A0A087Y6Y1_POEFO Loading...

Alpha-mannosidase

AlphaFold DB , UniProt , Accession A0A087Y6Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 989 aa.

						>A0A087Y6Y1_POEFO|A0A087Y6Y1
MAASCHCFVAGLLLLFSGVLSFPVGQEKRDATTCGYQSCHATKPTMLNVHLVPHTHDDVGWLKTVDQYFYGDRNNIQHAGVQYILDSVVDQLLKNPDRRFIYVETGFFYRWWKQQSSSMQQTVKQLVNQGRLEFVNGGWCMSDEATTHYSAVIDQMTIGLRFLNETFGICGRPRVAWHIDPFGHAREHASLFAQMGYDGFFFGRLDYQDRARRMNAKEQELLWRASDSLTPPMADLFTGILPNGYNPPEGFCWDQLCTDDPIRDDTDLEDYNVDDVVQRFLHAAKTQALVYKTNHIIMTMGSDFQYENANLWYKNLDKLIRYVNDQQGNGSNVNVLYSTPSCYLQELHQANLTWPLKTDDFFPYADSAHSFWTGYFTSRPALKRYERISNSNLQSCNQLEVLGGPVSRKGLFGQGDSETLRKAMAVAQHHDAVSGTEKQHVANDYAKRLAKGWQHCQVLVSNSLASLTGSSAERIYCDYLNVSVCPLTESSSKFSLSVYNPLGRSVTWPVRLPVNGTAYAVTDAQGKPVDCQVLPVSRATQEVRRSRGFAKNELVFQVRAPPLGYSSYSVSLLQDGPPSSSPQHQAPTSIQNKFLQVTFDPDTGLLSGLSNLETKQTIKLSQNFYWYNGSNGNNVESLQTSGAYIFRPNSSTPVMVSSKARVEIFQNSVVQEVRQWFTPWVSQVVRLYADSKAVELEWTVGPVPVSDEQGKEVITRLDTSIKTAELFYTDSNGREVLQRKKDFRPTWQLKKTEPIAGNYYPINSRAFIKDDTDQLTVVTDRSQGGASISNGSLEIMLHRRLLHDDYRGVGEALNEWSELFPDGLVVRGRLLLSLEPPATAADAHRPLAQQVVSQPLLSFTDGDLNPNTRLEFSGLQASLPPAVHLLTLSQWDQESVLLRLEHQFQSWESKASSQPVTVNLQKLFSTLDVLGVSELNLSANQWKDEMKRYDWSPEKEEKPLLKTFEDPSVWEITLRPMEIRTFLLRVTFK
					

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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	34.4	Very low	30.5	Very low	238 Å²	238	130.4 Å²	130.4	100%	1.172	82%	0.821	S	S	*	*				0	95.9	0	-72.5	-177.3	-105.4	0	0	105.8
2	A	29.1	Very low	30.5	Very low	104 Å²	104	134.7 Å²	134.7	86%	0.86	83%	0.832	S	S	*	*				62.2	127.2	94.7	0	0	0	0	0	110.1
3	A	30.3	Very low	30.5	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	83%	0.831	S	S	*	*			cis	-172.7	124.5	21.7	0	0	0	0	0	105.1
4	S	29.9	Very low	30.5	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	82%	0.824	S	S	*	*				56.5	118.7	97.3	63.4	0	0	0	0	117.4
5	C	28.9	Very low	30.5	Very low	108 Å²	108	136.6 Å²	136.6	73%	0.73	82%	0.817	S	S	*	*				171.7	115.9	126.1	-111.5	0	0	0	0	110.2
6	H	32.6	Very low	30.4	Very low	174 Å²	174	139.9 Å²	139.9	81%	0.806	82%	0.818	S	S	*	*				67.1	135.9	105	-70.4	-16.6	0	0	0	114.2
7	C	30.4	Very low	30.2	Very low	116 Å²	116	139 Å²	139	78%	0.784	82%	0.821	S	S	*	*			cis	-162.5	168.1	6.6	-129.4	0	0	0	0	108.6
8	F	29.1	Very low	30	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.864	82%	0.815	S	S	*	*			trans	-49.5	150.8	175.5	-90.1	-113.1	0	0	0	116.6
9	V	29.4	Very low	30	Very low	132 Å²	132	135.8 Å²	135.8	80%	0.8	82%	0.819	S	S	*	*				163.1	139.8	105.8	163.9	0	0	0	0	111.5
10	A	29.6	Very low	30	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	82%	0.821	S	S	*	*			trans	76.4	113.8	156.6	0	0	0	0	0	119.6
11	G	32.2	Very low	29.8	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	82%	0.822	S	S	*	*			trans	-79.8	162.1	172.9	0	0	0	0	0	114.3
12	L	29.6	Very low	29.5	Very low	182 Å²	182	133.9 Å²	133.9	95%	0.953	81%	0.805	S	S	*	*			trans	-150.7	138.5	147.7	-129.5	99.6	0	0	0	107.7
13	L	31.6	Very low	29.6	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	80%	0.803	S	S	*	*			trans	-67	158.5	178.2	-103.3	133.7	0	0	0	112.6
14	L	30.1	Very low	29.7	Very low	140 Å²	140	137.1 Å²	137.1	73%	0.733	81%	0.807	S	S	*	*			trans	95.7	107.1	148.3	-79.5	161	0	0	0	120.5
15	L	30	Very low	29.7	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	80%	0.801	S	S	*	*				136.1	115.8	120.7	-75	158.6	0	0	0	116.1
16	F	29.1	Very low	29.8	Very low	190 Å²	190	138.5 Å²	138.5	83%	0.833	81%	0.808	S	S	*	*			trans	57.7	120.3	133.4	-80.6	-106	0	0	0	122.9
17	S	27.4	Very low	29.8	Very low	124 Å²	124	139 Å²	139	87%	0.867	81%	0.81	S	S	*	*				173.7	144.6	116	55.4	0	0	0	0	107.1
18	G	26.8	Very low	30	Very low	70 Å²	70	142.2 Å²	142.2	72%	0.722	81%	0.811	S	S	*	*			cis	-176.3	147.6	-5.8	0	0	0	0	0	105.8
19	V	30	Very low	30.5	Very low	147 Å²	147	144.5 Å²	144.5	89%	0.891	81%	0.814	S	S	*	*			trans	-136.1	136.4	164.5	-176.5	0	0	0	0	108.3
20	L	29.8	Very low	31.6	Very low	165 Å²	165	142.8 Å²	142.8	86%	0.864	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-53.9	132.1	-166.8	-71.7	135.5	0	0	0	114.6
21	S	25.4	Very low	33.1	Very low	119 Å²	119	142 Å²	142	83%	0.832	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78	124.2	172.6	-40.7	0	0	0	0	111.1
22	F	28.2	Very low	35.3	Very low	185 Å²	185	142.1 Å²	142.1	81%	0.811	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94.9	146.9	151	-83.4	-88.8	0	0	0	108.3	V24	F22-V24 PolarHBondContact O-N 3.45Å
23	P	31.2	Very low	38	Very low	126 Å²	126	136.3 Å²	136.3	82%	0.818	75%	0.752	S	S	*	*			trans	-75.4	94.7	-177.1	31.3	-30.3	0	0	0	108.7	G25	P23-G25 PolarHBondContact O-N 3.01Å; P23-G25 VanDerWaalsContact O-N 3.11Å
24	V	31.7	Very low	40.9	Very low	132 Å²	132	129.7 Å²	129.7	80%	0.8	72%	0.719	S	S	*	*			trans	-68.8	104.1	158.4	178.3	0	0	0	0	105.1	F22 Q26	F22-V24 PolarHBondContact O-N 3.45Å; V24-Q26 PolarHBondContact O-N 2.77Å
25	G	29.8	Very low	43.8	Very low	63 Å²	63	124 Å²	124	65%	0.649	69%	0.694	S	S	*	*			trans	-50.9	117.4	160.5	0	0	0	0	0	107.1	P23 E27	P23-G25 PolarHBondContact O-N 3.01Å; P23-G25 VanDerWaalsContact O-N 3.11Å; G25-E27 PolarHBondContact O-N 3.01Å
26	Q	31.3	Very low	46.9	Very low	187 Å²	187	119.3 Å²	119.3	87%	0.874	67%	0.667	S	S	*	*			trans	-58.6	97.1	163.9	-84.1	175.3	-47.2	0	0	106.6	V24 K28	V24-Q26 PolarHBondContact O-N 2.77Å; Q26-K28 VanDerWaalsContact C-N 3.32Å; Q26-K28 PolarHBondContact O-N 2.97Å
27	E	34	Very low	50	Low	183 Å²	183	117.6 Å²	117.6	86%	0.855	66%	0.661	S	S	*	*			trans	-55.5	109.6	148.9	-83.3	-173.9	162.6	0	0	105.2	G25 R29	G25-E27 PolarHBondContact O-N 3.01Å; E27-R29 PolarHBondContact O-N 2.79Å
28	K	33.7	Very low	53.3	Low	185 Å²	185	112.2 Å²	112.2	80%	0.804	62%	0.624	S	S	*	*			trans	-50	112.8	162.6	-80.5	178.3	173.9	179.1	0	105.4	Q26 D30	Q26-K28 VanDerWaalsContact C-N 3.32Å; Q26-K28 PolarHBondContact O-N 2.97Å; K28-D30 PolarHBondContact O-N 2.86Å
29	R	40.5	Very low	56.6	Low	245 Å²	245	110.2 Å²	110.2	93%	0.925	60%	0.599	S	S	*	*			trans	-60.1	96.6	159.4	-80.1	-178.2	174.2	-179.9	-2.5	105.2	E27 A31	E27-R29 PolarHBondContact O-N 2.79Å; R29-A31 PolarHBondContact O-N 3.19Å; R29-A31 VanDerWaalsContact O-N 3.07Å
30	D	51.7	Low	59.8	Low	96 Å²	96	105.3 Å²	105.3	51%	0.513	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-51.5	117.7	168.6	-88.7	-6.2	0	0	0	106.5	K28 T32 Q125	K28-D30 PolarHBondContact O-N 2.86Å; D30-T32 PolarHBondContact O-N 2.95Å; D30-Q125 PolarHBondContact OD2-NE2 3.17Å
31	A	60.4	Low	63	Low	80 Å²	80	101.9 Å²	101.9	66%	0.661	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.5	178.8	0	0	0	0	0	108.3	R29 T33	R29-A31 PolarHBondContact O-N 3.19Å; R29-A31 VanDerWaalsContact O-N 3.07Å; A31-T33 HydrophobicContact CB-CG2 4.5Å; A31-T33 PolarHBondContact O-N 3.38Å
32	T	78.8	Confident	66.5	Low	73 Å²	73	97.8 Å²	97.8	45%	0.448	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-70.3	119.1	175.7	-50.8	0	0	0	0	109	D30 N128 C170	D30-T32 PolarHBondContact O-N 2.95Å; T32-N128 HydrophobicContact CG2-CB 4.33Å; T32-C170 WeakPolarHBondContact CG2-SG 2.85Å
33	T	87.6	Confident	69.8	Low	59 Å²	59	92.8 Å²	92.8	36%	0.362	51%	0.509	S	S	.	.			trans	-129.6	37.7	-174.3	59	0	0	0	0	111.8	A31 Q37 S38 N128	A31-T33 HydrophobicContact CB-CG2 4.5Å; A31-T33 PolarHBondContact O-N 3.38Å; T33-Q37 CarbonylContact O-C 3.53Å; T33-S38 WeakPolarHBondContact O-CA 3.31Å; T33-S38 WeakPolarHBondContact O-CB 2.99Å; T33-S38 PolarHBondContact O-N 2.95Å; T33-S38 PolarHBondContact O-OG 2.84Å; T33-N128 PolarHBondContact N-O 3.33Å
34	C	90.9	Very high	72.8	Confident	18 Å²	18	92 Å²	92	12%	0.122	50%	0.504	C	S	.	.			trans	-87.1	177	-175.1	67.1	0	0	0	0	113.9	Q37 S38 V127 N128 C170	C34-Q37 PolarHBondContact O-N 3.17Å; C34-S38 VanDerWaalsContact C-OG 3.26Å; C34-S38 WeakPolarHBondContact CA-OG 3.49Å; C34-V127 WeakPolarHBondContact CB-O 3.42Å; C34-N128 PolarHBondContact N-O 2.85Å; C34-C170 HydrophobicContact CB-CB 3.6Å; C34-C170 WeakPolarHBondContact CB-SG 2.95Å; C34-C170 WeakPolarHBondContact SG-CA 3.42Å; C34-C170 WeakPolarHBondContact SG-CB 3.49Å; C34-C170 CovalentContact SG-SG 2.03Å; C34-C170 PolarHBondContact SG-SG 3.15Å
35	G	91.4	Very high	75.8	Confident	19 Å²	19	91.3 Å²	91.3	20%	0.196	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	62	-135.2	179.6	0	0	0	0	0	112.1	Q37 S38	G35-Q37 PolarHBondContact O-N 3.47Å; G35-Q37 VanDerWaalsContact O-N 3.11Å; G35-S38 PolarHBondContact N-OG 2.92Å; G35-S38 VanDerWaalsContact N-OG 3.1Å; G35-S38 PolarHBondContact O-N 3.42Å; G35-S38 VanDerWaalsContact O-N 3.1Å; G35-S38 PolarHBondContact O-OG 3.14Å
36	Y	95.1	Very high	79	Confident	39 Å²	39	90 Å²	90	15%	0.153	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-63.5	-16.3	179.5	-61.8	-49.9	0	0	0	114.7	R174 D198 S341 Q345 Y949	Y36-R174 HydrophobicContact CE2-CG 4.23Å; Y36-D198 WeakPolarHBondContact OH-CB 3.44Å; Y36-D198 PolarHBondContact OH-OD2 3.24Å; Y36-S341 VanDerWaalsContact CE1-O 3.32Å; Y36-S341 WeakPolarHBondContact CE1-O 3.46Å; Y36-Q345 HydrophobicContact CD1-CB 3.77Å; Y36-Q345 HydrophobicContact CD1-CG 4.2Å; Y36-Q345 HydrophobicContact CE1-CB 4.05Å; Y36-Q345 PolarHBondContact O-NE2 3.27Å; Y36-Q345 PolarHBondContact O-OE1 3.48Å; Y36-Y949 WeakPolarHBondContact CD1-OH 3.49Å; Y36-Y949 AromaticContact CD2-CZ 3.91Å; Y36-Y949 WeakPolarHBondContact CD2-OH 3.37Å; Y36-Y949 AromaticContact CE1-CE2 3.75Å; Y36-Y949 HydrophobicContact CE1-CE2 3.75Å; Y36-Y949 AromaticContact CE1-CZ 3.93Å; Y36-Y949 WeakPolarHBondContact CE1-OH 3.49Å; Y36-Y949 HydrophobicContact CE2-CE1 4.14Å; Y36-Y949 AromaticContact CE2-CE2 3.86Å; Y36-Y949 HydrophobicContact CE2-CE2 3.86Å; Y36-Y949 AromaticContact CE2-CZ 3.51Å; Y36-Y949 VanDerWaalsContact CE2-OH 3.28Å; Y36-Y949 WeakPolarHBondContact CE2-OH 3.35Å; Y36-Y949 VanDerWaalsContact CG-OH 3.28Å; Y36-Y949 AromaticContact CZ-CE2 3.38Å; Y36-Y949 AromaticContact CZ-CZ 3.52Å; Y36-Y949 VanDerWaalsContact OH-CE2 3.3Å; Y36-Y949 WeakPolarHBondContact OH-CE2 3.31Å
37	Q	94.8	Very high	82.2	Confident	154 Å²	154	82.1 Å²	82.1	72%	0.72	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-84.5	-16	177.9	-63.8	175.7	-11.3	0	0	112.7	T33 C34 G35	T33-Q37 CarbonylContact O-C 3.53Å; C34-Q37 PolarHBondContact O-N 3.17Å; G35-Q37 PolarHBondContact O-N 3.47Å; G35-Q37 VanDerWaalsContact O-N 3.11Å
38	S	95.3	Very high	85.3	Confident	11 Å²	11	73.4 Å²	73.4	8%	0.077	40%	0.401	C	S	.	.	S	Bend	trans	-87.7	-2.6	177.9	30.9	0	0	0	0	114.5	T33 C34 G35 H40 R99 Q129	T33-S38 WeakPolarHBondContact O-CA 3.31Å; T33-S38 WeakPolarHBondContact O-CB 2.99Å; T33-S38 PolarHBondContact O-N 2.95Å; T33-S38 PolarHBondContact O-OG 2.84Å; C34-S38 VanDerWaalsContact C-OG 3.26Å; C34-S38 WeakPolarHBondContact CA-OG 3.49Å; G35-S38 PolarHBondContact N-OG 2.92Å; G35-S38 VanDerWaalsContact N-OG 3.1Å; G35-S38 PolarHBondContact O-N 3.42Å; G35-S38 VanDerWaalsContact O-N 3.1Å; G35-S38 PolarHBondContact O-OG 3.14Å; S38-H40 PolarHBondContact O-N 3.41Å; S38-R99 PolarHBondContact O-NH2 2.91Å; S38-Q129 WeakPolarHBondContact CB-O 3.37Å
39	C	97.6	Very high	88.4	Confident	29 Å²	29	64.6 Å²	64.6	20%	0.196	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-69.1	132.9	-172.9	-61	0	0	0	0	111.5	C342 Q345	C39-C342 WeakPolarHBondContact CA-SG 3.49Å; C39-C342 HydrophobicContact CB-CB 3.71Å; C39-C342 WeakPolarHBondContact CB-SG 2.81Å; C39-C342 WeakPolarHBondContact SG-CA 3.49Å; C39-C342 WeakPolarHBondContact SG-CB 3.32Å; C39-C342 CovalentContact SG-SG 2.04Å; C39-C342 PolarHBondContact SG-SG 3.25Å; C39-Q345 PolarHBondContact SG-OE1 3.2Å
40	H	97.5	Very high	91.2	Very high	44 Å²	44	53 Å²	53	20%	0.204	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.8	148.2	174.2	-64.9	111.2	0	0	0	110.4	S38 T42 D97 R99 L336 Y337	S38-H40 PolarHBondContact O-N 3.41Å; H40-T42 PolarHBondContact O-N 3.3Å; H40-D97 PolarHBondContact CE1-O 2.84Å; H40-D97 IonicContact NE2-OD1 3.74Å; H40-R99 PolarHBondContact CE1-NH1 3.34Å; H40-R99 PolarHBondContact CE1-NH2 3.31Å; H40-R99 PolarHBondContact NE2-NH1 2.71Å; H40-R99 PolarHBondContact NE2-NH2 2.91Å; H40-L336 HydrophobicContact CB-CD1 3.86Å; H40-Y337 PolarHBondContact ND1-O 2.86Å
41	A	96.7	Very high	93.5	Very high	93 Å²	93	48.4 Å²	48.4	77%	0.769	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-63.1	132.7	177.2	0	0	0	0	0	111.4
42	T	97.8	Very high	95.3	Very high	32 Å²	32	44.6 Å²	44.6	20%	0.196	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-92.7	168.2	172.9	59.6	0	0	0	0	110.9	H40 N48 L336 E346	H40-T42 PolarHBondContact O-N 3.3Å; T42-N48 HydrophobicContact CG2-CB 4.48Å; T42-L336 HydrophobicContact CG2-CD1 4.37Å; T42-E346 HydrophobicContact CG2-CG 3.98Å; T42-E346 WeakPolarHBondContact CG2-OE2 3.34Å; T42-E346 PolarHBondContact OG1-OE2 2.68Å
43	K	97.5	Very high	96.2	Very high	81 Å²	81	41.1 Å²	41.1	35%	0.352	24%	0.241	S	C	.	.			trans	-111.3	106.8	176.3	-68.4	-170.5	-176.8	-171.3	0	109.7	T45 M46 N48 N334	K43-T45 VanDerWaalsContact C-N 3.27Å; K43-T45 PolarHBondContact O-N 3.41Å; K43-T45 VanDerWaalsContact O-N 3.1Å; K43-M46 HydrophobicContact CB-CB 3.94Å; K43-M46 HydrophobicContact CB-CG 3.91Å; K43-M46 HydrophobicContact CB-SD 3.99Å; K43-M46 HydrophobicContact CD-CE 4.16Å; K43-M46 HydrophobicContact CD-CG 4.43Å; K43-M46 HydrophobicContact CD-SD 3.41Å; K43-M46 WeakPolarHBondContact CD-SD 2.89Å; K43-M46 HydrophobicContact CG-SD 4.32Å; K43-M46 PolarHBondContact O-N 3.07Å; K43-N48 PolarHBondContact N-OD1 2.73Å; K43-N48 PolarHBondContact O-ND2 3.1Å; K43-N334 HydrophobicContact CB-CB 4.22Å; K43-N334 HydrophobicContact CD-CB 4.11Å; K43-N334 WeakPolarHBondContact CE-OD1 3.5Å; K43-N334 HydrophobicContact CG-CB 4.29Å
44	P	94.4	Very high	96.8	Very high	110 Å²	110	38.3 Å²	38.3	71%	0.714	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.1	-168.2	-29.8	35.5	0	0	0	116.1	N294	P44-N294 PolarHBondContact O-ND2 2.89Å
45	T	94.7	Very high	97.1	Very high	117 Å²	117	37.5 Å²	37.5	72%	0.718	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.6	-177.8	60.4	0	0	0	0	113.7	K43 N332	K43-T45 VanDerWaalsContact C-N 3.27Å; K43-T45 PolarHBondContact O-N 3.41Å; K43-T45 VanDerWaalsContact O-N 3.1Å; T45-N332 PolarHBondContact O-ND2 3.13Å; T45-N332 PolarHBondContact O-OD1 3.41Å
46	M	98.1	Very high	97.5	Very high	34 Å²	34	36.6 Å²	36.6	17%	0.167	21%	0.209	C	C	.	.	S	Bend	trans	-107.7	161.9	-176.9	-60.2	-167.9	171	0	0	111.2	K43 N48 N294 Q327 N332 N334	K43-M46 HydrophobicContact CB-CB 3.94Å; K43-M46 HydrophobicContact CB-CG 3.91Å; K43-M46 HydrophobicContact CB-SD 3.99Å; K43-M46 HydrophobicContact CD-CE 4.16Å; K43-M46 HydrophobicContact CD-CG 4.43Å; K43-M46 HydrophobicContact CD-SD 3.41Å; K43-M46 WeakPolarHBondContact CD-SD 2.89Å; K43-M46 HydrophobicContact CG-SD 4.32Å; K43-M46 PolarHBondContact O-N 3.07Å; M46-N48 PolarHBondContact O-N 2.8Å; M46-N48 PolarHBondContact O-ND2 2.84Å; M46-N294 PolarHBondContact O-ND2 3.31Å; M46-Q327 HydrophobicContact CE-CB 4.5Å; M46-Q327 HydrophobicContact CE-CG 4.33Å; M46-Q327 HydrophobicContact SD-CG 4.24Å; M46-N332 WeakPolarHBondContact CA-O 3.15Å; M46-N332 WeakPolarHBondContact CB-O 3.36Å; M46-N332 WeakPolarHBondContact CG-OD1 3.42Å; M46-N334 HydrophobicContact CB-CB 4.19Å; M46-N334 HydrophobicContact SD-CB 4.16Å
47	L	98.6	Very high	97.7	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.115	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.4	162.3	174.5	62.9	0	0	0	108.5	V49 A284 A288 N294 I296 N332 V333 N334	L47-V49 HydrophobicContact CD2-CG2 4.49Å; L47-V49 HydrophobicContact CG-CG2 4.25Å; L47-A284 HydrophobicContact CD2-CB 4.27Å; L47-A288 HydrophobicContact CD1-CB 3.75Å; L47-A288 HydrophobicContact CD2-CB 3.85Å; L47-A288 HydrophobicContact CG-CB 4.48Å; L47-N294 CarbonylContact C-O 3.44Å; L47-N294 WeakPolarHBondContact CA-O 3.29Å; L47-I296 HydrophobicContact CD1-CD1 4.4Å; L47-I296 HydrophobicContact CD1-CG1 4.22Å; L47-I296 HydrophobicContact CD1-CG2 4.16Å; L47-I296 HydrophobicContact CD2-CD1 4.42Å; L47-N332 PolarHBondContact N-O 3.13Å; L47-V333 HydrophobicContact CB-CG2 4.43Å; L47-V333 HydrophobicContact CD2-CG2 4.29Å; L47-V333 WeakPolarHBondContact O-CA 3.19Å; L47-N334 PolarHBondContact O-N 3.3Å
48	N	98.9	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.6	177.5	-65.5	-77.7	0	0	0	110.1	T42 K43 M46 N294 H295 I296 N334 L336	T42-N48 HydrophobicContact CG2-CB 4.48Å; K43-N48 PolarHBondContact N-OD1 2.73Å; K43-N48 PolarHBondContact O-ND2 3.1Å; M46-N48 PolarHBondContact O-N 2.8Å; M46-N48 PolarHBondContact O-ND2 2.84Å; N48-N294 PolarHBondContact N-O 2.91Å; N48-H295 PolarHBondContact ND2-CE1 2.88Å; N48-H295 WeakPolarHBondContact O-CA 3.27Å; N48-I296 PolarHBondContact O-N 2.92Å; N48-N334 CarbonylContact C-O 3.55Å; N48-N334 WeakPolarHBondContact CA-O 3.3Å; N48-N334 PolarHBondContact OD1-ND2 2.96Å; N48-L336 HydrophobicContact CB-CD2 4.35Å
49	V	98.8	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.3	-179.7	-171.2	0	0	0	0	108.9	L47 L51 F280 A284 I296 M298 V333 N334 V335 L336	L47-V49 HydrophobicContact CD2-CG2 4.49Å; L47-V49 HydrophobicContact CG-CG2 4.25Å; V49-L51 HydrophobicContact CG1-CD2 4.05Å; V49-L51 PolarHBondContact O-N 3.21Å; V49-F280 HydrophobicContact CG1-CE1 4.41Å; V49-F280 HydrophobicContact CG1-CZ 3.86Å; V49-A284 HydrophobicContact CG2-CB 3.93Å; V49-I296 HydrophobicContact CB-CG1 4.27Å; V49-I296 HydrophobicContact CG1-CD1 4.21Å; V49-I296 HydrophobicContact CG1-CG1 4.1Å; V49-I296 HydrophobicContact CG2-CD1 3.98Å; V49-I296 HydrophobicContact CG2-CG1 4Å; V49-M298 HydrophobicContact CG1-CE 4.09Å; V49-M298 HydrophobicContact CG1-CG 4.01Å; V49-M298 HydrophobicContact CG1-SD 3.51Å; V49-M298 VanDerWaalsContact CG1-SD 3.51Å; V49-V333 HydrophobicContact CG2-CG1 3.76Å; V49-N334 PolarHBondContact N-O 2.7Å; V49-V335 HydrophobicContact CB-CG1 4.41Å; V49-V335 HydrophobicContact CB-CG2 4.36Å; V49-L336 WeakPolarHBondContact O-CD2 3.43Å; V49-L336 PolarHBondContact O-N 3.35Å; V49-L336 VanDerWaalsContact O-N 3.11Å
50	H	98.8	Very high	98.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	100.5	179.6	-66.8	-101.8	0	0	0	109.2	H295 I296 M298 S338 Y343	H50-H295 AromaticContact CE1-ND1 3.99Å; H50-H295 AromaticContact NE2-CG 3.84Å; H50-H295 AromaticContact NE2-ND1 3.04Å; H50-H295 PolarHBondContact NE2-ND1 3.44Å; H50-I296 WeakPolarHBondContact CB-O 3.26Å; H50-I296 PolarHBondContact CD2-O 2.87Å; H50-I296 PolarHBondContact N-O 3.2Å; H50-M298 PolarHBondContact O-N 2.67Å; H50-S338 WeakPolarHBondContact ND1-CB 3.41Å; H50-S338 PolarHBondContact ND1-OG 3.02Å; H50-Y343 HydrophobicContact CB-CD2 4.44Å; H50-Y343 AromaticContact CD2-CD2 3.77Å
51	L	98.9	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121	172.8	-58.4	-172.1	0	0	0	109.1	V49 P53 F280 M298 M300 L316 L319 I320 V335 L336 S338	V49-L51 HydrophobicContact CG1-CD2 4.05Å; V49-L51 PolarHBondContact O-N 3.21Å; L51-P53 VanDerWaalsContact O-CD 3.31Å; L51-P53 WeakPolarHBondContact O-CD 3.42Å; L51-F280 HydrophobicContact CD2-CE2 4.25Å; L51-F280 HydrophobicContact CD2-CZ 4.04Å; L51-M298 HydrophobicContact CD2-CB 3.96Å; L51-M298 HydrophobicContact CD2-SD 4.2Å; L51-M300 HydrophobicContact CB-CG 3.99Å; L51-M300 HydrophobicContact CD2-CG 4.12Å; L51-M300 HydrophobicContact CD2-SD 4.03Å; L51-L316 HydrophobicContact CD1-CD2 3.93Å; L51-L319 HydrophobicContact CD1-CD2 4.08Å; L51-I320 HydrophobicContact CD1-CD1 4.2Å; L51-I320 HydrophobicContact CD1-CG1 3.89Å; L51-V335 HydrophobicContact CD1-CG1 3.54Å; L51-V335 HydrophobicContact CD2-CG1 4.2Å; L51-V335 HydrophobicContact CG-CG1 3.68Å; L51-L336 WeakPolarHBondContact CB-O 3.24Å; L51-L336 PolarHBondContact N-O 2.97Å; L51-S338 PolarHBondContact O-N 2.92Å
52	V	98.8	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	93.7	-176.8	179.1	0	0	0	0	109.7	H54 I101 I297 M298 M300 P340	V52-H54 PolarHBondContact O-N 2.96Å; V52-I101 HydrophobicContact CG1-CD1 3.53Å; V52-I101 HydrophobicContact CG1-CG1 4.04Å; V52-I101 HydrophobicContact CG1-CG2 4.22Å; V52-I297 HydrophobicContact CG2-CD1 3.95Å; V52-I297 HydrophobicContact CG2-CG1 3.82Å; V52-M298 PolarHBondContact N-O 3.02Å; V52-M300 PolarHBondContact O-N 2.92Å; V52-P340 HydrophobicContact CG1-CG 4.01Å
53	P	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	126.9	171.2	-28.5	40.6	0	0	0	111.8	L51 R99 F100 I101 Y306 L316 Y337	L51-P53 VanDerWaalsContact O-CD 3.31Å; L51-P53 WeakPolarHBondContact O-CD 3.42Å; P53-R99 VanDerWaalsContact CB-O 3.3Å; P53-R99 WeakPolarHBondContact CB-O 3.22Å; P53-R99 WeakPolarHBondContact CG-O 3.46Å; P53-F100 HydrophobicContact CB-CD2 3.67Å; P53-F100 HydrophobicContact CB-CE2 4.21Å; P53-I101 PolarHBondContact O-N 2.74Å; P53-Y306 HydrophobicContact CB-CE1 4.16Å; P53-Y306 WeakPolarHBondContact CB-OH 3.5Å; P53-L316 HydrophobicContact CG-CD1 4.17Å; P53-Y337 HydrophobicContact CG-CD1 3.96Å; P53-Y337 HydrophobicContact CG-CE1 4.01Å
54	H	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-149.2	168.1	176.5	74.5	95.6	0	0	0	111.6	V52 I101 Y245 T299 G301 Y306	V52-H54 PolarHBondContact O-N 2.96Å; H54-I101 HydrophobicContact CB-CD1 3.8Å; H54-I101 HydrophobicContact CB-CG1 3.44Å; H54-I101 VanDerWaalsContact CB-CG1 3.44Å; H54-Y245 PolarHBondContact CE1-O 2.66Å; H54-Y245 PolarHBondContact NE2-O 3.29Å; H54-Y245 VanDerWaalsContact NE2-O 3.1Å; H54-T299 WeakPolarHBondContact NE2-CB 3.45Å; H54-G301 PolarHBondContact NE2-O 2.93Å; H54-G301 VanDerWaalsContact O-CA 3.29Å; H54-G301 WeakPolarHBondContact O-CA 3.32Å; H54-Y306 WeakPolarHBondContact O-CD2 3.47Å; H54-Y306 WeakPolarHBondContact O-CE2 3.4Å
55	T	98.7	Very high	98.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.			trans	-124.4	149.9	163.1	-176.4	0	0	0	0	107.9	D57 I84 F100 Y102 Q305	T55-D57 VanDerWaalsContact CG2-OD1 3.28Å; T55-D57 WeakPolarHBondContact CG2-OD1 3.33Å; T55-D57 WeakPolarHBondContact CG2-OD2 3.24Å; T55-D57 PolarHBondContact OG1-OD1 3.26Å; T55-I84 HydrophobicContact CG2-CG2 3.96Å; T55-F100 HydrophobicContact CG2-CE1 4.22Å; T55-F100 HydrophobicContact CG2-CZ 4.01Å; T55-Y102 HydrophobicContact CG2-CD2 4.12Å; T55-Y102 HydrophobicContact CG2-CE2 3.84Å; T55-Q305 PolarHBondContact OG1-N 3.17Å; T55-Q305 PolarHBondContact OG1-O 3.03Å
56	H	98.6	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-106.6	110.4	166.1	-173.7	46.9	0	0	0	109.3	D58 E104 I179 D180 S302 D303 F304 H430	H56-D58 IonicContact CE1-OD1 2.78Å; H56-D58 IonicContact NE2-OD1 3.52Å; H56-D58 PolarHBondContact NE2-OD1 2.88Å; H56-E104 IonicContact ND1-OE1 3.98Å; H56-I179 HydrophobicContact CB-CD1 4.07Å; H56-D180 WeakPolarHBondContact NE2-CB 3.38Å; H56-D180 IonicContact NE2-OD2 2.82Å; H56-S302 PolarHBondContact N-O 2.57Å; H56-S302 VanDerWaalsContact N-O 3.1Å; H56-D303 IonicContact CD2-OD1 3.82Å; H56-D303 WeakPolarHBondContact O-CA 3.39Å; H56-F304 PolarHBondContact O-N 3.49Å; H56-H430 AromaticContact CE1-CE1 3.5Å; H56-H430 PolarHBondContact CE1-CE1 3.3Å; H56-H430 VanDerWaalsContact CE1-CE1 3.5Å; H56-H430 AromaticContact CE1-NE2 3.93Å; H56-H430 AromaticContact NE2-CE1 3.6Å; H56-H430 AromaticContact NE2-NE2 3.55Å
57	D	98.8	Very high	98.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.			trans	-110.7	92.4	-173.7	-63.7	-17	0	0	0	110.5	T55 V59 V81 I84 Y102 E104 F107 F304	T55-D57 VanDerWaalsContact CG2-OD1 3.28Å; T55-D57 WeakPolarHBondContact CG2-OD1 3.33Å; T55-D57 WeakPolarHBondContact CG2-OD2 3.24Å; T55-D57 PolarHBondContact OG1-OD1 3.26Å; D57-V59 PolarHBondContact O-N 2.95Å; D57-V81 HydrophobicContact CB-CG2 4.07Å; D57-V81 WeakPolarHBondContact OD2-CG1 3.46Å; D57-I84 WeakPolarHBondContact OD1-CD1 3.44Å; D57-Y102 WeakPolarHBondContact OD2-CE2 3.33Å; D57-Y102 PolarHBondContact OD2-OH 2.79Å; D57-E104 WeakPolarHBondContact O-CG 3.46Å; D57-F107 HydrophobicContact CB-CD2 3.87Å; D57-F107 HydrophobicContact CB-CE2 4.05Å; D57-F107 WeakPolarHBondContact O-CE2 3.34Å; D57-F304 HydrophobicContact CB-CD1 4.48Å; D57-F304 HydrophobicContact CB-CE1 4.16Å
58	D	98.8	Very high	98.7	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.033	C	C	.	.			trans	-58.5	129.2	179.1	-69.2	-52.7	0	0	0	112.9	H56 G60 W61 F107 F304 H429 H430	H56-D58 IonicContact CE1-OD1 2.78Å; H56-D58 IonicContact NE2-OD1 3.52Å; H56-D58 PolarHBondContact NE2-OD1 2.88Å; D58-G60 PolarHBondContact O-N 2.93Å; D58-W61 HydrophobicContact CB-CB 3.92Å; D58-W61 VanDerWaalsContact OD2-CE3 3.31Å; D58-F107 VanDerWaalsContact O-CE2 3.26Å; D58-F107 WeakPolarHBondContact O-CE2 3.39Å; D58-F107 WeakPolarHBondContact O-CZ 3.14Å; D58-F304 HydrophobicContact CB-CE2 4.13Å; D58-F304 HydrophobicContact CB-CZ 3.84Å; D58-H429 IonicContact OD1-CE1 2.73Å; D58-H429 PolarHBondContact OD1-CE1 2.85Å; D58-H429 VanDerWaalsContact OD1-CE1 3.23Å; D58-H429 IonicContact OD1-NE2 2.77Å; D58-H429 PolarHBondContact OD1-NE2 3.19Å; D58-H430 IonicContact OD1-CE1 3.1Å; D58-H430 PolarHBondContact OD1-CE1 3.31Å; D58-H430 IonicContact OD1-NE2 3.17Å; D58-H430 PolarHBondContact OD1-NE2 3Å; D58-H430 VanDerWaalsContact OD1-NE2 3.15Å
59	V	98.7	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-80.5	52.1	177.3	-163	0	0	0	0	110.1	D57 V65 E104 F107 C140 V426 H429 Y445	D57-V59 PolarHBondContact O-N 2.95Å; V59-V65 HydrophobicContact CG1-CG1 3.66Å; V59-V65 HydrophobicContact CG1-CG2 4.11Å; V59-V65 WeakPolarHBondContact O-CG2 3.23Å; V59-E104 HydrophobicContact CG2-CB 4Å; V59-E104 HydrophobicContact CG2-CG 3.75Å; V59-F107 HydrophobicContact CB-CE2 4.37Å; V59-F107 HydrophobicContact CG2-CD2 4.29Å; V59-F107 HydrophobicContact CG2-CE2 4.03Å; V59-C140 HydrophobicContact CB-CB 4.14Å; V59-C140 HydrophobicContact CG2-CB 3.62Å; V59-V426 HydrophobicContact CG1-CB 4.48Å; V59-V426 HydrophobicContact CG1-CG1 4.18Å; V59-V426 HydrophobicContact CG1-CG2 3.98Å; V59-H429 HydrophobicContact CB-CB 4.2Å; V59-H429 PolarHBondContact N-CE1 3.48Å; V59-Y445 PolarHBondContact O-OH 3.03Å
60	G	98.6	Very high	98.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	95.9	130.6	-173	0	0	0	0	0	112.7	D58 K63 H429 Y445	D58-G60 PolarHBondContact O-N 2.93Å; G60-K63 VanDerWaalsContact CA-O 3.28Å; G60-K63 WeakPolarHBondContact CA-O 3.08Å; G60-H429 PolarHBondContact O-CD2 2.88Å; G60-H429 PolarHBondContact O-NE2 3.4Å; G60-Y445 WeakPolarHBondContact CA-OH 3.21Å; G60-Y445 PolarHBondContact O-OH 2.86Å
61	W	98.8	Very high	98.6	Very high	23 Å²	23	13 Å²	13	9%	0.087	6%	0.063	C	C	.	.	S	Bend	trans	-162.4	-79.5	178.7	170.9	44.2	0	0	0	110.2	D58 K63 Y68 D431 T436 E437 K438 V441 Y644	D58-W61 HydrophobicContact CB-CB 3.92Å; D58-W61 VanDerWaalsContact OD2-CE3 3.31Å; W61-K63 PolarHBondContact N-O 2.9Å; W61-K63 VanDerWaalsContact N-O 3.08Å; W61-Y68 HydrophobicContact CB-CE2 4.47Å; W61-D431 HydrophobicContact CB-CB 4.02Å; W61-D431 HydrophobicContact CG-CB 4.18Å; W61-T436 PolarHBondContact NE1-O 3.12Å; W61-E437 WeakPolarHBondContact O-CA 3.1Å; W61-E437 WeakPolarHBondContact O-CB 3.48Å; W61-K438 PolarHBondContact O-N 3.26Å; W61-V441 WeakPolarHBondContact O-CG2 3.08Å; W61-Y644 PolarHBondContact NE1-OH 2.85Å
62	L	98.8	Very high	98.5	Very high	15 Å²	15	17.4 Å²	17.4	8%	0.079	9%	0.086	C	C	.	.	S	Bend	trans	-85.1	-33.5	171	-47.7	-173.3	0	0	0	111.3	Y68 I76 Q77 K438 H440 G808	L62-Y68 VanDerWaalsContact CB-OH 3.29Å; L62-Y68 WeakPolarHBondContact CB-OH 3.44Å; L62-Y68 PolarHBondContact N-OH 3.21Å; L62-I76 HydrophobicContact CB-CG2 3.89Å; L62-Q77 HydrophobicContact CD1-CB 4.15Å; L62-Q77 HydrophobicContact CD1-CG 4.43Å; L62-K438 HydrophobicContact CB-CD 4.17Å; L62-K438 HydrophobicContact CD2-CD 4.35Å; L62-K438 HydrophobicContact CD2-CG 4.18Å; L62-K438 WeakPolarHBondContact O-CD 3.22Å; L62-H440 PolarHBondContact O-CE1 3.01Å; L62-H440 PolarHBondContact O-NE2 3.47Å; L62-G808 WeakPolarHBondContact CD2-O 3.19Å
63	K	98.7	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-114.7	163.2	173	-53.4	-168.9	-63.1	-173.4	0	110.1	G60 W61 Q67 Y68 D72 R73 N74 I76 Q77 A79 V441	G60-K63 VanDerWaalsContact CA-O 3.28Å; G60-K63 WeakPolarHBondContact CA-O 3.08Å; W61-K63 PolarHBondContact N-O 2.9Å; W61-K63 VanDerWaalsContact N-O 3.08Å; K63-Q67 HydrophobicContact CB-CB 3.87Å; K63-Y68 HydrophobicContact CB-CD1 4.12Å; K63-Y68 HydrophobicContact CB-CD2 3.77Å; K63-Y68 HydrophobicContact CB-CE1 3.99Å; K63-Y68 HydrophobicContact CB-CE2 3.63Å; K63-Y68 HydrophobicContact CB-CG 4Å; K63-Y68 HydrophobicContact CD-CD1 4.38Å; K63-Y68 HydrophobicContact CD-CE1 4.25Å; K63-Y68 HydrophobicContact CG-CD1 4.42Å; K63-Y68 HydrophobicContact CG-CE1 4.02Å; K63-Y68 HydrophobicContact CG-CE2 4.4Å; K63-Y68 VanDerWaalsContact N-CE2 3.3Å; K63-Y68 PolarHBondContact N-OH 2.97Å; K63-Y68 WeakPolarHBondContact O-CD2 3.24Å; K63-Y68 WeakPolarHBondContact O-CE2 3.32Å; K63-D72 VanDerWaalsContact CD-O 3.27Å; K63-D72 WeakPolarHBondContact CD-O 3.4Å; K63-D72 WeakPolarHBondContact CE-O 3.38Å; K63-D72 PolarHBondContact NZ-O 3.32Å; K63-R73 HydrophobicContact CD-CB 4.14Å; K63-R73 WeakPolarHBondContact CD-O 3.44Å; K63-N74 PolarHBondContact NZ-OD1 3.37Å; K63-I76 HydrophobicContact CD-CB 4.49Å; K63-I76 HydrophobicContact CG-CB 4.21Å; K63-I76 HydrophobicContact CG-CG2 4.19Å; K63-Q77 WeakPolarHBondContact CE-O 3.29Å; K63-Q77 PolarHBondContact NZ-O 2.82Å; K63-A79 PolarHBondContact NZ-O 2.88Å; K63-V441 VanDerWaalsContact C-CG2 3.41Å; K63-V441 WeakPolarHBondContact O-CG2 3.33Å
64	T	98.9	Very high	98.3	Very high	12 Å²	12	25.3 Å²	25.3	7%	0.074	12%	0.12	C	C	.	.			trans	-70.1	162.2	172.1	73.1	0	0	0	0	110.6	D66 Q67 Y68 V441 D444	T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 2.92Å; T64-Q67 PolarHBondContact O-N 2.86Å; T64-Q67 VanDerWaalsContact O-N 3.08Å; T64-Q67 VanDerWaalsContact OG1-CG 3.26Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.33Å; T64-Q67 PolarHBondContact OG1-N 3.46Å; T64-Q67 PolarHBondContact OG1-OE1 3.17Å; T64-Y68 PolarHBondContact O-N 3.15Å; T64-V441 HydrophobicContact CG2-CG2 4.36Å; T64-D444 HydrophobicContact CG2-CB 3.65Å
65	V	98.6	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-52.1	-47.3	179	-163.6	0	0	0	0	111.7	V59 Q67 Y68 F69 F107 V426 Y445	V59-V65 HydrophobicContact CG1-CG1 3.66Å; V59-V65 HydrophobicContact CG1-CG2 4.11Å; V59-V65 WeakPolarHBondContact O-CG2 3.23Å; V65-Q67 PolarHBondContact O-N 2.92Å; V65-Y68 PolarHBondContact O-N 2.85Å; V65-F69 PolarHBondContact O-N 3.22Å; V65-F107 HydrophobicContact CG1-CD1 4.39Å; V65-F107 HydrophobicContact CG1-CE1 3.53Å; V65-F107 HydrophobicContact CG1-CZ 3.71Å; V65-F107 VanDerWaalsContact O-CE1 3.29Å; V65-F107 WeakPolarHBondContact O-CE1 3.46Å; V65-V426 HydrophobicContact CG2-CG1 3.83Å; V65-Y445 HydrophobicContact CG2-CE1 4.25Å
66	D	98.6	Very high	98.1	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	17%	0.17	S	C	.	.	H	α-helix	trans	-75.2	-28.1	-175.9	-56.1	-28.2	0	0	0	111.7	T64 F69 Y70 R110 R448	T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 2.92Å; D66-F69 PolarHBondContact O-N 3Å; D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.48Å; D66-Y70 PolarHBondContact O-N 2.78Å; D66-Y70 VanDerWaalsContact O-N 3.1Å; D66-R110 IonicContact OD1-CZ 3.79Å; D66-R110 IonicContact OD1-NE 3.54Å; D66-R110 IonicContact OD1-NH2 2.74Å; D66-R110 PolarHBondContact OD1-NH2 2.81Å; D66-R448 IonicContact OD1-NH1 3.52Å; D66-R448 IonicContact OD1-NH2 2.63Å; D66-R448 PolarHBondContact OD1-NH2 2.82Å; D66-R448 IonicContact OD2-CZ 2.86Å; D66-R448 IonicContact OD2-NH1 2.63Å; D66-R448 IonicContact OD2-NH2 3.38Å; D66-R448 PolarHBondContact OD2-NH2 2.77Å
67	Q	98.8	Very high	98	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-42.9	173.9	-73.3	163.1	0.2	0	0	111.9	K63 T64 V65 F69 G71 D72	K63-Q67 HydrophobicContact CB-CB 3.87Å; T64-Q67 PolarHBondContact O-N 2.86Å; T64-Q67 VanDerWaalsContact O-N 3.08Å; T64-Q67 VanDerWaalsContact OG1-CG 3.26Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.33Å; T64-Q67 PolarHBondContact OG1-N 3.46Å; T64-Q67 PolarHBondContact OG1-OE1 3.17Å; V65-Q67 PolarHBondContact O-N 2.92Å; Q67-F69 VanDerWaalsContact C-N 3.33Å; Q67-G71 PolarHBondContact O-N 2.82Å; Q67-D72 HydrophobicContact CB-CB 4.4Å; Q67-D72 HydrophobicContact CG-CB 4.32Å; Q67-D72 PolarHBondContact O-N 3.08Å
68	Y	98.8	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-41.1	171.4	-81.4	-58.5	0	0	0	112.1	W61 L62 K63 T64 V65 Y70 Q77 A79 G80 V81 F304	W61-Y68 HydrophobicContact CB-CE2 4.47Å; L62-Y68 VanDerWaalsContact CB-OH 3.29Å; L62-Y68 WeakPolarHBondContact CB-OH 3.44Å; L62-Y68 PolarHBondContact N-OH 3.21Å; K63-Y68 HydrophobicContact CB-CD1 4.12Å; K63-Y68 HydrophobicContact CB-CD2 3.77Å; K63-Y68 HydrophobicContact CB-CE1 3.99Å; K63-Y68 HydrophobicContact CB-CE2 3.63Å; K63-Y68 HydrophobicContact CB-CG 4Å; K63-Y68 HydrophobicContact CD-CD1 4.38Å; K63-Y68 HydrophobicContact CD-CE1 4.25Å; K63-Y68 HydrophobicContact CG-CD1 4.42Å; K63-Y68 HydrophobicContact CG-CE1 4.02Å; K63-Y68 HydrophobicContact CG-CE2 4.4Å; K63-Y68 VanDerWaalsContact N-CE2 3.3Å; K63-Y68 PolarHBondContact N-OH 2.97Å; K63-Y68 WeakPolarHBondContact O-CD2 3.24Å; K63-Y68 WeakPolarHBondContact O-CE2 3.32Å; T64-Y68 PolarHBondContact O-N 3.15Å; V65-Y68 PolarHBondContact O-N 2.85Å; Y68-Y70 PolarHBondContact O-N 2.87Å; Y68-Q77 VanDerWaalsContact CE1-OE1 3.3Å; Y68-Q77 PolarHBondContact OH-OE1 3.21Å; Y68-A79 HydrophobicContact CD1-CB 3.58Å; Y68-A79 HydrophobicContact CE1-CB 3.72Å; Y68-G80 WeakPolarHBondContact O-CA 3.38Å; Y68-V81 PolarHBondContact O-N 2.93Å; Y68-F304 HydrophobicContact CD1-CD1 4.1Å; Y68-F304 HydrophobicContact CD1-CD2 4.45Å; Y68-F304 AromaticContact CD1-CE1 3.42Å; Y68-F304 HydrophobicContact CD1-CE1 3.42Å; Y68-F304 VanDerWaalsContact CD1-CE1 3.42Å; Y68-F304 AromaticContact CD1-CE2 3.85Å; Y68-F304 HydrophobicContact CD1-CE2 3.85Å; Y68-F304 AromaticContact CD1-CZ 3.26Å; Y68-F304 HydrophobicContact CD1-CZ 3.26Å; Y68-F304 HydrophobicContact CD2-CE1 4.49Å; Y68-F304 AromaticContact CD2-CZ 3.96Å; Y68-F304 HydrophobicContact CD2-CZ 3.96Å; Y68-F304 HydrophobicContact CE1-CD2 4.05Å; Y68-F304 AromaticContact CE1-CE1 3.91Å; Y68-F304 HydrophobicContact CE1-CE1 3.91Å; Y68-F304 AromaticContact CE1-CE2 3.4Å; Y68-F304 HydrophobicContact CE1-CE2 3.4Å; Y68-F304 AromaticContact CE1-CZ 3.29Å; Y68-F304 HydrophobicContact CE1-CZ 3.29Å; Y68-F304 HydrophobicContact CE2-CE2 4.45Å; Y68-F304 AromaticContact CE2-CZ 3.97Å; Y68-F304 HydrophobicContact CE2-CZ 3.97Å; Y68-F304 AromaticContact CG-CE1 3.77Å; Y68-F304 HydrophobicContact CG-CE1 3.77Å; Y68-F304 AromaticContact CG-CZ 3.63Å; Y68-F304 HydrophobicContact CG-CZ 3.63Å; Y68-F304 AromaticContact CZ-CE2 3.74Å; Y68-F304 AromaticContact CZ-CZ 3.66Å
69	F	98.8	Very high	97.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-49.3	179.1	-177.2	-99.8	0	0	0	112.5	V65 D66 Q67 Q82 F107 R110 W111 Q114	V65-F69 PolarHBondContact O-N 3.22Å; D66-F69 PolarHBondContact O-N 3Å; Q67-F69 VanDerWaalsContact C-N 3.33Å; F69-Q82 HydrophobicContact CE1-CB 4.33Å; F69-Q82 HydrophobicContact CE2-CB 4.27Å; F69-Q82 HydrophobicContact CZ-CB 4.04Å; F69-Q82 WeakPolarHBondContact O-CG 3.38Å; F69-Q82 PolarHBondContact O-N 3.08Å; F69-F107 HydrophobicContact CB-CD1 4.14Å; F69-F107 HydrophobicContact CB-CE1 3.94Å; F69-F107 AromaticContact CD2-CD1 3.9Å; F69-F107 HydrophobicContact CD2-CD1 3.9Å; F69-F107 HydrophobicContact CG-CD1 4.48Å; F69-R110 HydrophobicContact CD2-CB 4.11Å; F69-R110 HydrophobicContact CE2-CB 3.73Å; F69-R110 HydrophobicContact CZ-CB 4.04Å; F69-W111 HydrophobicContact CE2-CB 3.96Å; F69-W111 HydrophobicContact CZ-CB 4.25Å; F69-Q114 VanDerWaalsContact CE1-NE2 3.29Å
70	Y	98.4	Very high	97.8	Very high	122 Å²	122	40.1 Å²	40.1	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-85.7	-12.3	-174.5	-72.4	-66	0	0	0	114.8	D66 Y68 Q82	D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.48Å; D66-Y70 PolarHBondContact O-N 2.78Å; D66-Y70 VanDerWaalsContact O-N 3.1Å; Y68-Y70 PolarHBondContact O-N 2.87Å; Y70-Q82 PolarHBondContact O-NE2 2.86Å; Y70-Q82 VanDerWaalsContact O-NE2 3.16Å
71	G	97.3	Very high	97.9	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	27.1	-172	0	0	0	0	0	113.9	Q67 N74 A79	Q67-G71 PolarHBondContact O-N 2.82Å; G71-N74 PolarHBondContact O-ND2 3.24Å; G71-N74 PolarHBondContact O-OD1 3.42Å; G71-A79 WeakPolarHBondContact CA-O 3.21Å
72	D	96.6	Very high	97.8	Very high	92 Å²	92	40.4 Å²	40.4	49%	0.492	20%	0.197	S	C	.	.			trans	-80.8	161.6	175	-172.2	25.5	0	0	0	110.9	K63 Q67 N74	K63-D72 VanDerWaalsContact CD-O 3.27Å; K63-D72 WeakPolarHBondContact CD-O 3.4Å; K63-D72 WeakPolarHBondContact CE-O 3.38Å; K63-D72 PolarHBondContact NZ-O 3.32Å; Q67-D72 HydrophobicContact CB-CB 4.4Å; Q67-D72 HydrophobicContact CG-CB 4.32Å; Q67-D72 PolarHBondContact O-N 3.08Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.88Å
73	R	96.4	Very high	97.8	Very high	106 Å²	106	45 Å²	45	40%	0.4	21%	0.214	S	C	.	.			trans	51.7	42.6	178.8	-58.6	-167.5	175.2	-169.5	-6.3	114.2	K63 N75 I76	K63-R73 HydrophobicContact CD-CB 4.14Å; K63-R73 WeakPolarHBondContact CD-O 3.44Å; R73-N75 WeakPolarHBondContact CA-OD1 3.43Å; R73-N75 PolarHBondContact O-N 3.17Å; R73-I76 HydrophobicContact CB-CD1 4.05Å; R73-I76 HydrophobicContact CB-CG1 4.33Å; R73-I76 WeakPolarHBondContact O-CB 3.17Å; R73-I76 PolarHBondContact O-N 2.81Å
74	N	96.4	Very high	97.8	Very high	59 Å²	59	45 Å²	45	32%	0.316	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.8	176.5	-76.7	-16.9	0	0	0	114.4	K63 G71 D72 I76 Q77 A79	K63-N74 PolarHBondContact NZ-OD1 3.37Å; G71-N74 PolarHBondContact O-ND2 3.24Å; G71-N74 PolarHBondContact O-OD1 3.42Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.88Å; N74-I76 PolarHBondContact O-N 3.22Å; N74-Q77 WeakPolarHBondContact CA-O 3.28Å; N74-Q77 CarbonylContact O-C 3.46Å; N74-Q77 PolarHBondContact OD1-O 3.33Å; N74-A79 PolarHBondContact OD1-N 3.12Å
75	N	96.4	Very high	97.8	Very high	144 Å²	144	44.6 Å²	44.6	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.3	167.8	68.2	-70.9	0	0	0	113.7	R73	R73-N75 WeakPolarHBondContact CA-OD1 3.43Å; R73-N75 PolarHBondContact O-N 3.17Å
76	I	97	Very high	97.8	Very high	56 Å²	56	47.9 Å²	47.9	29%	0.287	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-55.6	171.4	-60.3	177.8	0	0	0	109.5	L62 K63 R73 N74 K438	L62-I76 HydrophobicContact CB-CG2 3.89Å; K63-I76 HydrophobicContact CD-CB 4.49Å; K63-I76 HydrophobicContact CG-CB 4.21Å; K63-I76 HydrophobicContact CG-CG2 4.19Å; R73-I76 HydrophobicContact CB-CD1 4.05Å; R73-I76 HydrophobicContact CB-CG1 4.33Å; R73-I76 WeakPolarHBondContact O-CB 3.17Å; R73-I76 PolarHBondContact O-N 2.81Å; N74-I76 PolarHBondContact O-N 3.22Å; I76-K438 HydrophobicContact CG2-CD 4.24Å
77	Q	97	Very high	97.9	Very high	40 Å²	40	46 Å²	46	19%	0.187	22%	0.221	C	C	.	.			trans	-153.8	129.5	173.6	-173.5	-177.8	19.2	0	0	107.9	L62 K63 Y68 N74 A79	L62-Q77 HydrophobicContact CD1-CB 4.15Å; L62-Q77 HydrophobicContact CD1-CG 4.43Å; K63-Q77 WeakPolarHBondContact CE-O 3.29Å; K63-Q77 PolarHBondContact NZ-O 2.82Å; Y68-Q77 VanDerWaalsContact CE1-OE1 3.3Å; Y68-Q77 PolarHBondContact OH-OE1 3.21Å; N74-Q77 WeakPolarHBondContact CA-O 3.28Å; N74-Q77 CarbonylContact O-C 3.46Å; N74-Q77 PolarHBondContact OD1-O 3.33Å; Q77-A79 PolarHBondContact O-N 2.85Å
78	H	96.9	Very high	97.9	Very high	72 Å²	72	45 Å²	45	33%	0.333	22%	0.217	S	C	.	.			trans	-71.2	110.2	174.1	-170.5	99.1	0	0	0	108.9	Q255 L256 E307	H78-Q255 PolarHBondContact CD2-NE2 3.07Å; H78-Q255 PolarHBondContact NE2-NE2 3.28Å; H78-L256 HydrophobicContact CB-CD1 4.31Å; H78-L256 HydrophobicContact CB-CD2 4.28Å; H78-E307 IonicContact CD2-OE1 2.89Å; H78-E307 PolarHBondContact CD2-OE1 3.44Å; H78-E307 IonicContact NE2-OE1 3.18Å; H78-E307 IonicContact NE2-OE2 2.7Å
79	A	97.2	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.			trans	-166.9	124.5	-175	0	0	0	0	0	110.5	K63 Y68 G71 N74 Q77 F304 E307	K63-A79 PolarHBondContact NZ-O 2.88Å; Y68-A79 HydrophobicContact CD1-CB 3.58Å; Y68-A79 HydrophobicContact CE1-CB 3.72Å; G71-A79 WeakPolarHBondContact CA-O 3.21Å; N74-A79 PolarHBondContact OD1-N 3.12Å; Q77-A79 PolarHBondContact O-N 2.85Å; A79-F304 HydrophobicContact CB-CB 3.6Å; A79-F304 HydrophobicContact CB-CD1 3.68Å; A79-F304 HydrophobicContact CB-CD2 3.88Å; A79-F304 HydrophobicContact CB-CE1 4.29Å; A79-F304 HydrophobicContact CB-CE2 4.49Å; A79-F304 HydrophobicContact CB-CG 3.43Å; A79-F304 VanDerWaalsContact CB-CG 3.43Å; A79-E307 VanDerWaalsContact C-OE1 3.27Å; A79-E307 WeakPolarHBondContact CA-OE1 3.47Å; A79-E307 PolarHBondContact N-OE1 3.28Å
80	G	98.1	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.			trans	-142.9	94.5	178.9	0	0	0	0	0	114.3	Y68 Q82 Y83 I84 E307	Y68-G80 WeakPolarHBondContact O-CA 3.38Å; G80-Q82 VanDerWaalsContact C-N 3.34Å; G80-Q82 PolarHBondContact O-N 3.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.86Å; G80-I84 PolarHBondContact O-N 2.82Å; G80-E307 VanDerWaalsContact N-CD 3.32Å; G80-E307 PolarHBondContact N-OE1 2.81Å
81	V	98.8	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-36.3	-170.1	179.9	0	0	0	0	113.8	D57 Y68 Y83 I84 L85 Y102 F107 F304	D57-V81 HydrophobicContact CB-CG2 4.07Å; D57-V81 WeakPolarHBondContact OD2-CG1 3.46Å; Y68-V81 PolarHBondContact O-N 2.93Å; V81-Y83 VanDerWaalsContact C-N 3.26Å; V81-Y83 PolarHBondContact O-N 3.37Å; V81-I84 WeakPolarHBondContact O-CB 3.4Å; V81-I84 PolarHBondContact O-N 2.9Å; V81-L85 HydrophobicContact CG1-CD1 4.29Å; V81-L85 PolarHBondContact O-N 3.45Å; V81-L85 VanDerWaalsContact O-N 3.12Å; V81-Y102 WeakPolarHBondContact CG1-OH 3.45Å; V81-F107 HydrophobicContact CB-CD1 4.47Å; V81-F107 HydrophobicContact CG1-CB 3.84Å; V81-F107 HydrophobicContact CG1-CD1 4.33Å; V81-F107 HydrophobicContact CG1-CD2 4.4Å; V81-F107 HydrophobicContact CG1-CG 3.98Å; V81-F107 HydrophobicContact CG2-CD1 4.39Å; V81-F107 HydrophobicContact CG2-CD2 4.28Å; V81-F107 HydrophobicContact CG2-CE1 4.35Å; V81-F107 HydrophobicContact CG2-CE2 4.23Å; V81-F107 HydrophobicContact CG2-CG 4.36Å; V81-F107 HydrophobicContact CG2-CZ 4.27Å; V81-F304 HydrophobicContact CG2-CD1 4.02Å; V81-F304 HydrophobicContact CG2-CE1 3.85Å
82	Q	98.5	Very high	97.9	Very high	30 Å²	30	42.2 Å²	42.2	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-37.2	177.6	68.5	-177.7	-24	0	0	112.3	F69 Y70 G80 L85 D86	F69-Q82 HydrophobicContact CE1-CB 4.33Å; F69-Q82 HydrophobicContact CE2-CB 4.27Å; F69-Q82 HydrophobicContact CZ-CB 4.04Å; F69-Q82 WeakPolarHBondContact O-CG 3.38Å; F69-Q82 PolarHBondContact O-N 3.08Å; Y70-Q82 PolarHBondContact O-NE2 2.86Å; Y70-Q82 VanDerWaalsContact O-NE2 3.16Å; G80-Q82 VanDerWaalsContact C-N 3.34Å; G80-Q82 PolarHBondContact O-N 3.18Å; Q82-L85 PolarHBondContact O-N 2.84Å; Q82-D86 WeakPolarHBondContact O-CB 3.45Å; Q82-D86 PolarHBondContact O-N 2.86Å
83	Y	98.5	Very high	98	Very high	110 Å²	110	41.6 Å²	41.6	43%	0.431	20%	0.203	S	C	.	.	H	α-helix	trans	-73.4	-32.2	179.9	-52.5	-55.9	0	0	0	111.7	G80 V81 S87	G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.86Å; V81-Y83 VanDerWaalsContact C-N 3.26Å; V81-Y83 PolarHBondContact O-N 3.37Å; Y83-S87 WeakPolarHBondContact O-CB 3.34Å; Y83-S87 PolarHBondContact O-N 3.01Å; Y83-S87 PolarHBondContact O-OG 2.6Å
84	I	98.8	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-56	171.2	-57.8	174.5	0	0	0	109.7	T55 D57 G80 V81 D86 S87 V88 F304 Q305 Y306 E307	T55-I84 HydrophobicContact CG2-CG2 3.96Å; D57-I84 WeakPolarHBondContact OD1-CD1 3.44Å; G80-I84 PolarHBondContact O-N 2.82Å; V81-I84 WeakPolarHBondContact O-CB 3.4Å; V81-I84 PolarHBondContact O-N 2.9Å; I84-D86 PolarHBondContact O-N 3.16Å; I84-S87 PolarHBondContact O-N 3.14Å; I84-S87 PolarHBondContact O-OG 3.36Å; I84-V88 HydrophobicContact CG2-CG2 4.22Å; I84-V88 VanDerWaalsContact O-CB 3.32Å; I84-V88 WeakPolarHBondContact O-CB 3.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.46Å; I84-V88 PolarHBondContact O-N 3.15Å; I84-F304 HydrophobicContact CD1-CB 4.38Å; I84-F304 HydrophobicContact CD1-CD1 4.49Å; I84-Q305 WeakPolarHBondContact CD1-O 3.41Å; I84-Y306 WeakPolarHBondContact CA-O 3.18Å; I84-E307 HydrophobicContact CD1-CG 4.24Å; I84-E307 HydrophobicContact CG1-CB 4.27Å; I84-E307 HydrophobicContact CG1-CG 3.57Å
85	L	98.9	Very high	98.2	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-42.7	-178.4	-71	171	0	0	0	112.2	V81 Q82 V89 Y102 F108 W111	V81-L85 HydrophobicContact CG1-CD1 4.29Å; V81-L85 PolarHBondContact O-N 3.45Å; V81-L85 VanDerWaalsContact O-N 3.12Å; Q82-L85 PolarHBondContact O-N 2.84Å; L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.28Å; L85-V89 PolarHBondContact O-N 3.04Å; L85-V89 VanDerWaalsContact O-N 3.08Å; L85-Y102 HydrophobicContact CD2-CD2 3.78Å; L85-Y102 HydrophobicContact CD2-CE1 4.46Å; L85-Y102 HydrophobicContact CD2-CE2 3.58Å; L85-Y102 HydrophobicContact CD2-CG 4.32Å; L85-Y102 HydrophobicContact CG-CE2 4.21Å; L85-F108 HydrophobicContact CD1-CD2 4.47Å; L85-F108 HydrophobicContact CD2-CD2 4.08Å; L85-W111 HydrophobicContact CB-CD2 3.95Å; L85-W111 HydrophobicContact CB-CG 3.98Å; L85-W111 HydrophobicContact CB-CZ2 4.43Å; L85-W111 HydrophobicContact CD1-CB 3.45Å; L85-W111 VanDerWaalsContact CD1-CB 3.45Å; L85-W111 HydrophobicContact CD1-CD2 3.92Å; L85-W111 HydrophobicContact CD1-CE3 4.41Å; L85-W111 HydrophobicContact CD1-CG 3.48Å; L85-W111 VanDerWaalsContact CD1-CG 3.48Å; L85-W111 HydrophobicContact CG-CG 4.38Å
86	D	98.7	Very high	98.3	Very high	70 Å²	70	38.4 Å²	38.4	37%	0.374	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-49.5	177.4	-72.5	-16	0	0	0	111.6	Q82 I84 D90 W111	Q82-D86 WeakPolarHBondContact O-CB 3.45Å; Q82-D86 PolarHBondContact O-N 2.86Å; I84-D86 PolarHBondContact O-N 3.16Å; D86-D90 PolarHBondContact O-N 2.69Å; D86-W111 PolarHBondContact OD1-NE1 2.84Å
87	S	98.8	Very high	98.3	Very high	21 Å²	21	39.9 Å²	39.9	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-74.3	-34.8	-175.7	82.1	0	0	0	0	112.5	Y83 I84 D90 Q91 Y306 E307 A309	Y83-S87 WeakPolarHBondContact O-CB 3.34Å; Y83-S87 PolarHBondContact O-N 3.01Å; Y83-S87 PolarHBondContact O-OG 2.6Å; I84-S87 PolarHBondContact O-N 3.14Å; I84-S87 PolarHBondContact O-OG 3.36Å; S87-D90 PolarHBondContact O-N 3.45Å; S87-Q91 VanDerWaalsContact O-CG 3.31Å; S87-Q91 WeakPolarHBondContact O-CG 3.24Å; S87-Q91 PolarHBondContact O-N 3.28Å; S87-Y306 PolarHBondContact OG-O 2.79Å; S87-E307 WeakPolarHBondContact CB-O 3.3Å; S87-E307 PolarHBondContact OG-O 2.81Å; S87-E307 VanDerWaalsContact OG-O 3.13Å; S87-A309 VanDerWaalsContact OG-CB 3.3Å; S87-A309 WeakPolarHBondContact OG-CB 3.46Å; S87-A309 PolarHBondContact OG-N 3.45Å
88	V	98.9	Very high	98.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-47.2	174	166.3	0	0	0	0	110.5	I84 D90 Q91 L92 F100 Y306 A309	I84-V88 HydrophobicContact CG2-CG2 4.22Å; I84-V88 VanDerWaalsContact O-CB 3.32Å; I84-V88 WeakPolarHBondContact O-CB 3.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.46Å; I84-V88 PolarHBondContact O-N 3.15Å; V88-D90 VanDerWaalsContact C-N 3.34Å; V88-D90 PolarHBondContact O-N 2.83Å; V88-Q91 PolarHBondContact O-N 2.77Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.18Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 3.16Å; V88-F100 HydrophobicContact CG1-CB 3.86Å; V88-F100 HydrophobicContact CG1-CD1 3.6Å; V88-F100 HydrophobicContact CG1-CD2 3.99Å; V88-F100 HydrophobicContact CG1-CE1 4.08Å; V88-F100 HydrophobicContact CG1-CE2 4.46Å; V88-F100 HydrophobicContact CG1-CG 3.54Å; V88-F100 HydrophobicContact CG1-CZ 4.49Å; V88-F100 HydrophobicContact CG2-CD1 4.33Å; V88-F100 HydrophobicContact CG2-CD2 4.1Å; V88-F100 HydrophobicContact CG2-CE1 4.01Å; V88-F100 HydrophobicContact CG2-CE2 3.81Å; V88-F100 HydrophobicContact CG2-CG 4.36Å; V88-F100 HydrophobicContact CG2-CZ 3.75Å; V88-Y306 HydrophobicContact CG2-CD1 4.2Å; V88-Y306 HydrophobicContact CG2-CG 4.39Å; V88-A309 HydrophobicContact CG2-CB 3.92Å
89	V	98.8	Very high	98.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-43.9	179.5	171.1	0	0	0	0	111.1	L85 Q91 L92 L93 W111 M119 T122 V123 L126	L85-V89 VanDerWaalsContact O-CG2 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.28Å; L85-V89 PolarHBondContact O-N 3.04Å; L85-V89 VanDerWaalsContact O-N 3.08Å; V89-Q91 PolarHBondContact O-N 2.92Å; V89-L92 PolarHBondContact O-N 3.29Å; V89-L93 HydrophobicContact CG1-CD1 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.46Å; V89-L93 PolarHBondContact O-N 3.02Å; V89-L93 VanDerWaalsContact O-N 3.11Å; V89-W111 HydrophobicContact CG2-CH2 4.16Å; V89-W111 HydrophobicContact CG2-CZ2 4.48Å; V89-M119 HydrophobicContact CG1-CE 4.44Å; V89-M119 HydrophobicContact CG1-SD 3.69Å; V89-T122 HydrophobicContact CG1-CG2 4.46Å; V89-V123 HydrophobicContact CG1-CG2 4.12Å; V89-V123 HydrophobicContact CG2-CG2 3.85Å; V89-L126 HydrophobicContact CG1-CD1 3.97Å
90	D	98.7	Very high	98.6	Very high	70 Å²	70	36.2 Å²	36.2	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-58.3	-45.2	174.3	171.1	69.2	0	0	0	112.3	D86 S87 V88 L93 K94	D86-D90 PolarHBondContact O-N 2.69Å; S87-D90 PolarHBondContact O-N 3.45Å; V88-D90 VanDerWaalsContact C-N 3.34Å; V88-D90 PolarHBondContact O-N 2.83Å; D90-L93 PolarHBondContact O-N 3.03Å; D90-K94 WeakPolarHBondContact O-CG 3.45Å; D90-K94 PolarHBondContact O-N 3.06Å; D90-K94 WeakPolarHBondContact OD1-CE 3.35Å; D90-K94 IonicContact OD1-NZ 2.91Å; D90-K94 PolarHBondContact OD1-NZ 2.88Å; D90-K94 WeakPolarHBondContact OD2-CE 3.17Å; D90-K94 IonicContact OD2-NZ 3.7Å; D90-K94 PolarHBondContact OD2-NZ 3.48Å
91	Q	98.8	Very high	98.6	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-71.6	-35.5	179.7	-69.1	-59.2	-45.6	0	0	113.1	S87 V88 V89 L93 K94 R98 A309 N310 Y313	S87-Q91 VanDerWaalsContact O-CG 3.31Å; S87-Q91 WeakPolarHBondContact O-CG 3.24Å; S87-Q91 PolarHBondContact O-N 3.28Å; V88-Q91 PolarHBondContact O-N 2.77Å; V89-Q91 PolarHBondContact O-N 2.92Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; Q91-L93 PolarHBondContact O-N 3.28Å; Q91-K94 PolarHBondContact O-N 2.85Å; Q91-R98 VanDerWaalsContact O-CD 3.23Å; Q91-R98 WeakPolarHBondContact O-CD 3.35Å; Q91-R98 PolarHBondContact O-NH1 3.18Å; Q91-A309 HydrophobicContact CB-CB 4.23Å; Q91-A309 HydrophobicContact CG-CB 3.78Å; Q91-N310 HydrophobicContact CG-CB 4.36Å; Q91-N310 PolarHBondContact NE2-OD1 3.36Å; Q91-N310 VanDerWaalsContact NE2-OD1 3.11Å; Q91-N310 PolarHBondContact OE1-OD1 3.32Å; Q91-Y313 HydrophobicContact CB-CD2 3.36Å; Q91-Y313 HydrophobicContact CB-CE2 3.71Å; Q91-Y313 HydrophobicContact CB-CG 4.15Å; Q91-Y313 HydrophobicContact CG-CD2 3.88Å
92	L	98.8	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-52.2	172.9	-73.4	178.7	0	0	0	108.5	V88 V89 K94 N95 R98 F100 L126 R131 L132 Y313	V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.18Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 3.16Å; V89-L92 PolarHBondContact O-N 3.29Å; L92-K94 PolarHBondContact O-N 2.73Å; L92-N95 CarbonylContact O-C 3.59Å; L92-N95 PolarHBondContact O-N 2.7Å; L92-N95 VanDerWaalsContact O-N 3.13Å; L92-R98 HydrophobicContact CD2-CB 3.83Å; L92-F100 HydrophobicContact CD1-CB 4.21Å; L92-F100 HydrophobicContact CD2-CB 4.25Å; L92-L126 HydrophobicContact CB-CD1 3.98Å; L92-L126 HydrophobicContact CB-CD2 4.03Å; L92-L126 HydrophobicContact CD1-CD1 4.13Å; L92-R131 PolarHBondContact O-NH2 3Å; L92-L132 HydrophobicContact CD1-CB 3.97Å; L92-Y313 WeakPolarHBondContact CD2-OH 3.33Å
93	L	98.6	Very high	98.6	Very high	80 Å²	80	34.8 Å²	34.8	42%	0.419	18%	0.176	S	C	.	.	H	α-helix	trans	-53.5	-33.3	-177.4	-69.8	165.5	0	0	0	115	V89 D90 Q91 N95 T122 L126	V89-L93 HydrophobicContact CG1-CD1 4.35Å; V89-L93 WeakPolarHBondContact O-CG 3.46Å; V89-L93 PolarHBondContact O-N 3.02Å; V89-L93 VanDerWaalsContact O-N 3.11Å; D90-L93 PolarHBondContact O-N 3.03Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; Q91-L93 PolarHBondContact O-N 3.28Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 3.33Å; L93-T122 HydrophobicContact CD1-CG2 3.74Å; L93-T122 HydrophobicContact CD2-CG2 3.53Å; L93-T122 HydrophobicContact CG-CG2 4.07Å; L93-L126 HydrophobicContact CD2-CD2 4.26Å
94	K	98.6	Very high	98.7	Very high	123 Å²	123	29.6 Å²	29.6	54%	0.535	16%	0.156	S	C	.	.	H	α-helix	trans	-70.3	-23.8	-176.8	-72	168.3	179.4	167.3	0	114.6	D90 Q91 L92	D90-K94 WeakPolarHBondContact O-CG 3.45Å; D90-K94 PolarHBondContact O-N 3.06Å; D90-K94 WeakPolarHBondContact OD1-CE 3.35Å; D90-K94 IonicContact OD1-NZ 2.91Å; D90-K94 PolarHBondContact OD1-NZ 2.88Å; D90-K94 WeakPolarHBondContact OD2-CE 3.17Å; D90-K94 IonicContact OD2-NZ 3.7Å; D90-K94 PolarHBondContact OD2-NZ 3.48Å; Q91-K94 PolarHBondContact O-N 2.85Å; L92-K94 PolarHBondContact O-N 2.73Å
95	N	98.3	Very high	98.6	Very high	34 Å²	34	29.6 Å²	29.6	18%	0.182	16%	0.156	C	C	.	.			trans	-145.2	121.9	-179.8	178.4	-6.6	0	0	0	111	L92 L93 D97 R98 R131 D317	L92-N95 CarbonylContact O-C 3.59Å; L92-N95 PolarHBondContact O-N 2.7Å; L92-N95 VanDerWaalsContact O-N 3.13Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 3.33Å; N95-D97 PolarHBondContact O-N 3.41Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.16Å; N95-R98 HydrophobicContact CB-CG 3.83Å; N95-R98 PolarHBondContact O-N 2.97Å; N95-R131 VanDerWaalsContact C-NH2 3.26Å; N95-R131 PolarHBondContact O-NH2 2.79Å; N95-D317 PolarHBondContact ND2-OD1 2.79Å
96	P	97.5	Very high	98.6	Very high	84 Å²	84	29.4 Å²	29.4	55%	0.545	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21	-179.6	28	-35.6	0	0	0	114.8	R99	P96-R99 PolarHBondContact O-NH1 3.36Å
97	D	98.1	Very high	98.6	Very high	88 Å²	88	26 Å²	26	47%	0.471	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.5	-179.2	-61	-26.9	0	0	0	112.5	H40 N95 R99 Y337	H40-D97 PolarHBondContact CE1-O 2.84Å; H40-D97 IonicContact NE2-OD1 3.74Å; N95-D97 PolarHBondContact O-N 3.41Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.16Å; D97-R99 PolarHBondContact O-NH1 3.21Å; D97-Y337 HydrophobicContact CB-CD2 4.45Å; D97-Y337 VanDerWaalsContact O-CB 3.23Å; D97-Y337 WeakPolarHBondContact O-CB 3.27Å; D97-Y337 WeakPolarHBondContact O-CD2 3.18Å
98	R	98.7	Very high	98.6	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	13%	0.13	C	C	.	.			trans	-64.3	143.9	179.5	-70.4	174.5	-177.7	176.4	-6.9	110.9	Q91 L92 N95 Y313 D317 Y337	Q91-R98 VanDerWaalsContact O-CD 3.23Å; Q91-R98 WeakPolarHBondContact O-CD 3.35Å; Q91-R98 PolarHBondContact O-NH1 3.18Å; L92-R98 HydrophobicContact CD2-CB 3.83Å; N95-R98 HydrophobicContact CB-CG 3.83Å; N95-R98 PolarHBondContact O-N 2.97Å; R98-Y313 HydrophobicContact CB-CD1 4.06Å; R98-Y313 HydrophobicContact CB-CE1 3.54Å; R98-Y313 HydrophobicContact CG-CD1 3.45Å; R98-Y313 VanDerWaalsContact CG-CD1 3.45Å; R98-Y313 HydrophobicContact CG-CE1 3.49Å; R98-Y313 VanDerWaalsContact CG-CE1 3.49Å; R98-Y313 HydrophobicContact CG-CG 4.39Å; R98-D317 IonicContact CZ-OD2 3.92Å; R98-D317 IonicContact NE-OD1 2.69Å; R98-D317 IonicContact NE-OD2 3.75Å; R98-D317 PolarHBondContact NE-OD2 3.27Å; R98-D317 IonicContact NH2-OD2 3.89Å; R98-D317 PolarHBondContact NH2-OD2 3.27Å; R98-Y337 HydrophobicContact CG-CD2 4.46Å; R98-Y337 HydrophobicContact CG-CE2 3.88Å
99	R	98.8	Very high	98.6	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.06	14%	0.138	C	C	.	.			trans	-130.5	145.7	177.4	-64.2	-62.4	-179.4	-84	-1.4	109.4	S38 H40 P53 P96 D97 G130 R131 Y313 T339	S38-R99 PolarHBondContact O-NH2 2.91Å; H40-R99 PolarHBondContact CE1-NH1 3.34Å; H40-R99 PolarHBondContact CE1-NH2 3.31Å; H40-R99 PolarHBondContact NE2-NH1 2.71Å; H40-R99 PolarHBondContact NE2-NH2 2.91Å; P53-R99 VanDerWaalsContact CB-O 3.3Å; P53-R99 WeakPolarHBondContact CB-O 3.22Å; P53-R99 WeakPolarHBondContact CG-O 3.46Å; P96-R99 PolarHBondContact O-NH1 3.36Å; D97-R99 PolarHBondContact O-NH1 3.21Å; R99-G130 WeakPolarHBondContact CD-O 3.25Å; R99-G130 PolarHBondContact NE-O 3.33Å; R99-R131 CarbonylContact C-O 3.54Å; R99-R131 WeakPolarHBondContact CA-O 3.47Å; R99-Y313 PolarHBondContact O-OH 3.4Å; R99-T339 HydrophobicContact CB-CG2 4.25Å; R99-T339 HydrophobicContact CG-CG2 4.46Å
100	F	98.9	Very high	98.6	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.2	171	-161.8	-100.2	0	0	0	110	P53 T55 V88 L92 Y102 R131 L132 E133 Y306	P53-F100 HydrophobicContact CB-CD2 3.67Å; P53-F100 HydrophobicContact CB-CE2 4.21Å; T55-F100 HydrophobicContact CG2-CE1 4.22Å; T55-F100 HydrophobicContact CG2-CZ 4.01Å; V88-F100 HydrophobicContact CG1-CB 3.86Å; V88-F100 HydrophobicContact CG1-CD1 3.6Å; V88-F100 HydrophobicContact CG1-CD2 3.99Å; V88-F100 HydrophobicContact CG1-CE1 4.08Å; V88-F100 HydrophobicContact CG1-CE2 4.46Å; V88-F100 HydrophobicContact CG1-CG 3.54Å; V88-F100 HydrophobicContact CG1-CZ 4.49Å; V88-F100 HydrophobicContact CG2-CD1 4.33Å; V88-F100 HydrophobicContact CG2-CD2 4.1Å; V88-F100 HydrophobicContact CG2-CE1 4.01Å; V88-F100 HydrophobicContact CG2-CE2 3.81Å; V88-F100 HydrophobicContact CG2-CG 4.36Å; V88-F100 HydrophobicContact CG2-CZ 3.75Å; L92-F100 HydrophobicContact CD1-CB 4.21Å; L92-F100 HydrophobicContact CD2-CB 4.25Å; F100-Y102 HydrophobicContact CE1-CD2 4.18Å; F100-R131 PolarHBondContact N-O 2.84Å; F100-L132 HydrophobicContact CB-CD1 4.29Å; F100-L132 HydrophobicContact CD1-CD1 4.06Å; F100-L132 WeakPolarHBondContact O-CA 3.37Å; F100-E133 PolarHBondContact O-N 2.81Å; F100-Y306 HydrophobicContact CD2-CD1 4.25Å; F100-Y306 HydrophobicContact CD2-CE1 4.21Å; F100-Y306 AromaticContact CE2-CD1 3.61Å; F100-Y306 HydrophobicContact CE2-CD1 3.61Å; F100-Y306 AromaticContact CE2-CD2 3.89Å; F100-Y306 HydrophobicContact CE2-CD2 3.89Å; F100-Y306 AromaticContact CE2-CE1 3.82Å; F100-Y306 HydrophobicContact CE2-CE1 3.82Å; F100-Y306 HydrophobicContact CE2-CE2 4.11Å; F100-Y306 AromaticContact CE2-CG 3.66Å; F100-Y306 HydrophobicContact CE2-CG 3.66Å; F100-Y306 HydrophobicContact CZ-CD2 4.38Å; F100-Y306 HydrophobicContact CZ-CG 4.19Å
101	I	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.3	171	67.4	173.6	0	0	0	111.4	V52 P53 H54 E133 V135 W177 T339 P340	V52-I101 HydrophobicContact CG1-CD1 3.53Å; V52-I101 HydrophobicContact CG1-CG1 4.04Å; V52-I101 HydrophobicContact CG1-CG2 4.22Å; P53-I101 PolarHBondContact O-N 2.74Å; H54-I101 HydrophobicContact CB-CD1 3.8Å; H54-I101 HydrophobicContact CB-CG1 3.44Å; H54-I101 VanDerWaalsContact CB-CG1 3.44Å; I101-E133 CarbonylContact C-O 3.56Å; I101-E133 VanDerWaalsContact CA-O 3.24Å; I101-E133 WeakPolarHBondContact CA-O 3.4Å; I101-E133 HydrophobicContact CG2-CB 4.29Å; I101-V135 HydrophobicContact CB-CG1 4.14Å; I101-V135 HydrophobicContact CB-CG2 4.14Å; I101-V135 HydrophobicContact CD1-CG2 3.95Å; I101-V135 HydrophobicContact CG1-CG2 4.36Å; I101-V135 HydrophobicContact CG2-CG1 4.1Å; I101-W177 HydrophobicContact CD1-CD2 4.32Å; I101-W177 HydrophobicContact CD1-CZ2 4.07Å; I101-T339 HydrophobicContact CG2-CG2 4Å; I101-P340 HydrophobicContact CD1-CG 3.74Å; I101-P340 HydrophobicContact CG2-CG 4.44Å
102	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.5	175.7	-159.3	-97.3	0	0	0	111.5	T55 D57 V81 L85 F100 E104 F107 F108 E133 F134 V135	T55-Y102 HydrophobicContact CG2-CD2 4.12Å; T55-Y102 HydrophobicContact CG2-CE2 3.84Å; D57-Y102 WeakPolarHBondContact OD2-CE2 3.33Å; D57-Y102 PolarHBondContact OD2-OH 2.79Å; V81-Y102 WeakPolarHBondContact CG1-OH 3.45Å; L85-Y102 HydrophobicContact CD2-CD2 3.78Å; L85-Y102 HydrophobicContact CD2-CE1 4.46Å; L85-Y102 HydrophobicContact CD2-CE2 3.58Å; L85-Y102 HydrophobicContact CD2-CG 4.32Å; L85-Y102 HydrophobicContact CG-CE2 4.21Å; F100-Y102 HydrophobicContact CE1-CD2 4.18Å; Y102-E104 WeakPolarHBondContact CE1-O 3.47Å; Y102-F107 WeakPolarHBondContact OH-CB 3.23Å; Y102-F108 HydrophobicContact CD1-CB 3.92Å; Y102-F108 HydrophobicContact CD1-CD2 4.16Å; Y102-F108 HydrophobicContact CD1-CG 4.43Å; Y102-F108 HydrophobicContact CE1-CB 3.64Å; Y102-F108 HydrophobicContact CE1-CD2 4.41Å; Y102-E133 PolarHBondContact N-O 3.45Å; Y102-F134 HydrophobicContact CD1-CE1 4.43Å; Y102-F134 WeakPolarHBondContact O-CA 3.33Å; Y102-V135 PolarHBondContact O-N 2.86Å
103	V	98.6	Very high	98.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.159	C	C	.	.			trans	-114.8	-61.4	-166.5	-175.6	0	0	0	0	112	T105 V135 N136 M141 W177	V103-T105 PolarHBondContact O-N 2.88Å; V103-V135 WeakPolarHBondContact CA-O 3.36Å; V103-V135 HydrophobicContact CG2-CG2 3.74Å; V103-N136 HydrophobicContact CG1-CB 3.78Å; V103-M141 HydrophobicContact CG1-CE 3.75Å; V103-W177 HydrophobicContact CG2-CG 4.36Å
104	E	98.8	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.			trans	-80.4	89.5	-167.8	-65.2	74.8	-150.9	0	0	112.8	H56 D57 V59 Y102 G106 F107 F108	H56-E104 IonicContact ND1-OE1 3.98Å; D57-E104 WeakPolarHBondContact O-CG 3.46Å; V59-E104 HydrophobicContact CG2-CB 4Å; V59-E104 HydrophobicContact CG2-CG 3.75Å; Y102-E104 WeakPolarHBondContact CE1-O 3.47Å; E104-G106 PolarHBondContact O-N 3.26Å; E104-F107 HydrophobicContact CB-CD2 4.11Å; E104-F107 PolarHBondContact O-N 2.95Å; E104-F108 PolarHBondContact O-N 3.26Å
105	T	98.8	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.8	-27.2	-177.2	-53.3	0	0	0	0	113	V103 F107 F108 Y109 G137 G138 F162 L163	V103-T105 PolarHBondContact O-N 2.88Å; T105-F107 VanDerWaalsContact C-N 3.3Å; T105-F107 PolarHBondContact O-N 3.42Å; T105-F108 PolarHBondContact O-N 3.3Å; T105-Y109 WeakPolarHBondContact O-CB 3.24Å; T105-Y109 PolarHBondContact O-N 2.96Å; T105-G137 VanDerWaalsContact OG1-C 3.31Å; T105-G137 WeakPolarHBondContact OG1-CA 3.25Å; T105-G137 PolarHBondContact OG1-O 3.16Å; T105-G137 VanDerWaalsContact OG1-O 3.05Å; T105-G138 WeakPolarHBondContact CB-O 3.4Å; T105-G138 PolarHBondContact N-O 3.37Å; T105-G138 PolarHBondContact OG1-O 3.46Å; T105-F162 HydrophobicContact CG2-CD1 3.49Å; T105-F162 VanDerWaalsContact CG2-CD1 3.49Å; T105-F162 HydrophobicContact CG2-CE1 4.08Å; T105-F162 HydrophobicContact CG2-CG 4.49Å; T105-L163 HydrophobicContact CG2-CD1 4.47Å; T105-L163 HydrophobicContact CG2-CD2 4.07Å; T105-L163 HydrophobicContact CG2-CG 4Å
106	G	98.6	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-30.1	176.5	0	0	0	0	0	114.3	E104 R110 W139	E104-G106 PolarHBondContact O-N 3.26Å; G106-R110 WeakPolarHBondContact O-CG 3.33Å; G106-R110 PolarHBondContact O-NH1 3.24Å; G106-W139 WeakPolarHBondContact CA-O 3.18Å; G106-W139 PolarHBondContact N-O 3.19Å
107	F	98.9	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-81.7	-45.4	170.8	-79.2	-53.7	0	0	0	111.7	D57 D58 V59 V65 F69 V81 Y102 E104 T105 Y109 R110 W111	D57-F107 HydrophobicContact CB-CD2 3.87Å; D57-F107 HydrophobicContact CB-CE2 4.05Å; D57-F107 WeakPolarHBondContact O-CE2 3.34Å; D58-F107 VanDerWaalsContact O-CE2 3.26Å; D58-F107 WeakPolarHBondContact O-CE2 3.39Å; D58-F107 WeakPolarHBondContact O-CZ 3.14Å; V59-F107 HydrophobicContact CB-CE2 4.37Å; V59-F107 HydrophobicContact CG2-CD2 4.29Å; V59-F107 HydrophobicContact CG2-CE2 4.03Å; V65-F107 HydrophobicContact CG1-CD1 4.39Å; V65-F107 HydrophobicContact CG1-CE1 3.53Å; V65-F107 HydrophobicContact CG1-CZ 3.71Å; V65-F107 VanDerWaalsContact O-CE1 3.29Å; V65-F107 WeakPolarHBondContact O-CE1 3.46Å; F69-F107 HydrophobicContact CB-CD1 4.14Å; F69-F107 HydrophobicContact CB-CE1 3.94Å; F69-F107 AromaticContact CD2-CD1 3.9Å; F69-F107 HydrophobicContact CD2-CD1 3.9Å; F69-F107 HydrophobicContact CG-CD1 4.48Å; V81-F107 HydrophobicContact CB-CD1 4.47Å; V81-F107 HydrophobicContact CG1-CB 3.84Å; V81-F107 HydrophobicContact CG1-CD1 4.33Å; V81-F107 HydrophobicContact CG1-CD2 4.4Å; V81-F107 HydrophobicContact CG1-CG 3.98Å; V81-F107 HydrophobicContact CG2-CD1 4.39Å; V81-F107 HydrophobicContact CG2-CD2 4.28Å; V81-F107 HydrophobicContact CG2-CE1 4.35Å; V81-F107 HydrophobicContact CG2-CE2 4.23Å; V81-F107 HydrophobicContact CG2-CG 4.36Å; V81-F107 HydrophobicContact CG2-CZ 4.27Å; Y102-F107 WeakPolarHBondContact OH-CB 3.23Å; E104-F107 HydrophobicContact CB-CD2 4.11Å; E104-F107 PolarHBondContact O-N 2.95Å; T105-F107 VanDerWaalsContact C-N 3.3Å; T105-F107 PolarHBondContact O-N 3.42Å; F107-Y109 VanDerWaalsContact C-N 3.28Å; F107-Y109 PolarHBondContact O-N 2.68Å; F107-R110 WeakPolarHBondContact O-CB 3.45Å; F107-R110 PolarHBondContact O-N 2.86Å; F107-W111 PolarHBondContact O-N 2.72Å
108	F	98.9	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-56.6	-43.6	177.6	-172.5	-86	0	0	0	111.8	L85 Y102 E104 T105 R110 W111 W112 V123 L132 F134 F162 F167	L85-F108 HydrophobicContact CD1-CD2 4.47Å; L85-F108 HydrophobicContact CD2-CD2 4.08Å; Y102-F108 HydrophobicContact CD1-CB 3.92Å; Y102-F108 HydrophobicContact CD1-CD2 4.16Å; Y102-F108 HydrophobicContact CD1-CG 4.43Å; Y102-F108 HydrophobicContact CE1-CB 3.64Å; Y102-F108 HydrophobicContact CE1-CD2 4.41Å; E104-F108 PolarHBondContact O-N 3.26Å; T105-F108 PolarHBondContact O-N 3.3Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.9Å; F108-W111 HydrophobicContact CE2-CE3 4.18Å; F108-W111 HydrophobicContact CE2-CZ3 4.2Å; F108-W111 HydrophobicContact CZ-CE3 4.39Å; F108-W111 HydrophobicContact CZ-CZ3 4.26Å; F108-W111 PolarHBondContact O-N 2.77Å; F108-W112 HydrophobicContact CD1-CB 4.25Å; F108-W112 HydrophobicContact CE1-CB 4.04Å; F108-W112 HydrophobicContact CE1-CD2 4.29Å; F108-W112 AromaticContact CE1-CE3 3.92Å; F108-W112 HydrophobicContact CE1-CE3 3.92Å; F108-W112 HydrophobicContact CE1-CG 4.35Å; F108-W112 AromaticContact CZ-CE3 3.98Å; F108-W112 HydrophobicContact CZ-CE3 3.98Å; F108-W112 WeakPolarHBondContact O-CB 3.36Å; F108-W112 PolarHBondContact O-N 2.81Å; F108-V123 HydrophobicContact CE2-CG1 4.41Å; F108-V123 HydrophobicContact CZ-CG1 3.92Å; F108-L132 HydrophobicContact CE2-CD2 4.28Å; F108-F134 HydrophobicContact CD1-CE1 4.1Å; F108-F134 HydrophobicContact CD1-CZ 4.1Å; F108-F134 AromaticContact CD2-CE1 3.73Å; F108-F134 HydrophobicContact CD2-CE1 3.73Å; F108-F134 HydrophobicContact CD2-CZ 4.04Å; F108-F134 HydrophobicContact CE1-CE1 4.24Å; F108-F134 AromaticContact CE1-CZ 3.78Å; F108-F134 HydrophobicContact CE1-CZ 3.78Å; F108-F134 AromaticContact CE2-CE1 3.88Å; F108-F134 HydrophobicContact CE2-CE1 3.88Å; F108-F134 AromaticContact CE2-CZ 3.71Å; F108-F134 HydrophobicContact CE2-CZ 3.71Å; F108-F134 AromaticContact CG-CE1 3.84Å; F108-F134 HydrophobicContact CG-CE1 3.84Å; F108-F134 HydrophobicContact CG-CZ 4.22Å; F108-F134 HydrophobicContact CZ-CE1 4.13Å; F108-F134 AromaticContact CZ-CZ 3.56Å; F108-F134 HydrophobicContact CZ-CZ 3.56Å; F108-F162 AromaticContact CD1-CE1 3.73Å; F108-F162 HydrophobicContact CD1-CE1 3.73Å; F108-F162 HydrophobicContact CD1-CZ 4.1Å; F108-F162 HydrophobicContact CE1-CE1 4.12Å; F108-F162 HydrophobicContact CE1-CZ 4.21Å; F108-F167 AromaticContact CE1-CE2 3.69Å; F108-F167 HydrophobicContact CE1-CE2 3.69Å; F108-F167 AromaticContact CE1-CZ 3.61Å; F108-F167 HydrophobicContact CE1-CZ 3.61Å; F108-F167 HydrophobicContact CZ-CE2 4.12Å; F108-F167 AromaticContact CZ-CZ 3.7Å; F108-F167 HydrophobicContact CZ-CZ 3.7Å
109	Y	98.6	Very high	98.6	Very high	49 Å²	49	33.4 Å²	33.4	19%	0.192	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-42.1	175.5	168.5	-93.3	0	0	0	112.2	T105 F107 K113 W139 F162 K422	T105-Y109 WeakPolarHBondContact O-CB 3.24Å; T105-Y109 PolarHBondContact O-N 2.96Å; F107-Y109 VanDerWaalsContact C-N 3.28Å; F107-Y109 PolarHBondContact O-N 2.68Å; Y109-K113 HydrophobicContact CD1-CD 4.44Å; Y109-K113 HydrophobicContact CE1-CD 3.72Å; Y109-K113 HydrophobicContact CE2-CD 3.83Å; Y109-K113 HydrophobicContact CE2-CG 4.31Å; Y109-K113 WeakPolarHBondContact O-CG 3.3Å; Y109-K113 PolarHBondContact O-N 2.86Å; Y109-K113 WeakPolarHBondContact OH-CD 3.44Å; Y109-W139 AromaticContact CD1-CH2 3.5Å; Y109-W139 HydrophobicContact CD1-CH2 3.5Å; Y109-W139 HydrophobicContact CD1-CZ2 4.24Å; Y109-W139 HydrophobicContact CD1-CZ3 4.34Å; Y109-W139 HydrophobicContact CD2-CH2 4.47Å; Y109-W139 AromaticContact CE1-CH2 3.99Å; Y109-W139 HydrophobicContact CE1-CH2 3.99Å; Y109-W139 AromaticContact CG-CH2 3.77Å; Y109-W139 HydrophobicContact CG-CH2 3.77Å; Y109-W139 HydrophobicContact CG-CZ3 4.16Å; Y109-F162 AromaticContact CD2-CD2 3.69Å; Y109-F162 HydrophobicContact CD2-CD2 3.69Å; Y109-F162 AromaticContact CD2-CE2 3.75Å; Y109-F162 HydrophobicContact CD2-CE2 3.75Å; Y109-F162 HydrophobicContact CD2-CG 4.13Å; Y109-F162 HydrophobicContact CD2-CZ 4.26Å; Y109-F162 HydrophobicContact CE2-CD2 4.32Å; Y109-F162 HydrophobicContact CE2-CE2 4.49Å; Y109-K422 PolarHBondContact OH-NZ 2.96Å
110	R	98.4	Very high	98.6	Very high	44 Å²	44	34.9 Å²	34.9	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-44.8	177.6	-75.2	175	171.7	105.7	-17.7	111.4	D66 F69 G106 F107 F108 Q114	D66-R110 IonicContact OD1-CZ 3.79Å; D66-R110 IonicContact OD1-NE 3.54Å; D66-R110 IonicContact OD1-NH2 2.74Å; D66-R110 PolarHBondContact OD1-NH2 2.81Å; F69-R110 HydrophobicContact CD2-CB 4.11Å; F69-R110 HydrophobicContact CE2-CB 3.73Å; F69-R110 HydrophobicContact CZ-CB 4.04Å; G106-R110 WeakPolarHBondContact O-CG 3.33Å; G106-R110 PolarHBondContact O-NH1 3.24Å; F107-R110 WeakPolarHBondContact O-CB 3.45Å; F107-R110 PolarHBondContact O-N 2.86Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 2.9Å; R110-Q114 PolarHBondContact O-NE2 2.86Å
111	W	98.8	Very high	98.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-50	177	178.2	86	0	0	0	111.4	F69 L85 D86 V89 F107 F108 K113 Q114 Q115 M119 V123	F69-W111 HydrophobicContact CE2-CB 3.96Å; F69-W111 HydrophobicContact CZ-CB 4.25Å; L85-W111 HydrophobicContact CB-CD2 3.95Å; L85-W111 HydrophobicContact CB-CG 3.98Å; L85-W111 HydrophobicContact CB-CZ2 4.43Å; L85-W111 HydrophobicContact CD1-CB 3.45Å; L85-W111 VanDerWaalsContact CD1-CB 3.45Å; L85-W111 HydrophobicContact CD1-CD2 3.92Å; L85-W111 HydrophobicContact CD1-CE3 4.41Å; L85-W111 HydrophobicContact CD1-CG 3.48Å; L85-W111 VanDerWaalsContact CD1-CG 3.48Å; L85-W111 HydrophobicContact CG-CG 4.38Å; D86-W111 PolarHBondContact OD1-NE1 2.84Å; V89-W111 HydrophobicContact CG2-CH2 4.16Å; V89-W111 HydrophobicContact CG2-CZ2 4.48Å; F107-W111 PolarHBondContact O-N 2.72Å; F108-W111 HydrophobicContact CE2-CE3 4.18Å; F108-W111 HydrophobicContact CE2-CZ3 4.2Å; F108-W111 HydrophobicContact CZ-CE3 4.39Å; F108-W111 HydrophobicContact CZ-CZ3 4.26Å; F108-W111 PolarHBondContact O-N 2.77Å; W111-K113 VanDerWaalsContact C-N 3.26Å; W111-K113 PolarHBondContact O-N 2.84Å; W111-Q114 WeakPolarHBondContact O-CB 3.15Å; W111-Q114 PolarHBondContact O-N 3.03Å; W111-Q115 HydrophobicContact CD2-CG 3.9Å; W111-Q115 VanDerWaalsContact CE2-CD 3.44Å; W111-Q115 HydrophobicContact CE3-CG 3.82Å; W111-Q115 HydrophobicContact CH2-CG 3.63Å; W111-Q115 VanDerWaalsContact CZ2-CD 3.41Å; W111-Q115 HydrophobicContact CZ2-CG 3.73Å; W111-Q115 HydrophobicContact CZ3-CG 3.69Å; W111-Q115 VanDerWaalsContact NE1-NE2 3.13Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-NE2 2.99Å; W111-Q115 VanDerWaalsContact O-NE2 3.17Å; W111-M119 HydrophobicContact CH2-CG 4.08Å; W111-M119 HydrophobicContact CZ2-CG 4.38Å; W111-V123 HydrophobicContact CH2-CG2 3.7Å; W111-V123 HydrophobicContact CZ3-CG2 3.99Å
112	W	98.7	Very high	98.6	Very high	21 Å²	21	42.8 Å²	42.8	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-53.4	-41.2	-178.2	176.1	-99.6	0	0	0	113.1	F108 Q114 Q115 Q120 V123 K124 F162 T166 F167	F108-W112 HydrophobicContact CD1-CB 4.25Å; F108-W112 HydrophobicContact CE1-CB 4.04Å; F108-W112 HydrophobicContact CE1-CD2 4.29Å; F108-W112 AromaticContact CE1-CE3 3.92Å; F108-W112 HydrophobicContact CE1-CE3 3.92Å; F108-W112 HydrophobicContact CE1-CG 4.35Å; F108-W112 AromaticContact CZ-CE3 3.98Å; F108-W112 HydrophobicContact CZ-CE3 3.98Å; F108-W112 WeakPolarHBondContact O-CB 3.36Å; F108-W112 PolarHBondContact O-N 2.81Å; W112-Q114 PolarHBondContact O-N 2.87Å; W112-Q115 PolarHBondContact O-N 2.84Å; W112-Q120 HydrophobicContact CD2-CG 4.12Å; W112-Q120 HydrophobicContact CE3-CG 4.12Å; W112-Q120 VanDerWaalsContact CH2-CA 3.49Å; W112-Q120 HydrophobicContact CH2-CB 3.36Å; W112-Q120 HydrophobicContact CH2-CG 3.58Å; W112-Q120 WeakPolarHBondContact CH2-O 3.33Å; W112-Q120 HydrophobicContact CZ2-CB 3.66Å; W112-Q120 HydrophobicContact CZ2-CG 3.55Å; W112-Q120 HydrophobicContact CZ3-CB 3.91Å; W112-Q120 HydrophobicContact CZ3-CG 3.87Å; W112-Q120 PolarHBondContact O-NE2 3.11Å; W112-Q120 VanDerWaalsContact O-NE2 3.11Å; W112-V123 HydrophobicContact CZ3-CB 3.98Å; W112-V123 HydrophobicContact CZ3-CG1 4Å; W112-K124 HydrophobicContact CH2-CD 4.4Å; W112-K124 HydrophobicContact CH2-CG 4.06Å; W112-F162 HydrophobicContact CB-CZ 4.16Å; W112-F162 AromaticContact CD1-CE2 3.8Å; W112-F162 AromaticContact CD1-CZ 3.79Å; W112-F162 HydrophobicContact CG-CE2 4.38Å; W112-F162 AromaticContact CG-CZ 3.91Å; W112-F162 HydrophobicContact CG-CZ 3.91Å; W112-T166 HydrophobicContact CD2-CG2 4.35Å; W112-T166 HydrophobicContact CH2-CG2 3.92Å; W112-T166 HydrophobicContact CZ2-CG2 3.4Å; W112-T166 VanDerWaalsContact CZ2-CG2 3.4Å; W112-F167 HydrophobicContact CE3-CZ 4.05Å; W112-F167 HydrophobicContact CH2-CE1 4.01Å; W112-F167 HydrophobicContact CH2-CZ 4.11Å; W112-F167 AromaticContact CZ3-CE1 3.91Å; W112-F167 HydrophobicContact CZ3-CE1 3.91Å; W112-F167 AromaticContact CZ3-CZ 3.76Å; W112-F167 HydrophobicContact CZ3-CZ 3.76Å
113	K	97.9	Very high	98.5	Very high	137 Å²	137	42.8 Å²	42.8	60%	0.596	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.1	179.3	-79.5	-168.5	63.4	174.1	0	114.6	Y109 W111	Y109-K113 HydrophobicContact CD1-CD 4.44Å; Y109-K113 HydrophobicContact CE1-CD 3.72Å; Y109-K113 HydrophobicContact CE2-CD 3.83Å; Y109-K113 HydrophobicContact CE2-CG 4.31Å; Y109-K113 WeakPolarHBondContact O-CG 3.3Å; Y109-K113 PolarHBondContact O-N 2.86Å; Y109-K113 WeakPolarHBondContact OH-CD 3.44Å; W111-K113 VanDerWaalsContact C-N 3.26Å; W111-K113 PolarHBondContact O-N 2.84Å
114	Q	97.9	Very high	98.5	Very high	100 Å²	100	46.6 Å²	46.6	47%	0.467	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.6	-180	-59.3	177	40.8	0	0	111.9	F69 R110 W111 W112	F69-Q114 VanDerWaalsContact CE1-NE2 3.29Å; R110-Q114 PolarHBondContact O-NE2 2.86Å; W111-Q114 WeakPolarHBondContact O-CB 3.15Å; W111-Q114 PolarHBondContact O-N 3.03Å; W112-Q114 PolarHBondContact O-N 2.87Å
115	Q	98.4	Very high	98.5	Very high	38 Å²	38	50.1 Å²	50.1	18%	0.178	26%	0.255	C	S	.	.	S	Bend	trans	-80.9	145.9	-175	-58.9	-45.6	-46.3	0	0	113.1	W111 W112 M119 Q120	W111-Q115 HydrophobicContact CD2-CG 3.9Å; W111-Q115 VanDerWaalsContact CE2-CD 3.44Å; W111-Q115 HydrophobicContact CE3-CG 3.82Å; W111-Q115 HydrophobicContact CH2-CG 3.63Å; W111-Q115 VanDerWaalsContact CZ2-CD 3.41Å; W111-Q115 HydrophobicContact CZ2-CG 3.73Å; W111-Q115 HydrophobicContact CZ3-CG 3.69Å; W111-Q115 VanDerWaalsContact NE1-NE2 3.13Å; W111-Q115 WeakPolarHBondContact O-CG 3.47Å; W111-Q115 PolarHBondContact O-NE2 2.99Å; W111-Q115 VanDerWaalsContact O-NE2 3.17Å; W112-Q115 PolarHBondContact O-N 2.84Å; Q115-M119 HydrophobicContact CB-CB 4.15Å; Q115-M119 HydrophobicContact CB-CG 4.11Å; Q115-M119 HydrophobicContact CG-CG 4.14Å; Q115-Q120 HydrophobicContact CB-CG 3.92Å; Q115-Q120 PolarHBondContact O-NE2 3.09Å
116	S	98.4	Very high	98.5	Very high	71 Å²	71	50.1 Å²	50.1	50%	0.497	26%	0.255	S	S	.	.			trans	-65.1	156.5	170.5	71.1	0	0	0	0	111.3	S118 M119 Q120	S116-S118 PolarHBondContact O-N 3.15Å; S116-M119 PolarHBondContact O-N 2.82Å; S116-M119 VanDerWaalsContact O-N 3.09Å; S116-M119 PolarHBondContact OG-N 3.23Å; S116-Q120 WeakPolarHBondContact O-CG 3.42Å; S116-Q120 PolarHBondContact O-N 3.14Å
117	S	98.3	Very high	98.5	Very high	88 Å²	88	50.2 Å²	50.2	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-56.9	-33.3	176.1	-53.8	0	0	0	0	112.9	Q121	S117-Q121 WeakPolarHBondContact O-CG 3.35Å; S117-Q121 PolarHBondContact O-N 3Å
118	S	98.4	Very high	98.5	Very high	78 Å²	78	52.9 Å²	52.9	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-50.7	174.5	177.9	0	0	0	0	111.3	S116 Q120 Q121 T122	S116-S118 PolarHBondContact O-N 3.15Å; S118-Q120 VanDerWaalsContact C-N 3.31Å; S118-Q120 PolarHBondContact O-N 2.75Å; S118-Q121 WeakPolarHBondContact O-CB 3.35Å; S118-Q121 PolarHBondContact O-N 2.82Å; S118-Q121 VanDerWaalsContact O-N 3.13Å; S118-T122 PolarHBondContact O-N 3Å; S118-T122 PolarHBondContact O-OG1 2.92Å; S118-T122 VanDerWaalsContact O-OG1 3.07Å
119	M	98.6	Very high	98.4	Very high	55 Å²	55	55.2 Å²	55.2	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-38.5	177.3	-177.5	57.7	79.2	0	0	112.1	V89 W111 Q115 S116 Q121 T122 V123	V89-M119 HydrophobicContact CG1-CE 4.44Å; V89-M119 HydrophobicContact CG1-SD 3.69Å; W111-M119 HydrophobicContact CH2-CG 4.08Å; W111-M119 HydrophobicContact CZ2-CG 4.38Å; Q115-M119 HydrophobicContact CB-CB 4.15Å; Q115-M119 HydrophobicContact CB-CG 4.11Å; Q115-M119 HydrophobicContact CG-CG 4.14Å; S116-M119 PolarHBondContact O-N 2.82Å; S116-M119 VanDerWaalsContact O-N 3.09Å; S116-M119 PolarHBondContact OG-N 3.23Å; M119-Q121 VanDerWaalsContact C-N 3.34Å; M119-Q121 PolarHBondContact O-N 3.15Å; M119-T122 WeakPolarHBondContact O-CB 3.28Å; M119-T122 PolarHBondContact O-N 2.84Å; M119-V123 WeakPolarHBondContact O-CG2 3.33Å; M119-V123 PolarHBondContact O-N 2.95Å; M119-V123 HydrophobicContact SD-CG2 4.34Å
120	Q	98.7	Very high	98.4	Very high	47 Å²	47	53 Å²	53	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-41.3	174	-72.6	-178	-6.9	0	0	112.3	W112 Q115 S116 S118 K124	W112-Q120 HydrophobicContact CD2-CG 4.12Å; W112-Q120 HydrophobicContact CE3-CG 4.12Å; W112-Q120 VanDerWaalsContact CH2-CA 3.49Å; W112-Q120 HydrophobicContact CH2-CB 3.36Å; W112-Q120 HydrophobicContact CH2-CG 3.58Å; W112-Q120 WeakPolarHBondContact CH2-O 3.33Å; W112-Q120 HydrophobicContact CZ2-CB 3.66Å; W112-Q120 HydrophobicContact CZ2-CG 3.55Å; W112-Q120 HydrophobicContact CZ3-CB 3.91Å; W112-Q120 HydrophobicContact CZ3-CG 3.87Å; W112-Q120 PolarHBondContact O-NE2 3.11Å; W112-Q120 VanDerWaalsContact O-NE2 3.11Å; Q115-Q120 HydrophobicContact CB-CG 3.92Å; Q115-Q120 PolarHBondContact O-NE2 3.09Å; S116-Q120 WeakPolarHBondContact O-CG 3.42Å; S116-Q120 PolarHBondContact O-N 3.14Å; S118-Q120 VanDerWaalsContact C-N 3.31Å; S118-Q120 PolarHBondContact O-N 2.75Å; Q120-K124 WeakPolarHBondContact O-CB 3.39Å; Q120-K124 VanDerWaalsContact O-CG 3.32Å; Q120-K124 WeakPolarHBondContact O-CG 3.23Å; Q120-K124 PolarHBondContact O-N 3.39Å
121	Q	98.6	Very high	98.4	Very high	136 Å²	136	51.9 Å²	51.9	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-64.6	-43.1	174.1	-75.2	172.3	-15.1	0	0	111.6	S117 S118 M119 V123 K124 Q125	S117-Q121 WeakPolarHBondContact O-CG 3.35Å; S117-Q121 PolarHBondContact O-N 3Å; S118-Q121 WeakPolarHBondContact O-CB 3.35Å; S118-Q121 PolarHBondContact O-N 2.82Å; S118-Q121 VanDerWaalsContact O-N 3.13Å; M119-Q121 VanDerWaalsContact C-N 3.34Å; M119-Q121 PolarHBondContact O-N 3.15Å; Q121-V123 PolarHBondContact O-N 2.97Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 3.41Å; Q121-Q125 PolarHBondContact O-N 3.42Å
122	T	98.6	Very high	98.4	Very high	30 Å²	30	52 Å²	52	18%	0.184	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-48.4	175.7	-60.8	0	0	0	0	111.8	V89 L93 S118 M119 Q125 L126	V89-T122 HydrophobicContact CG1-CG2 4.46Å; L93-T122 HydrophobicContact CD1-CG2 3.74Å; L93-T122 HydrophobicContact CD2-CG2 3.53Å; L93-T122 HydrophobicContact CG-CG2 4.07Å; S118-T122 PolarHBondContact O-N 3Å; S118-T122 PolarHBondContact O-OG1 2.92Å; S118-T122 VanDerWaalsContact O-OG1 3.07Å; M119-T122 WeakPolarHBondContact O-CB 3.28Å; M119-T122 PolarHBondContact O-N 2.84Å; T122-Q125 WeakPolarHBondContact O-CB 3.36Å; T122-Q125 PolarHBondContact O-N 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.45Å; T122-L126 PolarHBondContact O-N 3.26Å
123	V	98.7	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-39	178.7	172.2	0	0	0	0	111.8	V89 F108 W111 W112 M119 Q121 Q125 L126 V127 L132 F167	V89-V123 HydrophobicContact CG1-CG2 4.12Å; V89-V123 HydrophobicContact CG2-CG2 3.85Å; F108-V123 HydrophobicContact CE2-CG1 4.41Å; F108-V123 HydrophobicContact CZ-CG1 3.92Å; W111-V123 HydrophobicContact CH2-CG2 3.7Å; W111-V123 HydrophobicContact CZ3-CG2 3.99Å; W112-V123 HydrophobicContact CZ3-CB 3.98Å; W112-V123 HydrophobicContact CZ3-CG1 4Å; M119-V123 WeakPolarHBondContact O-CG2 3.33Å; M119-V123 PolarHBondContact O-N 2.95Å; M119-V123 HydrophobicContact SD-CG2 4.34Å; Q121-V123 PolarHBondContact O-N 2.97Å; V123-Q125 PolarHBondContact O-N 2.91Å; V123-L126 PolarHBondContact O-N 3.43Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V123-V127 HydrophobicContact CG1-CG2 4.32Å; V123-V127 WeakPolarHBondContact O-CG2 3.24Å; V123-V127 PolarHBondContact O-N 3.44Å; V123-L132 HydrophobicContact CG1-CD2 4.02Å; V123-F167 HydrophobicContact CG1-CE1 4.08Å; V123-F167 HydrophobicContact CG1-CZ 4.24Å
124	K	98.7	Very high	98.4	Very high	82 Å²	82	45.3 Å²	45.3	36%	0.357	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-41.1	171.2	-77.4	174.7	-179.9	-167.3	0	111.6	W112 Q120 Q121 V127 N128 T166 F167	W112-K124 HydrophobicContact CH2-CD 4.4Å; W112-K124 HydrophobicContact CH2-CG 4.06Å; Q120-K124 WeakPolarHBondContact O-CB 3.39Å; Q120-K124 VanDerWaalsContact O-CG 3.32Å; Q120-K124 WeakPolarHBondContact O-CG 3.23Å; Q120-K124 PolarHBondContact O-N 3.39Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 3.41Å; K124-V127 PolarHBondContact O-N 2.96Å; K124-N128 VanDerWaalsContact O-CB 3.31Å; K124-N128 WeakPolarHBondContact O-CB 3.4Å; K124-N128 PolarHBondContact O-N 2.99Å; K124-N128 PolarHBondContact O-ND2 2.89Å; K124-T166 VanDerWaalsContact CE-O 3.3Å; K124-T166 WeakPolarHBondContact CE-O 3.48Å; K124-F167 HydrophobicContact CG-CD1 3.82Å; K124-F167 HydrophobicContact CG-CE1 3.8Å
125	Q	98.4	Very high	98.5	Very high	74 Å²	74	40.6 Å²	40.6	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-47.5	175.4	-173.2	-174.9	19.5	0	0	111.4	D30 Q121 T122 V123 V127 N128 Q129	D30-Q125 PolarHBondContact OD2-NE2 3.17Å; Q121-Q125 PolarHBondContact O-N 3.42Å; T122-Q125 WeakPolarHBondContact O-CB 3.36Å; T122-Q125 PolarHBondContact O-N 3.26Å; V123-Q125 PolarHBondContact O-N 2.91Å; Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 3.3Å; Q125-N128 PolarHBondContact O-N 3.36Å; Q125-Q129 VanDerWaalsContact CG-NE2 3.32Å; Q125-Q129 WeakPolarHBondContact O-CB 3.42Å; Q125-Q129 VanDerWaalsContact O-CG 3.26Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.84Å
126	L	98.8	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-40.5	177.9	-68	174.9	0	0	0	112.4	V89 L92 L93 T122 V123 Q129 G130 R131 L132	V89-L126 HydrophobicContact CG1-CD1 3.97Å; L92-L126 HydrophobicContact CB-CD1 3.98Å; L92-L126 HydrophobicContact CB-CD2 4.03Å; L92-L126 HydrophobicContact CD1-CD1 4.13Å; L93-L126 HydrophobicContact CD2-CD2 4.26Å; T122-L126 WeakPolarHBondContact O-CG 3.45Å; T122-L126 PolarHBondContact O-N 3.26Å; V123-L126 PolarHBondContact O-N 3.43Å; V123-L126 VanDerWaalsContact O-N 3.16Å; L126-Q129 PolarHBondContact O-N 3.13Å; L126-G130 PolarHBondContact O-N 2.65Å; L126-R131 HydrophobicContact CB-CB 4.5Å; L126-R131 HydrophobicContact CD2-CB 4.15Å; L126-R131 PolarHBondContact O-N 2.63Å; L126-L132 HydrophobicContact CB-CB 4.28Å; L126-L132 PolarHBondContact O-N 2.87Å
127	V	98.7	Very high	98.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-43.9	176	174.6	0	0	0	0	111.3	C34 V123 K124 Q125 Q129 G130 L132 F134 F167 C170	C34-V127 WeakPolarHBondContact CB-O 3.42Å; V123-V127 HydrophobicContact CG1-CG2 4.32Å; V123-V127 WeakPolarHBondContact O-CG2 3.24Å; V123-V127 PolarHBondContact O-N 3.44Å; K124-V127 PolarHBondContact O-N 2.96Å; Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 3.3Å; V127-Q129 PolarHBondContact O-N 2.88Å; V127-G130 PolarHBondContact O-N 3.49Å; V127-L132 WeakPolarHBondContact CA-O 3.27Å; V127-L132 HydrophobicContact CG2-CB 4.15Å; V127-L132 HydrophobicContact CG2-CD2 4.05Å; V127-L132 HydrophobicContact CG2-CG 4.22Å; V127-F134 HydrophobicContact CG1-CE2 4.36Å; V127-F134 HydrophobicContact CG2-CE2 3.79Å; V127-F134 HydrophobicContact CG2-CZ 4.45Å; V127-F167 HydrophobicContact CB-CD1 4.08Å; V127-F167 HydrophobicContact CG1-CB 3.96Å; V127-F167 HydrophobicContact CG1-CD1 4.1Å; V127-F167 HydrophobicContact CG1-CG 4.09Å; V127-F167 HydrophobicContact CG2-CD1 4.03Å; V127-F167 HydrophobicContact CG2-CE1 4.1Å; V127-C170 HydrophobicContact CG1-CB 3.87Å
128	N	98.2	Very high	98.5	Very high	56 Å²	56	31.2 Å²	31.2	30%	0.299	16%	0.158	S	C	.	.	H	α-helix	trans	-66	-22.6	177.5	-73.1	-17.6	0	0	0	113.7	T32 T33 C34 K124 Q125	T32-N128 HydrophobicContact CG2-CB 4.33Å; T33-N128 PolarHBondContact N-O 3.33Å; C34-N128 PolarHBondContact N-O 2.85Å; K124-N128 VanDerWaalsContact O-CB 3.31Å; K124-N128 WeakPolarHBondContact O-CB 3.4Å; K124-N128 PolarHBondContact O-N 2.99Å; K124-N128 PolarHBondContact O-ND2 2.89Å; Q125-N128 PolarHBondContact O-N 3.36Å
129	Q	97.7	Very high	98.5	Very high	50 Å²	50	27.9 Å²	27.9	23%	0.234	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.7	173	-69.7	171.8	-0.2	0	0	112.9	S38 Q125 L126 V127 R131	S38-Q129 WeakPolarHBondContact CB-O 3.37Å; Q125-Q129 VanDerWaalsContact CG-NE2 3.32Å; Q125-Q129 WeakPolarHBondContact O-CB 3.42Å; Q125-Q129 VanDerWaalsContact O-CG 3.26Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.84Å; L126-Q129 PolarHBondContact O-N 3.13Å; V127-Q129 PolarHBondContact O-N 2.88Å; Q129-R131 HydrophobicContact CB-CG 4.14Å; Q129-R131 PolarHBondContact O-N 2.72Å
130	G	97.6	Very high	98.5	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	19	-174.6	0	0	0	0	0	114.5	R99 L126 V127	R99-G130 WeakPolarHBondContact CD-O 3.25Å; R99-G130 PolarHBondContact NE-O 3.33Å; L126-G130 PolarHBondContact O-N 2.65Å; V127-G130 PolarHBondContact O-N 3.49Å
131	R	98.4	Very high	98.5	Very high	21 Å²	21	23 Å²	23	8%	0.079	11%	0.11	C	C	.	.	S	Bend	trans	-78.9	-33.6	176.3	-70.8	165.6	73.9	-175.6	13.8	112.3	L92 N95 R99 F100 L126 Q129	L92-R131 PolarHBondContact O-NH2 3Å; N95-R131 VanDerWaalsContact C-NH2 3.26Å; N95-R131 PolarHBondContact O-NH2 2.79Å; R99-R131 CarbonylContact C-O 3.54Å; R99-R131 WeakPolarHBondContact CA-O 3.47Å; F100-R131 PolarHBondContact N-O 2.84Å; L126-R131 HydrophobicContact CB-CB 4.5Å; L126-R131 HydrophobicContact CD2-CB 4.15Å; L126-R131 PolarHBondContact O-N 2.63Å; Q129-R131 HydrophobicContact CB-CG 4.14Å; Q129-R131 PolarHBondContact O-N 2.72Å
132	L	98.8	Very high	98.5	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.4	165.7	178.2	63	0	0	0	107.8	L92 F100 F108 V123 L126 V127	L92-L132 HydrophobicContact CD1-CB 3.97Å; F100-L132 HydrophobicContact CB-CD1 4.29Å; F100-L132 HydrophobicContact CD1-CD1 4.06Å; F100-L132 WeakPolarHBondContact O-CA 3.37Å; F108-L132 HydrophobicContact CE2-CD2 4.28Å; V123-L132 HydrophobicContact CG1-CD2 4.02Å; L126-L132 HydrophobicContact CB-CB 4.28Å; L126-L132 PolarHBondContact O-N 2.87Å; V127-L132 WeakPolarHBondContact CA-O 3.27Å; V127-L132 HydrophobicContact CG2-CB 4.15Å; V127-L132 HydrophobicContact CG2-CD2 4.05Å; V127-L132 HydrophobicContact CG2-CG 4.22Å
133	E	98.8	Very high	98.5	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.07	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.6	178.6	-177.6	-179.3	130.1	0	0	110.3	F100 I101 Y102 V135 T339 S341	F100-E133 PolarHBondContact O-N 2.81Å; I101-E133 CarbonylContact C-O 3.56Å; I101-E133 VanDerWaalsContact CA-O 3.24Å; I101-E133 WeakPolarHBondContact CA-O 3.4Å; I101-E133 HydrophobicContact CG2-CB 4.29Å; Y102-E133 PolarHBondContact N-O 3.45Å; E133-V135 HydrophobicContact CG-CG1 4.27Å; E133-V135 WeakPolarHBondContact OE1-CG1 3.29Å; E133-T339 HydrophobicContact CB-CG2 4.01Å; E133-T339 WeakPolarHBondContact OE2-CB 3.36Å; E133-T339 VanDerWaalsContact OE2-CG2 3.27Å; E133-T339 WeakPolarHBondContact OE2-CG2 3.39Å; E133-T339 PolarHBondContact OE2-OG1 3.24Å; E133-S341 WeakPolarHBondContact OE1-CB 3.36Å; E133-S341 PolarHBondContact OE1-OG 2.98Å
134	F	98.8	Very high	98.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.1	167.3	-62.6	-74.6	0	0	0	109.5	Y102 F108 V127 L163 F167 P173	Y102-F134 HydrophobicContact CD1-CE1 4.43Å; Y102-F134 WeakPolarHBondContact O-CA 3.33Å; F108-F134 HydrophobicContact CD1-CE1 4.1Å; F108-F134 HydrophobicContact CD1-CZ 4.1Å; F108-F134 AromaticContact CD2-CE1 3.73Å; F108-F134 HydrophobicContact CD2-CE1 3.73Å; F108-F134 HydrophobicContact CD2-CZ 4.04Å; F108-F134 HydrophobicContact CE1-CE1 4.24Å; F108-F134 AromaticContact CE1-CZ 3.78Å; F108-F134 HydrophobicContact CE1-CZ 3.78Å; F108-F134 AromaticContact CE2-CE1 3.88Å; F108-F134 HydrophobicContact CE2-CE1 3.88Å; F108-F134 AromaticContact CE2-CZ 3.71Å; F108-F134 HydrophobicContact CE2-CZ 3.71Å; F108-F134 AromaticContact CG-CE1 3.84Å; F108-F134 HydrophobicContact CG-CE1 3.84Å; F108-F134 HydrophobicContact CG-CZ 4.22Å; F108-F134 HydrophobicContact CZ-CE1 4.13Å; F108-F134 AromaticContact CZ-CZ 3.56Å; F108-F134 HydrophobicContact CZ-CZ 3.56Å; V127-F134 HydrophobicContact CG1-CE2 4.36Å; V127-F134 HydrophobicContact CG2-CE2 3.79Å; V127-F134 HydrophobicContact CG2-CZ 4.45Å; F134-L163 HydrophobicContact CB-CD1 3.91Å; F134-L163 HydrophobicContact CD1-CD1 4.32Å; F134-L163 HydrophobicContact CD1-CD2 3.84Å; F134-L163 HydrophobicContact CD2-CD1 4.46Å; F134-L163 HydrophobicContact CD2-CD2 3.82Å; F134-L163 HydrophobicContact CE1-CD2 3.83Å; F134-L163 HydrophobicContact CE2-CD2 3.8Å; F134-L163 HydrophobicContact CG-CD1 3.98Å; F134-L163 HydrophobicContact CG-CD2 3.83Å; F134-L163 HydrophobicContact CZ-CD2 3.81Å; F134-F167 HydrophobicContact CD2-CD2 4.44Å; F134-F167 AromaticContact CE2-CD2 3.62Å; F134-F167 HydrophobicContact CE2-CD2 3.62Å; F134-F167 AromaticContact CE2-CE2 3.57Å; F134-F167 HydrophobicContact CE2-CE2 3.57Å; F134-F167 HydrophobicContact CE2-CG 4.27Å; F134-F167 HydrophobicContact CE2-CZ 4.17Å; F134-F167 HydrophobicContact CZ-CD2 4.23Å; F134-F167 AromaticContact CZ-CE2 3.69Å; F134-F167 HydrophobicContact CZ-CE2 3.69Å; F134-F167 HydrophobicContact CZ-CZ 4.15Å; F134-P173 HydrophobicContact CB-CG 4.26Å; F134-P173 WeakPolarHBondContact O-CA 3.48Å; F134-P173 WeakPolarHBondContact O-CB 3.5Å
135	V	98.6	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.			trans	-115.4	155.5	170.3	-59.2	0	0	0	0	108.6	I101 Y102 V103 E133 G137 W177 P340	I101-V135 HydrophobicContact CB-CG1 4.14Å; I101-V135 HydrophobicContact CB-CG2 4.14Å; I101-V135 HydrophobicContact CD1-CG2 3.95Å; I101-V135 HydrophobicContact CG1-CG2 4.36Å; I101-V135 HydrophobicContact CG2-CG1 4.1Å; Y102-V135 PolarHBondContact O-N 2.86Å; V103-V135 WeakPolarHBondContact CA-O 3.36Å; V103-V135 HydrophobicContact CG2-CG2 3.74Å; E133-V135 HydrophobicContact CG-CG1 4.27Å; E133-V135 WeakPolarHBondContact OE1-CG1 3.29Å; V135-G137 PolarHBondContact O-N 3.1Å; V135-W177 HydrophobicContact CB-CB 4.03Å; V135-W177 HydrophobicContact CG2-CB 3.62Å; V135-W177 HydrophobicContact CG2-CD2 4.35Å; V135-W177 HydrophobicContact CG2-CG 3.77Å; V135-P340 HydrophobicContact CG1-CG 4.23Å
136	N	98.6	Very high	98.6	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.037	C	C	.	.	S	Bend	trans	57.2	-80.2	-165.6	-160.7	-5.6	0	0	0	112	V103 M156 P173 V175 W177 H178 Y197	V103-N136 HydrophobicContact CG1-CB 3.78Å; N136-M156 WeakPolarHBondContact OD1-CE 3.15Å; N136-P173 WeakPolarHBondContact O-CG 3.33Å; N136-V175 PolarHBondContact N-O 2.93Å; N136-W177 HydrophobicContact CB-CB 4.17Å; N136-W177 PolarHBondContact ND2-O 2.79Å; N136-H178 PolarHBondContact ND2-CD2 3.12Å; N136-H178 PolarHBondContact ND2-NE2 3.14Å; N136-H178 VanDerWaalsContact ND2-NE2 3.1Å; N136-Y197 PolarHBondContact O-OH 3.26Å
137	G	98.1	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.			trans	84.5	6.4	174.5	0	0	0	0	0	114.9	T105 V135 G159 L160	T105-G137 VanDerWaalsContact OG1-C 3.31Å; T105-G137 WeakPolarHBondContact OG1-CA 3.25Å; T105-G137 PolarHBondContact OG1-O 3.16Å; T105-G137 VanDerWaalsContact OG1-O 3.05Å; V135-G137 PolarHBondContact O-N 3.1Å; G137-G159 CarbonylContact O-C 3.56Å; G137-G159 VanDerWaalsContact O-C 3.23Å; G137-G159 WeakPolarHBondContact O-CA 3.39Å; G137-L160 PolarHBondContact O-N 2.99Å
138	G	98.6	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-64.3	168.5	162.7	0	0	0	0	0	112.3	T105 C140 M156	T105-G138 WeakPolarHBondContact CB-O 3.4Å; T105-G138 PolarHBondContact N-O 3.37Å; T105-G138 PolarHBondContact OG1-O 3.46Å; G138-C140 PolarHBondContact O-N 3.24Å; G138-M156 WeakPolarHBondContact CA-SD 3.44Å
139	W	98.8	Very high	98.6	Very high	7 Å²	7	6 Å²	6	3%	0.027	3%	0.027	C	C	.	.	S	Bend	trans	-62.6	-34.9	172.8	-162.3	-98.5	0	0	0	111.9	G106 Y109 Q155 I158 K422 A425	G106-W139 WeakPolarHBondContact CA-O 3.18Å; G106-W139 PolarHBondContact N-O 3.19Å; Y109-W139 AromaticContact CD1-CH2 3.5Å; Y109-W139 HydrophobicContact CD1-CH2 3.5Å; Y109-W139 HydrophobicContact CD1-CZ2 4.24Å; Y109-W139 HydrophobicContact CD1-CZ3 4.34Å; Y109-W139 HydrophobicContact CD2-CH2 4.47Å; Y109-W139 AromaticContact CE1-CH2 3.99Å; Y109-W139 HydrophobicContact CE1-CH2 3.99Å; Y109-W139 AromaticContact CG-CH2 3.77Å; Y109-W139 HydrophobicContact CG-CH2 3.77Å; Y109-W139 HydrophobicContact CG-CZ3 4.16Å; W139-Q155 HydrophobicContact CB-CB 4.41Å; W139-Q155 PolarHBondContact N-O 2.56Å; W139-Q155 VanDerWaalsContact N-O 3.17Å; W139-I158 HydrophobicContact CB-CG2 3.98Å; W139-I158 HydrophobicContact CD2-CD1 4.48Å; W139-I158 HydrophobicContact CD2-CG2 4.23Å; W139-I158 HydrophobicContact CE3-CB 4.46Å; W139-I158 HydrophobicContact CE3-CD1 3.96Å; W139-I158 HydrophobicContact CE3-CG1 3.91Å; W139-I158 HydrophobicContact CE3-CG2 3.87Å; W139-I158 HydrophobicContact CG-CG2 4.31Å; W139-I158 HydrophobicContact CH2-CD1 4.39Å; W139-I158 HydrophobicContact CZ3-CD1 3.91Å; W139-I158 HydrophobicContact CZ3-CG1 3.95Å; W139-K422 HydrophobicContact CH2-CD 4.15Å; W139-K422 HydrophobicContact CH2-CG 4.13Å; W139-K422 HydrophobicContact CZ2-CB 4.42Å; W139-K422 HydrophobicContact CZ2-CD 4.05Å; W139-K422 HydrophobicContact CZ2-CG 3.87Å; W139-A425 HydrophobicContact CB-CB 3.69Å; W139-A425 HydrophobicContact CD2-CB 4.38Å; W139-A425 HydrophobicContact CG-CB 3.58Å
140	C	98.8	Very high	98.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	S	Bend	trans	-139.4	171.4	171.1	65.1	0	0	0	0	109.9	V59 G138 S142 Q155 A425 H429	V59-C140 HydrophobicContact CB-CB 4.14Å; V59-C140 HydrophobicContact CG2-CB 3.62Å; G138-C140 PolarHBondContact O-N 3.24Å; C140-S142 PolarHBondContact O-N 3.02Å; C140-Q155 PolarHBondContact O-OE1 2.76Å; C140-A425 PolarHBondContact SG-O 3.21Å; C140-H429 HydrophobicContact CB-CB 4.1Å; C140-H429 PolarHBondContact SG-N 2.75Å; C140-H429 VanDerWaalsContact SG-N 3.42Å
141	M	98.8	Very high	98.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.			trans	-83	103.9	160.4	-171.7	-174.5	-54	0	0	108.2	V103 W177 H178 I179 D180 P181 H430	V103-M141 HydrophobicContact CG1-CE 3.75Å; M141-W177 WeakPolarHBondContact CE-O 3.12Å; M141-H178 HydrophobicContact CG-CB 4.5Å; M141-I179 HydrophobicContact CE-CD1 4.41Å; M141-I179 HydrophobicContact CE-CG1 3.6Å; M141-I179 HydrophobicContact SD-CG1 4.06Å; M141-I179 PolarHBondContact SD-N 3.2Å; M141-D180 HydrophobicContact SD-CB 4.32Å; M141-P181 HydrophobicContact CG-CG 4.12Å; M141-P181 VanDerWaalsContact SD-CD 3.57Å; M141-P181 HydrophobicContact SD-CG 4.3Å; M141-H430 PolarHBondContact O-N 3.36Å; M141-H430 PolarHBondContact O-ND1 2.85Å
142	S	98.7	Very high	98.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-74.9	151.1	-171.7	55.4	0	0	0	0	113.4	C140 P181 H188 Q428	C140-S142 PolarHBondContact O-N 3.02Å; S142-P181 WeakPolarHBondContact O-CG 3.35Å; S142-H188 PolarHBondContact OG-NE2 3.41Å; S142-Q428 CarbonylContact C-O 3.59Å; S142-Q428 WeakPolarHBondContact CA-O 3.07Å; S142-Q428 WeakPolarHBondContact CB-O 3.44Å
143	D	98.9	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.			trans	-59.2	148.9	162.4	178.9	31.2	0	0	0	109.9	A145 T146 T147 Y375 Q428 H430 V433	D143-A145 PolarHBondContact OD1-N 3.02Å; D143-A145 PolarHBondContact OD2-N 2.87Å; D143-T146 WeakPolarHBondContact OD2-CA 3.42Å; D143-T146 VanDerWaalsContact OD2-CB 3.25Å; D143-T146 WeakPolarHBondContact OD2-CB 3.49Å; D143-T146 PolarHBondContact OD2-N 3.03Å; D143-T146 PolarHBondContact OD2-OG1 2.64Å; D143-T147 HydrophobicContact CB-CG2 4.09Å; D143-T147 WeakPolarHBondContact O-CB 3.33Å; D143-T147 WeakPolarHBondContact O-CG2 3.35Å; D143-T147 PolarHBondContact O-OG1 3.33Å; D143-Y375 WeakPolarHBondContact OD1-CE2 3.43Å; D143-Y375 PolarHBondContact OD1-OH 2.79Å; D143-Y375 WeakPolarHBondContact OD2-CE2 3.19Å; D143-Q428 PolarHBondContact N-O 3.04Å; D143-H430 HydrophobicContact CB-CB 4.15Å; D143-V433 HydrophobicContact CB-CG1 4.26Å
144	E	98.9	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	-105.6	-14.3	178.7	-60	-169	-137.6	0	0	113.1	H178 P181 H184 A185 H188 F362 N732	E144-H178 WeakPolarHBondContact OE1-CB 3.49Å; E144-H178 IonicContact OE1-CE1 3.35Å; E144-H178 IonicContact OE1-CG 2.72Å; E144-H178 IonicContact OE1-ND1 3.2Å; E144-H178 PolarHBondContact OE1-ND1 3Å; E144-P181 HydrophobicContact CG-CB 3.95Å; E144-P181 HydrophobicContact CG-CG 4.38Å; E144-H184 IonicContact OE1-CE1 3.17Å; E144-H184 IonicContact OE1-CG 3.7Å; E144-H184 IonicContact OE1-ND1 3.34Å; E144-H184 PolarHBondContact OE1-ND1 2.78Å; E144-H184 VanDerWaalsContact OE2-CA 3.22Å; E144-H184 WeakPolarHBondContact OE2-CA 3.39Å; E144-H184 WeakPolarHBondContact OE2-CB 3.38Å; E144-H184 IonicContact OE2-ND1 3.56Å; E144-A185 HydrophobicContact CB-CB 3.95Å; E144-A185 WeakPolarHBondContact O-CB 3.47Å; E144-A185 PolarHBondContact OE2-N 3.39Å; E144-H188 HydrophobicContact CG-CB 4.37Å; E144-H188 WeakPolarHBondContact OE2-CB 3.46Å; E144-H188 IonicContact OE2-CG 3.56Å; E144-F362 HydrophobicContact CB-CZ 4.18Å; E144-N732 PolarHBondContact O-ND2 3.18Å; E144-N732 PolarHBondContact O-OD1 3.28Å
145	A	98.9	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	-92.6	-44.8	-179.3	0	0	0	0	0	113.5	D143 F362 Y375 F376 P761 N763	D143-A145 PolarHBondContact OD1-N 3.02Å; D143-A145 PolarHBondContact OD2-N 2.87Å; A145-F362 HydrophobicContact CB-CE1 3.86Å; A145-F362 HydrophobicContact CB-CE2 4.37Å; A145-F362 HydrophobicContact CB-CZ 3.62Å; A145-Y375 HydrophobicContact CB-CE2 3.69Å; A145-Y375 WeakPolarHBondContact CB-OH 3.18Å; A145-F376 HydrophobicContact CB-CD1 3.72Å; A145-F376 HydrophobicContact CB-CE1 3.5Å; A145-P761 HydrophobicContact CB-CB 3.95Å; A145-P761 HydrophobicContact CB-CG 4Å; A145-P761 WeakPolarHBondContact O-CB 3.31Å; A145-N763 PolarHBondContact O-ND2 3.07Å; A145-N763 PolarHBondContact O-OD1 3.36Å; A145-N763 VanDerWaalsContact O-OD1 3.12Å
146	T	98.8	Very high	98.7	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	-109.3	7.4	-166	69.5	0	0	0	0	113.9	D143 Y375 F376 V433 S434 N763 S782	D143-T146 WeakPolarHBondContact OD2-CA 3.42Å; D143-T146 VanDerWaalsContact OD2-CB 3.25Å; D143-T146 WeakPolarHBondContact OD2-CB 3.49Å; D143-T146 PolarHBondContact OD2-N 3.03Å; D143-T146 PolarHBondContact OD2-OG1 2.64Å; T146-Y375 HydrophobicContact CG2-CD2 4.08Å; T146-Y375 HydrophobicContact CG2-CE2 4.07Å; T146-F376 HydrophobicContact CG2-CD1 4.47Å; T146-V433 WeakPolarHBondContact O-CG2 3.35Å; T146-V433 PolarHBondContact OG1-O 3.23Å; T146-S434 WeakPolarHBondContact OG1-CA 3.31Å; T146-S434 PolarHBondContact OG1-N 2.97Å; T146-N763 VanDerWaalsContact CA-OD1 3.24Å; T146-N763 WeakPolarHBondContact CA-OD1 3.46Å; T146-N763 PolarHBondContact O-OD1 2.79Å; T146-S782 WeakPolarHBondContact O-CB 3.25Å; T146-S782 PolarHBondContact O-OG 2.76Å
147	T	98.6	Very high	98.7	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.			trans	-90.2	151.3	173.3	52	0	0	0	0	111.8	D143 V152 Q428 V433 N732 N763	D143-T147 HydrophobicContact CB-CG2 4.09Å; D143-T147 WeakPolarHBondContact O-CB 3.33Å; D143-T147 WeakPolarHBondContact O-CG2 3.35Å; D143-T147 PolarHBondContact O-OG1 3.33Å; T147-V152 HydrophobicContact CG2-CG2 4.34Å; T147-Q428 HydrophobicContact CG2-CB 4.24Å; T147-V433 HydrophobicContact CG2-CG1 3.66Å; T147-N732 WeakPolarHBondContact O-CA 3.37Å; T147-N732 WeakPolarHBondContact O-CB 3.47Å; T147-N732 PolarHBondContact O-ND2 3.19Å; T147-N732 PolarHBondContact OG1-ND2 3.45Å; T147-N732 VanDerWaalsContact OG1-ND2 3.14Å; T147-N763 PolarHBondContact O-OD1 3.39Å
148	H	98.6	Very high	98.7	Very high	8 Å²	8	3.9 Å²	3.9	4%	0.037	2%	0.02	C	C	.	.			trans	-96.8	139.1	167.5	-174.3	-94	0	0	0	110.3	S150 A151 V152 R387 N732	H148-S150 PolarHBondContact ND1-N 3.39Å; H148-S150 PolarHBondContact ND1-OG 3.08Å; H148-S150 PolarHBondContact O-N 3.16Å; H148-A151 PolarHBondContact O-N 2.78Å; H148-V152 PolarHBondContact O-N 3.36Å; H148-R387 VanDerWaalsContact CB-CZ 3.45Å; H148-R387 VanDerWaalsContact CB-NH1 3.28Å; H148-N732 CarbonylContact C-O 3.26Å; H148-N732 WeakPolarHBondContact CA-O 3.42Å
149	Y	98.7	Very high	98.7	Very high	13 Å²	13	3.9 Å²	3.9	5%	0.051	2%	0.02	C	C	.	.	H	α-helix	trans	-53	-35.4	-173.9	73	-80.5	0	0	0	113.3	A151 V152 I153 N732 R734 L886 E901	Y149-A151 PolarHBondContact O-N 3.11Å; Y149-V152 PolarHBondContact O-N 3.1Å; Y149-I153 HydrophobicContact CD2-CD1 3.96Å; Y149-I153 VanDerWaalsContact O-CG1 3.32Å; Y149-I153 WeakPolarHBondContact O-CG1 3.43Å; Y149-I153 PolarHBondContact O-N 2.93Å; Y149-N732 WeakPolarHBondContact CD1-O 3.45Å; Y149-N732 PolarHBondContact N-O 3.32Å; Y149-R734 HydrophobicContact CD1-CB 3.83Å; Y149-R734 HydrophobicContact CD1-CG 4.12Å; Y149-R734 HydrophobicContact CD2-CG 4.34Å; Y149-R734 HydrophobicContact CE1-CB 4.22Å; Y149-R734 HydrophobicContact CE1-CG 4.18Å; Y149-R734 HydrophobicContact CE2-CG 4.4Å; Y149-R734 HydrophobicContact CG-CB 4.12Å; Y149-R734 HydrophobicContact CG-CG 4.22Å; Y149-L886 HydrophobicContact CE2-CD1 3.62Å; Y149-L886 HydrophobicContact CE2-CD2 4.02Å; Y149-L886 HydrophobicContact CE2-CG 4.49Å; Y149-E901 WeakPolarHBondContact CE2-OE2 3.45Å; Y149-E901 PolarHBondContact OH-OE1 3.42Å
150	S	98	Very high	98.7	Very high	9 Å²	9	3.6 Å²	3.6	6%	0.063	2%	0.019	C	C	.	.	H	α-helix	trans	-62.1	-40.9	177.5	68.1	0	0	0	0	113.1	H148 I153 D154 N390	H148-S150 PolarHBondContact ND1-N 3.39Å; H148-S150 PolarHBondContact ND1-OG 3.08Å; H148-S150 PolarHBondContact O-N 3.16Å; S150-I153 PolarHBondContact O-N 3.48Å; S150-D154 PolarHBondContact O-N 3.3Å; S150-N390 PolarHBondContact OG-ND2 2.72Å
151	A	98.5	Very high	98.6	Very high	5 Å²	5	6.2 Å²	6.2	4%	0.041	3%	0.029	C	C	.	.	H	α-helix	trans	-74.3	-31.9	178.4	0	0	0	0	0	112.2	H148 Y149 D154 Q155 Q428	H148-A151 PolarHBondContact O-N 2.78Å; Y149-A151 PolarHBondContact O-N 3.11Å; A151-D154 PolarHBondContact O-N 3.07Å; A151-Q155 PolarHBondContact O-N 3.01Å; A151-Q428 HydrophobicContact CB-CG 4.06Å; A151-Q428 VanDerWaalsContact CB-OE1 3.25Å
152	V	98.8	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.8	-47.3	171.3	179.5	0	0	0	0	110.2	T147 H148 Y149 D154 Q155 M156 L191	T147-V152 HydrophobicContact CG2-CG2 4.34Å; H148-V152 PolarHBondContact O-N 3.36Å; Y149-V152 PolarHBondContact O-N 3.1Å; V152-D154 VanDerWaalsContact C-N 3.31Å; V152-D154 PolarHBondContact O-N 3.18Å; V152-Q155 WeakPolarHBondContact O-CG 3.27Å; V152-Q155 PolarHBondContact O-N 3.31Å; V152-M156 HydrophobicContact CG1-CG 4.46Å; V152-M156 WeakPolarHBondContact O-CB 3.36Å; V152-M156 VanDerWaalsContact O-CG 3.22Å; V152-M156 WeakPolarHBondContact O-CG 3.44Å; V152-M156 PolarHBondContact O-N 3.46Å; V152-L191 HydrophobicContact CB-CD1 4.33Å; V152-L191 HydrophobicContact CG1-CD1 4.03Å
153	I	98.9	Very high	98.6	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-59.1	-44	175.6	-68.8	161.6	0	0	0	110.7	Y149 S150 M156 T157 L191 M195 L886 R899 L937 I979	Y149-I153 HydrophobicContact CD2-CD1 3.96Å; Y149-I153 VanDerWaalsContact O-CG1 3.32Å; Y149-I153 WeakPolarHBondContact O-CG1 3.43Å; Y149-I153 PolarHBondContact O-N 2.93Å; S150-I153 PolarHBondContact O-N 3.48Å; I153-M156 PolarHBondContact O-N 2.94Å; I153-T157 WeakPolarHBondContact O-CB 3.34Å; I153-T157 PolarHBondContact O-N 3.03Å; I153-T157 PolarHBondContact O-OG1 2.86Å; I153-L191 HydrophobicContact CD1-CD2 3.93Å; I153-L191 HydrophobicContact CG1-CD1 4.5Å; I153-L191 HydrophobicContact CG1-CD2 3.99Å; I153-M195 HydrophobicContact CG1-CE 4.19Å; I153-L886 HydrophobicContact CD1-CD2 3.93Å; I153-R899 VanDerWaalsContact CG2-CZ 3.47Å; I153-L937 HydrophobicContact CD1-CD1 4.08Å; I153-L937 HydrophobicContact CD1-CD2 4.29Å; I153-L937 HydrophobicContact CD1-CG 4.45Å; I153-L937 HydrophobicContact CG1-CD1 4.39Å; I153-L937 HydrophobicContact CG1-CD2 4.17Å; I153-L937 HydrophobicContact CG1-CG 4.28Å; I153-L937 HydrophobicContact CG2-CD1 4.42Å; I153-I979 HydrophobicContact CD1-CD1 3.96Å
154	D	98.8	Very high	98.5	Very high	15 Å²	15	9.7 Å²	9.7	8%	0.08	5%	0.047	C	C	.	.	H	α-helix	trans	-65.5	-43.9	-178.5	-77	-16.2	0	0	0	112.7	S150 A151 V152 T157 I158 Q394 R899	S150-D154 PolarHBondContact O-N 3.3Å; A151-D154 PolarHBondContact O-N 3.07Å; V152-D154 VanDerWaalsContact C-N 3.31Å; V152-D154 PolarHBondContact O-N 3.18Å; D154-T157 PolarHBondContact O-N 2.79Å; D154-I158 PolarHBondContact O-N 3.06Å; D154-I158 VanDerWaalsContact O-N 3.09Å; D154-Q394 PolarHBondContact OD2-NE2 3.4Å; D154-R899 IonicContact OD1-NH1 3.42Å
155	Q	98.7	Very high	98.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-35.1	178.1	80.5	75.5	16.2	0	0	112	W139 C140 A151 V152 I158 G159 A425 Q428	W139-Q155 HydrophobicContact CB-CB 4.41Å; W139-Q155 PolarHBondContact N-O 2.56Å; W139-Q155 VanDerWaalsContact N-O 3.17Å; C140-Q155 PolarHBondContact O-OE1 2.76Å; A151-Q155 PolarHBondContact O-N 3.01Å; V152-Q155 WeakPolarHBondContact O-CG 3.27Å; V152-Q155 PolarHBondContact O-N 3.31Å; Q155-I158 WeakPolarHBondContact O-CG2 3.39Å; Q155-G159 PolarHBondContact O-N 2.68Å; Q155-A425 HydrophobicContact CB-CB 3.75Å; Q155-Q428 HydrophobicContact CB-CG 4.29Å; Q155-Q428 HydrophobicContact CG-CB 4.16Å; Q155-Q428 HydrophobicContact CG-CG 4.09Å
156	M	98.9	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.4	-43.7	172.1	-69.3	-60.6	-68.6	0	0	111.3	N136 G138 V152 I153 I158 G159 L160 F192 M195 Y197	N136-M156 WeakPolarHBondContact OD1-CE 3.15Å; G138-M156 WeakPolarHBondContact CA-SD 3.44Å; V152-M156 HydrophobicContact CG1-CG 4.46Å; V152-M156 WeakPolarHBondContact O-CB 3.36Å; V152-M156 VanDerWaalsContact O-CG 3.22Å; V152-M156 WeakPolarHBondContact O-CG 3.44Å; V152-M156 PolarHBondContact O-N 3.46Å; I153-M156 PolarHBondContact O-N 2.94Å; M156-I158 PolarHBondContact O-N 3.32Å; M156-G159 PolarHBondContact O-N 3.01Å; M156-L160 HydrophobicContact CB-CD1 4.39Å; M156-L160 HydrophobicContact CE-CD1 3.97Å; M156-L160 VanDerWaalsContact O-CB 3.24Å; M156-L160 WeakPolarHBondContact O-CB 3.43Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.12Å; M156-L160 PolarHBondContact O-N 3.11Å; M156-F192 HydrophobicContact CE-CD1 4.26Å; M156-F192 HydrophobicContact CE-CE1 3.82Å; M156-F192 HydrophobicContact SD-CE1 4.21Å; M156-M195 HydrophobicContact CB-CE 3.73Å; M156-M195 HydrophobicContact CB-SD 3.89Å; M156-M195 HydrophobicContact CE-SD 3.99Å; M156-M195 HydrophobicContact CG-CE 3.9Å; M156-M195 HydrophobicContact CG-SD 3.99Å; M156-Y197 HydrophobicContact CE-CE2 4.17Å; M156-Y197 WeakPolarHBondContact CE-OH 3.34Å
157	T	98.8	Very high	98.3	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-45.5	-178.8	-58.9	0	0	0	0	111.5	I153 D154 R161 W891 L897 R899 A939	I153-T157 WeakPolarHBondContact O-CB 3.34Å; I153-T157 PolarHBondContact O-N 3.03Å; I153-T157 PolarHBondContact O-OG1 2.86Å; D154-T157 PolarHBondContact O-N 2.79Å; T157-R161 WeakPolarHBondContact O-CB 3.34Å; T157-R161 PolarHBondContact O-N 2.94Å; T157-W891 HydrophobicContact CG2-CH2 4.4Å; T157-W891 HydrophobicContact CG2-CZ3 4.06Å; T157-L897 HydrophobicContact CG2-CD2 4.28Å; T157-R899 PolarHBondContact OG1-NH2 3.33Å; T157-A939 HydrophobicContact CG2-CB 4.39Å
158	I	98	Very high	98.2	Very high	18 Å²	18	18.5 Å²	18.5	9%	0.092	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-43.9	-179	-173.3	176.7	0	0	0	112	W139 D154 Q155 M156 F162 R421 K422 A425	W139-I158 HydrophobicContact CB-CG2 3.98Å; W139-I158 HydrophobicContact CD2-CD1 4.48Å; W139-I158 HydrophobicContact CD2-CG2 4.23Å; W139-I158 HydrophobicContact CE3-CB 4.46Å; W139-I158 HydrophobicContact CE3-CD1 3.96Å; W139-I158 HydrophobicContact CE3-CG1 3.91Å; W139-I158 HydrophobicContact CE3-CG2 3.87Å; W139-I158 HydrophobicContact CG-CG2 4.31Å; W139-I158 HydrophobicContact CH2-CD1 4.39Å; W139-I158 HydrophobicContact CZ3-CD1 3.91Å; W139-I158 HydrophobicContact CZ3-CG1 3.95Å; D154-I158 PolarHBondContact O-N 3.06Å; D154-I158 VanDerWaalsContact O-N 3.09Å; Q155-I158 WeakPolarHBondContact O-CG2 3.39Å; M156-I158 PolarHBondContact O-N 3.32Å; I158-F162 PolarHBondContact O-N 2.96Å; I158-R421 HydrophobicContact CD1-CG 4.18Å; I158-K422 HydrophobicContact CD1-CG 3.74Å; I158-A425 HydrophobicContact CG2-CB 4.19Å
159	G	98.6	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-52.5	178.5	0	0	0	0	0	111.8	G137 Q155 M156 R161 F162 L163	G137-G159 CarbonylContact O-C 3.56Å; G137-G159 VanDerWaalsContact O-C 3.23Å; G137-G159 WeakPolarHBondContact O-CA 3.39Å; Q155-G159 PolarHBondContact O-N 2.68Å; M156-G159 PolarHBondContact O-N 3.01Å; G159-R161 VanDerWaalsContact C-N 3.33Å; G159-R161 PolarHBondContact O-N 2.98Å; G159-F162 WeakPolarHBondContact O-CB 3.3Å; G159-F162 PolarHBondContact O-N 2.77Å; G159-F162 VanDerWaalsContact O-N 3.15Å; G159-L163 WeakPolarHBondContact O-CG 3.29Å; G159-L163 PolarHBondContact O-N 2.82Å
160	L	98.6	Very high	97.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-66.6	-32.3	-177.6	-70.4	173.6	0	0	0	113.4	G137 M156 N164 P173 N940	G137-L160 PolarHBondContact O-N 2.99Å; M156-L160 HydrophobicContact CB-CD1 4.39Å; M156-L160 HydrophobicContact CE-CD1 3.97Å; M156-L160 VanDerWaalsContact O-CB 3.24Å; M156-L160 WeakPolarHBondContact O-CB 3.43Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.12Å; M156-L160 PolarHBondContact O-N 3.11Å; L160-N164 VanDerWaalsContact O-CB 3.22Å; L160-N164 WeakPolarHBondContact O-CB 3.44Å; L160-N164 PolarHBondContact O-N 3.31Å; L160-P173 VanDerWaalsContact CD2-CD 3.43Å; L160-P173 HydrophobicContact CD2-CG 3.76Å; L160-N940 HydrophobicContact CB-CB 4.15Å
161	R	97.4	Very high	97.8	Very high	55 Å²	55	22.7 Å²	22.7	21%	0.208	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-50.7	171.5	-179.8	-174.4	-179.3	162.8	-0	110.5	T157 G159 L163 N164 E165 W891	T157-R161 WeakPolarHBondContact O-CB 3.34Å; T157-R161 PolarHBondContact O-N 2.94Å; G159-R161 VanDerWaalsContact C-N 3.33Å; G159-R161 PolarHBondContact O-N 2.98Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 2.91Å; R161-N164 PolarHBondContact O-N 2.91Å; R161-E165 HydrophobicContact CG-CG 4.33Å; R161-E165 IonicContact CZ-OE1 3.36Å; R161-E165 IonicContact NE-OE1 3Å; R161-E165 PolarHBondContact NE-OE1 2.86Å; R161-E165 IonicContact NE-OE2 2.65Å; R161-E165 IonicContact NH2-OE1 2.85Å; R161-E165 PolarHBondContact NH2-OE1 2.8Å; R161-E165 WeakPolarHBondContact O-CB 3.48Å; R161-E165 WeakPolarHBondContact O-CG 3.29Å; R161-E165 PolarHBondContact O-N 3Å; R161-W891 HydrophobicContact CB-CH2 4.02Å; R161-W891 HydrophobicContact CG-CH2 3.68Å; R161-W891 HydrophobicContact CG-CZ2 3.76Å; R161-W891 VanDerWaalsContact NH1-CD2 3.3Å; R161-W891 VanDerWaalsContact NH1-CE3 3.31Å; R161-W891 PolarHBondContact NH1-O 3Å; R161-W891 PolarHBondContact NH2-O 3.47Å
162	F	98.4	Very high	97.7	Very high	23 Å²	23	24 Å²	24	10%	0.101	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-44.8	179.1	162.3	-98.8	0	0	0	111.7	T105 F108 Y109 W112 I158 G159 T166	T105-F162 HydrophobicContact CG2-CD1 3.49Å; T105-F162 VanDerWaalsContact CG2-CD1 3.49Å; T105-F162 HydrophobicContact CG2-CE1 4.08Å; T105-F162 HydrophobicContact CG2-CG 4.49Å; F108-F162 AromaticContact CD1-CE1 3.73Å; F108-F162 HydrophobicContact CD1-CE1 3.73Å; F108-F162 HydrophobicContact CD1-CZ 4.1Å; F108-F162 HydrophobicContact CE1-CE1 4.12Å; F108-F162 HydrophobicContact CE1-CZ 4.21Å; Y109-F162 AromaticContact CD2-CD2 3.69Å; Y109-F162 HydrophobicContact CD2-CD2 3.69Å; Y109-F162 AromaticContact CD2-CE2 3.75Å; Y109-F162 HydrophobicContact CD2-CE2 3.75Å; Y109-F162 HydrophobicContact CD2-CG 4.13Å; Y109-F162 HydrophobicContact CD2-CZ 4.26Å; Y109-F162 HydrophobicContact CE2-CD2 4.32Å; Y109-F162 HydrophobicContact CE2-CE2 4.49Å; W112-F162 HydrophobicContact CB-CZ 4.16Å; W112-F162 AromaticContact CD1-CE2 3.8Å; W112-F162 AromaticContact CD1-CZ 3.79Å; W112-F162 HydrophobicContact CG-CE2 4.38Å; W112-F162 AromaticContact CG-CZ 3.91Å; W112-F162 HydrophobicContact CG-CZ 3.91Å; I158-F162 PolarHBondContact O-N 2.96Å; G159-F162 WeakPolarHBondContact O-CB 3.3Å; G159-F162 PolarHBondContact O-N 2.77Å; G159-F162 VanDerWaalsContact O-N 3.15Å; F162-T166 VanDerWaalsContact CE2-OG1 3.29Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.47Å; F162-T166 VanDerWaalsContact O-CB 3.22Å; F162-T166 WeakPolarHBondContact O-CB 3.39Å; F162-T166 PolarHBondContact O-N 3.32Å; F162-T166 PolarHBondContact O-OG1 3.11Å
163	L	98.6	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-43.8	177.9	-66.1	179	0	0	0	111.9	T105 F134 G159 R161 T166 F167 G171 P173	T105-L163 HydrophobicContact CG2-CD1 4.47Å; T105-L163 HydrophobicContact CG2-CD2 4.07Å; T105-L163 HydrophobicContact CG2-CG 4Å; F134-L163 HydrophobicContact CB-CD1 3.91Å; F134-L163 HydrophobicContact CD1-CD1 4.32Å; F134-L163 HydrophobicContact CD1-CD2 3.84Å; F134-L163 HydrophobicContact CD2-CD1 4.46Å; F134-L163 HydrophobicContact CD2-CD2 3.82Å; F134-L163 HydrophobicContact CE1-CD2 3.83Å; F134-L163 HydrophobicContact CE2-CD2 3.8Å; F134-L163 HydrophobicContact CG-CD1 3.98Å; F134-L163 HydrophobicContact CG-CD2 3.83Å; F134-L163 HydrophobicContact CZ-CD2 3.81Å; G159-L163 WeakPolarHBondContact O-CG 3.29Å; G159-L163 PolarHBondContact O-N 2.82Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 2.91Å; L163-T166 PolarHBondContact O-N 2.94Å; L163-F167 HydrophobicContact CD2-CD2 4.12Å; L163-F167 HydrophobicContact CD2-CE2 4.1Å; L163-F167 WeakPolarHBondContact O-CB 3.32Å; L163-F167 PolarHBondContact O-N 3.2Å; L163-G171 WeakPolarHBondContact CB-O 3.43Å; L163-P173 HydrophobicContact CD1-CG 4.41Å
164	N	97.1	Very high	97.5	Very high	50 Å²	50	26.5 Å²	26.5	27%	0.267	13%	0.134	S	C	.	.	H	α-helix	trans	-66.7	-43.1	179.2	-173.8	63.2	0	0	0	112.3	L160 R161 T166 G168 N940	L160-N164 VanDerWaalsContact O-CB 3.22Å; L160-N164 WeakPolarHBondContact O-CB 3.44Å; L160-N164 PolarHBondContact O-N 3.31Å; R161-N164 PolarHBondContact O-N 2.91Å; N164-T166 VanDerWaalsContact C-N 3.29Å; N164-T166 PolarHBondContact O-N 2.88Å; N164-G168 WeakPolarHBondContact O-CA 3.3Å; N164-G168 PolarHBondContact O-N 2.78Å; N164-N940 HydrophobicContact CB-CB 4.14Å; N164-N940 PolarHBondContact OD1-O 3.34Å
165	E	96.6	Very high	97.5	Very high	122 Å²	122	25.8 Å²	25.8	57%	0.57	13%	0.13	S	C	*	.	H	α-helix	trans	-66.5	-31	176.5	-72.3	177	173.8	0	0	112.3	R161	R161-E165 HydrophobicContact CG-CG 4.33Å; R161-E165 IonicContact CZ-OE1 3.36Å; R161-E165 IonicContact NE-OE1 3Å; R161-E165 PolarHBondContact NE-OE1 2.86Å; R161-E165 IonicContact NE-OE2 2.65Å; R161-E165 IonicContact NH2-OE1 2.85Å; R161-E165 PolarHBondContact NH2-OE1 2.8Å; R161-E165 WeakPolarHBondContact O-CB 3.48Å; R161-E165 WeakPolarHBondContact O-CG 3.29Å; R161-E165 PolarHBondContact O-N 3Å
166	T	98.2	Very high	97.5	Very high	23 Å²	23	25.7 Å²	25.7	14%	0.141	13%	0.13	C	C	.	.	H	α-helix	trans	-88.5	-40.5	-175.3	-55.1	0	0	0	0	113.2	W112 K124 F162 L163 N164	W112-T166 HydrophobicContact CD2-CG2 4.35Å; W112-T166 HydrophobicContact CH2-CG2 3.92Å; W112-T166 HydrophobicContact CZ2-CG2 3.4Å; W112-T166 VanDerWaalsContact CZ2-CG2 3.4Å; K124-T166 VanDerWaalsContact CE-O 3.3Å; K124-T166 WeakPolarHBondContact CE-O 3.48Å; F162-T166 VanDerWaalsContact CE2-OG1 3.29Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.47Å; F162-T166 VanDerWaalsContact O-CB 3.22Å; F162-T166 WeakPolarHBondContact O-CB 3.39Å; F162-T166 PolarHBondContact O-N 3.32Å; F162-T166 PolarHBondContact O-OG1 3.11Å; L163-T166 PolarHBondContact O-N 2.94Å; N164-T166 VanDerWaalsContact C-N 3.29Å; N164-T166 PolarHBondContact O-N 2.88Å
167	F	97.9	Very high	97.5	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-123.9	0.3	-169.6	-54.5	-71.8	0	0	0	113.8	F108 W112 V123 K124 V127 F134 L163 C170 G171	F108-F167 AromaticContact CE1-CE2 3.69Å; F108-F167 HydrophobicContact CE1-CE2 3.69Å; F108-F167 AromaticContact CE1-CZ 3.61Å; F108-F167 HydrophobicContact CE1-CZ 3.61Å; F108-F167 HydrophobicContact CZ-CE2 4.12Å; F108-F167 AromaticContact CZ-CZ 3.7Å; F108-F167 HydrophobicContact CZ-CZ 3.7Å; W112-F167 HydrophobicContact CE3-CZ 4.05Å; W112-F167 HydrophobicContact CH2-CE1 4.01Å; W112-F167 HydrophobicContact CH2-CZ 4.11Å; W112-F167 AromaticContact CZ3-CE1 3.91Å; W112-F167 HydrophobicContact CZ3-CE1 3.91Å; W112-F167 AromaticContact CZ3-CZ 3.76Å; W112-F167 HydrophobicContact CZ3-CZ 3.76Å; V123-F167 HydrophobicContact CG1-CE1 4.08Å; V123-F167 HydrophobicContact CG1-CZ 4.24Å; K124-F167 HydrophobicContact CG-CD1 3.82Å; K124-F167 HydrophobicContact CG-CE1 3.8Å; V127-F167 HydrophobicContact CB-CD1 4.08Å; V127-F167 HydrophobicContact CG1-CB 3.96Å; V127-F167 HydrophobicContact CG1-CD1 4.1Å; V127-F167 HydrophobicContact CG1-CG 4.09Å; V127-F167 HydrophobicContact CG2-CD1 4.03Å; V127-F167 HydrophobicContact CG2-CE1 4.1Å; F134-F167 HydrophobicContact CD2-CD2 4.44Å; F134-F167 AromaticContact CE2-CD2 3.62Å; F134-F167 HydrophobicContact CE2-CD2 3.62Å; F134-F167 AromaticContact CE2-CE2 3.57Å; F134-F167 HydrophobicContact CE2-CE2 3.57Å; F134-F167 HydrophobicContact CE2-CG 4.27Å; F134-F167 HydrophobicContact CE2-CZ 4.17Å; F134-F167 HydrophobicContact CZ-CD2 4.23Å; F134-F167 AromaticContact CZ-CE2 3.69Å; F134-F167 HydrophobicContact CZ-CE2 3.69Å; F134-F167 HydrophobicContact CZ-CZ 4.15Å; L163-F167 HydrophobicContact CD2-CD2 4.12Å; L163-F167 HydrophobicContact CD2-CE2 4.1Å; L163-F167 WeakPolarHBondContact O-CB 3.32Å; L163-F167 PolarHBondContact O-N 3.2Å; F167-C170 PolarHBondContact O-N 3.5Å; F167-G171 PolarHBondContact O-N 3.08Å
168	G	95.8	Very high	97.5	Very high	29 Å²	29	25.5 Å²	25.5	30%	0.299	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	59.1	-142.1	-179.7	0	0	0	0	0	112.7	N164 C170 G171	N164-G168 WeakPolarHBondContact O-CA 3.3Å; N164-G168 PolarHBondContact O-N 2.78Å; G168-C170 PolarHBondContact O-N 3.38Å; G168-G171 PolarHBondContact O-N 3.48Å
169	I	94.4	Very high	97.5	Very high	104 Å²	104	24.7 Å²	24.7	53%	0.533	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-59.8	-29.4	-177.4	-165.1	167.7	0	0	0	113.5	G171 R172	I169-G171 VanDerWaalsContact C-N 3.32Å; I169-R172 WeakPolarHBondContact O-CB 3.38Å; I169-R172 PolarHBondContact O-N 2.82Å
170	C	96.4	Very high	97.5	Very high	14 Å²	14	25.1 Å²	25.1	10%	0.095	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-77.1	-19.7	177.7	-62.7	0	0	0	0	113.4	T32 C34 V127 F167 G168 R172	T32-C170 WeakPolarHBondContact CG2-SG 2.85Å; C34-C170 HydrophobicContact CB-CB 3.6Å; C34-C170 WeakPolarHBondContact CB-SG 2.95Å; C34-C170 WeakPolarHBondContact SG-CA 3.42Å; C34-C170 WeakPolarHBondContact SG-CB 3.49Å; C34-C170 CovalentContact SG-SG 2.03Å; C34-C170 PolarHBondContact SG-SG 3.15Å; V127-C170 HydrophobicContact CG1-CB 3.87Å; F167-C170 PolarHBondContact O-N 3.5Å; G168-C170 PolarHBondContact O-N 3.38Å; C170-R172 VanDerWaalsContact C-N 3.27Å
171	G	96.5	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-77.7	-11.5	170.8	0	0	0	0	0	113.8	L163 F167 G168 I169 P173	L163-G171 WeakPolarHBondContact CB-O 3.43Å; F167-G171 PolarHBondContact O-N 3.08Å; G168-G171 PolarHBondContact O-N 3.48Å; I169-G171 VanDerWaalsContact C-N 3.32Å; G171-P173 VanDerWaalsContact O-CD 3.25Å; G171-P173 WeakPolarHBondContact O-CD 3.39Å
172	R	96.1	Very high	97.6	Very high	32 Å²	32	22.6 Å²	22.6	12%	0.121	12%	0.117	C	C	.	.	S	Bend	trans	-82.2	115.5	-175.9	-171.3	178.5	-61.5	148.5	2.1	110.3	I169 C170 N940 Q941	I169-R172 WeakPolarHBondContact O-CB 3.38Å; I169-R172 PolarHBondContact O-N 2.82Å; C170-R172 VanDerWaalsContact C-N 3.27Å; R172-N940 PolarHBondContact NE-O 2.96Å; R172-N940 PolarHBondContact NH2-O 2.74Å; R172-Q941 VanDerWaalsContact CZ-CB 3.43Å; R172-Q941 VanDerWaalsContact CZ-CG 3.49Å
173	P	97.5	Very high	97.6	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.039	11%	0.112	C	C	.	.			trans	-64.5	148.2	177.5	-24.4	38.6	0	0	0	112.3	F134 N136 L160 L163 G171 Y197	F134-P173 HydrophobicContact CB-CG 4.26Å; F134-P173 WeakPolarHBondContact O-CA 3.48Å; F134-P173 WeakPolarHBondContact O-CB 3.5Å; N136-P173 WeakPolarHBondContact O-CG 3.33Å; L160-P173 VanDerWaalsContact CD2-CD 3.43Å; L160-P173 HydrophobicContact CD2-CG 3.76Å; L163-P173 HydrophobicContact CD1-CG 4.41Å; G171-P173 VanDerWaalsContact O-CD 3.25Å; G171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-Y197 HydrophobicContact CB-CE1 3.73Å
174	R	97.1	Very high	97.6	Very high	48 Å²	48	21.5 Å²	21.5	18%	0.181	11%	0.112	C	C	.	.	S	Bend	trans	-104.5	-23.3	171.9	-56.1	-63.6	178.2	164.7	-0.9	113	Y36 D198	Y36-R174 HydrophobicContact CE2-CG 4.23Å; R174-D198 WeakPolarHBondContact CD-OD2 3.5Å; R174-D198 IonicContact NH1-OD2 3.29Å; R174-D198 PolarHBondContact O-N 2.02Å
175	V	98.7	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.2	-175.4	169.7	0	0	0	0	110.5	N136 W177 G199 F201 P340 L344	N136-V175 PolarHBondContact N-O 2.93Å; V175-W177 HydrophobicContact CG1-CE3 4.22Å; V175-G199 WeakPolarHBondContact CA-O 3.34Å; V175-F201 HydrophobicContact CG1-CD2 3.47Å; V175-F201 VanDerWaalsContact CG1-CD2 3.47Å; V175-F201 HydrophobicContact CG1-CE2 4.03Å; V175-F201 HydrophobicContact CG2-CE2 4.27Å; V175-P340 HydrophobicContact CB-CB 4.21Å; V175-P340 HydrophobicContact CG1-CB 3.84Å; V175-P340 HydrophobicContact CG2-CB 4.17Å; V175-L344 HydrophobicContact CG2-CB 4.44Å; V175-L344 HydrophobicContact CG2-CD2 3.84Å
176	A	98.7	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.1	165.1	0	0	0	0	0	108.3	F192 Y197 G199 F200 F201	A176-F192 HydrophobicContact CB-CB 4.16Å; A176-F192 HydrophobicContact CB-CD1 4.05Å; A176-F192 HydrophobicContact CB-CD2 3.54Å; A176-F192 HydrophobicContact CB-CE1 4.38Å; A176-F192 HydrophobicContact CB-CE2 3.9Å; A176-F192 HydrophobicContact CB-CG 3.65Å; A176-F192 HydrophobicContact CB-CZ 4.33Å; A176-Y197 HydrophobicContact CB-CD1 3.95Å; A176-Y197 HydrophobicContact CB-CE1 4.25Å; A176-Y197 HydrophobicContact CB-CG 4.29Å; A176-G199 PolarHBondContact N-O 2.89Å; A176-F200 HydrophobicContact CB-CB 4.38Å; A176-F200 HydrophobicContact CB-CD2 3.56Å; A176-F200 HydrophobicContact CB-CE2 4.18Å; A176-F200 HydrophobicContact CB-CG 4.3Å; A176-F200 WeakPolarHBondContact O-CA 3.5Å; A176-F201 PolarHBondContact O-N 3.32Å
177	W	98.6	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	95.6	-170.6	-169.1	-97.8	0	0	0	109.6	I101 V103 V135 N136 M141 V175 I179 F201 L241 I297 T299 P340	I101-W177 HydrophobicContact CD1-CD2 4.32Å; I101-W177 HydrophobicContact CD1-CZ2 4.07Å; V103-W177 HydrophobicContact CG2-CG 4.36Å; V135-W177 HydrophobicContact CB-CB 4.03Å; V135-W177 HydrophobicContact CG2-CB 3.62Å; V135-W177 HydrophobicContact CG2-CD2 4.35Å; V135-W177 HydrophobicContact CG2-CG 3.77Å; N136-W177 HydrophobicContact CB-CB 4.17Å; N136-W177 PolarHBondContact ND2-O 2.79Å; M141-W177 WeakPolarHBondContact CE-O 3.12Å; V175-W177 HydrophobicContact CG1-CE3 4.22Å; W177-I179 HydrophobicContact CD2-CG2 4.05Å; W177-I179 HydrophobicContact CG-CG2 4.35Å; W177-I179 HydrophobicContact CH2-CG2 4.47Å; W177-I179 HydrophobicContact CZ2-CG2 3.63Å; W177-I179 VanDerWaalsContact NE1-CG2 3.28Å; W177-F201 HydrophobicContact CE3-CB 3.68Å; W177-F201 HydrophobicContact CE3-CG 4.41Å; W177-F201 HydrophobicContact CZ3-CB 3.6Å; W177-F201 HydrophobicContact CZ3-CG 4.1Å; W177-L241 HydrophobicContact CH2-CD1 3.7Å; W177-L241 HydrophobicContact CH2-CD2 4.02Å; W177-L241 HydrophobicContact CH2-CG 4.48Å; W177-L241 HydrophobicContact CZ2-CD1 3.9Å; W177-L241 HydrophobicContact CZ3-CD1 4.36Å; W177-L241 HydrophobicContact CZ3-CD2 4.38Å; W177-I297 HydrophobicContact CH2-CD1 4.25Å; W177-I297 HydrophobicContact CZ3-CD1 4.34Å; W177-T299 HydrophobicContact CH2-CG2 3.95Å; W177-T299 HydrophobicContact CZ2-CG2 3.85Å; W177-P340 HydrophobicContact CD2-CG 4.44Å; W177-P340 HydrophobicContact CE3-CB 3.94Å; W177-P340 HydrophobicContact CE3-CG 3.63Å; W177-P340 HydrophobicContact CH2-CG 3.92Å; W177-P340 HydrophobicContact CZ3-CB 3.67Å; W177-P340 HydrophobicContact CZ3-CG 3.34Å
178	H	98.4	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	70	-178	-77.3	-143.9	0	0	0	109.5	N136 M141 E144 D180 P181 H184 H188 F192 F200 F201 F202	N136-H178 PolarHBondContact ND2-CD2 3.12Å; N136-H178 PolarHBondContact ND2-NE2 3.14Å; N136-H178 VanDerWaalsContact ND2-NE2 3.1Å; M141-H178 HydrophobicContact CG-CB 4.5Å; E144-H178 WeakPolarHBondContact OE1-CB 3.49Å; E144-H178 IonicContact OE1-CE1 3.35Å; E144-H178 IonicContact OE1-CG 2.72Å; E144-H178 IonicContact OE1-ND1 3.2Å; E144-H178 PolarHBondContact OE1-ND1 3Å; H178-D180 VanDerWaalsContact C-N 3.3Å; H178-D180 PolarHBondContact O-N 2.78Å; H178-P181 HydrophobicContact CB-CG 3.94Å; H178-H184 PolarHBondContact O-CE1 3.45Å; H178-H188 AromaticContact CE1-CD2 3.81Å; H178-F192 AromaticContact CD2-CZ 3.97Å; H178-F192 AromaticContact CE1-CE2 3.99Å; H178-F192 AromaticContact CE1-CZ 3.55Å; H178-F192 AromaticContact NE2-CE2 3.93Å; H178-F192 AromaticContact NE2-CZ 3.3Å; H178-F192 VanDerWaalsContact NE2-CZ 3.3Å; H178-F192 WeakPolarHBondContact NE2-CZ 3.47Å; H178-F200 HydrophobicContact CB-CE2 3.46Å; H178-F200 VanDerWaalsContact CB-CE2 3.46Å; H178-F200 HydrophobicContact CB-CZ 3.72Å; H178-F200 AromaticContact CG-CE2 3.6Å; H178-F200 AromaticContact CG-CZ 3.88Å; H178-F201 PolarHBondContact N-O 2.93Å; H178-F202 VanDerWaalsContact O-CA 3.25Å; H178-F202 WeakPolarHBondContact O-CA 3.24Å; H178-F202 WeakPolarHBondContact O-CB 3.49Å
179	I	98.4	Very high	97.9	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.051	C	C	.	.	S	Bend	trans	-71.1	-27.1	-174.9	48.8	167.8	0	0	0	113.9	H56 M141 W177 G203 L241 Y245	H56-I179 HydrophobicContact CB-CD1 4.07Å; M141-I179 HydrophobicContact CE-CD1 4.41Å; M141-I179 HydrophobicContact CE-CG1 3.6Å; M141-I179 HydrophobicContact SD-CG1 4.06Å; M141-I179 PolarHBondContact SD-N 3.2Å; W177-I179 HydrophobicContact CD2-CG2 4.05Å; W177-I179 HydrophobicContact CG-CG2 4.35Å; W177-I179 HydrophobicContact CH2-CG2 4.47Å; W177-I179 HydrophobicContact CZ2-CG2 3.63Å; W177-I179 VanDerWaalsContact NE1-CG2 3.28Å; I179-G203 WeakPolarHBondContact O-CA 3.24Å; I179-G203 PolarHBondContact O-N 3.48Å; I179-L241 HydrophobicContact CG2-CD1 3.48Å; I179-L241 VanDerWaalsContact CG2-CD1 3.48Å; I179-Y245 HydrophobicContact CB-CD1 4.14Å; I179-Y245 HydrophobicContact CB-CG 4.07Å; I179-Y245 HydrophobicContact CD1-CD1 4.49Å; I179-Y245 HydrophobicContact CD1-CD2 4.04Å; I179-Y245 HydrophobicContact CD1-CG 3.82Å; I179-Y245 HydrophobicContact CG1-CG 4.36Å
180	D	98.4	Very high	98	Very high	9 Å²	9	5.8 Å²	5.8	5%	0.048	3%	0.026	C	C	.	.	S	Bend	trans	-116.4	-12.9	-169.2	-147.5	48.9	0	0	0	119	H56 M141 H178 F182 R204 Y245 H430	H56-D180 WeakPolarHBondContact NE2-CB 3.38Å; H56-D180 IonicContact NE2-OD2 2.82Å; M141-D180 HydrophobicContact SD-CB 4.32Å; H178-D180 VanDerWaalsContact C-N 3.3Å; H178-D180 PolarHBondContact O-N 2.78Å; D180-F182 WeakPolarHBondContact O-CD1 3.42Å; D180-F182 WeakPolarHBondContact O-CE1 3.3Å; D180-F182 PolarHBondContact O-N 2.76Å; D180-R204 WeakPolarHBondContact O-CD 3.39Å; D180-R204 PolarHBondContact O-NE 3.01Å; D180-R204 IonicContact OD1-CZ 2.87Å; D180-R204 IonicContact OD1-NE 3.75Å; D180-R204 PolarHBondContact OD1-NE 2.82Å; D180-R204 IonicContact OD1-NH2 3.12Å; D180-R204 PolarHBondContact OD1-NH2 3.17Å; D180-R204 IonicContact OD2-NE 3.97Å; D180-R204 IonicContact OD2-NH2 3.57Å; D180-Y245 WeakPolarHBondContact OD1-CE1 3.37Å; D180-Y245 PolarHBondContact OD1-OH 3.13Å; D180-H430 IonicContact OD2-CD2 2.82Å; D180-H430 IonicContact OD2-NE2 2.76Å; D180-H430 PolarHBondContact OD2-NE2 3.23Å
181	P	98.7	Very high	98.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	-56.4	141.7	171.2	-29.9	38.4	0	0	0	113.3	M141 S142 E144 H178 G183 H184 R204 H430	M141-P181 HydrophobicContact CG-CG 4.12Å; M141-P181 VanDerWaalsContact SD-CD 3.57Å; M141-P181 HydrophobicContact SD-CG 4.3Å; S142-P181 WeakPolarHBondContact O-CG 3.35Å; E144-P181 HydrophobicContact CG-CB 3.95Å; E144-P181 HydrophobicContact CG-CG 4.38Å; H178-P181 HydrophobicContact CB-CG 3.94Å; P181-G183 VanDerWaalsContact C-N 3.27Å; P181-G183 PolarHBondContact O-N 2.84Å; P181-H184 PolarHBondContact O-CE1 2.95Å; P181-R204 WeakPolarHBondContact O-CB 3.34Å; P181-R204 WeakPolarHBondContact O-CD 3.27Å; P181-H430 HydrophobicContact CG-CB 4.36Å
182	F	98.4	Very high	98.3	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.009	2%	0.021	C	C	.	.	S	Bend	trans	-86.1	61.8	-165.9	-38.6	-47	0	0	0	112.9	D180 Y364 W372 Y375 H430 T436 Y644	D180-F182 WeakPolarHBondContact O-CD1 3.42Å; D180-F182 WeakPolarHBondContact O-CE1 3.3Å; D180-F182 PolarHBondContact O-N 2.76Å; F182-Y364 HydrophobicContact CB-CD1 3.98Å; F182-Y364 HydrophobicContact CB-CE1 4.49Å; F182-Y364 VanDerWaalsContact O-CB 3.29Å; F182-Y364 WeakPolarHBondContact O-CB 3.33Å; F182-W372 HydrophobicContact CB-CB 4.49Å; F182-W372 HydrophobicContact CB-CD2 4.46Å; F182-W372 HydrophobicContact CB-CE3 3.67Å; F182-W372 HydrophobicContact CB-CZ3 4.26Å; F182-W372 AromaticContact CD1-CE3 3.71Å; F182-W372 HydrophobicContact CD1-CE3 3.71Å; F182-W372 HydrophobicContact CD1-CH2 4.41Å; F182-W372 AromaticContact CD1-CZ3 3.38Å; F182-W372 HydrophobicContact CD1-CZ3 3.38Å; F182-W372 HydrophobicContact CD2-CE3 4.13Å; F182-W372 HydrophobicContact CD2-CZ3 4.36Å; F182-W372 HydrophobicContact CE1-CE3 4.46Å; F182-W372 AromaticContact CE1-CZ3 3.81Å; F182-W372 HydrophobicContact CE1-CZ3 3.81Å; F182-W372 AromaticContact CG-CE3 3.54Å; F182-W372 HydrophobicContact CG-CE3 3.54Å; F182-W372 AromaticContact CG-CZ3 3.73Å; F182-W372 HydrophobicContact CG-CZ3 3.73Å; F182-W372 HydrophobicContact CZ-CZ3 4.45Å; F182-Y375 HydrophobicContact CB-CD1 4.46Å; F182-Y375 HydrophobicContact CB-CE1 3.72Å; F182-Y375 HydrophobicContact CD2-CD1 4.16Å; F182-Y375 HydrophobicContact CD2-CD2 4.17Å; F182-Y375 HydrophobicContact CD2-CE1 4Å; F182-Y375 AromaticContact CD2-CE2 3.98Å; F182-Y375 HydrophobicContact CD2-CE2 3.98Å; F182-Y375 HydrophobicContact CD2-CG 4.21Å; F182-Y375 AromaticContact CD2-CZ 3.87Å; F182-Y375 HydrophobicContact CG-CE1 4.38Å; F182-Y375 PolarHBondContact O-OH 3.35Å; F182-H430 WeakPolarHBondContact CE2-O 3.49Å; F182-H430 AromaticContact CZ-CD2 3.91Å; F182-H430 WeakPolarHBondContact CZ-O 3.36Å; F182-T436 HydrophobicContact CE2-CG2 4.13Å; F182-Y644 HydrophobicContact CD2-CD1 4.1Å; F182-Y644 HydrophobicContact CD2-CE1 4.4Å; F182-Y644 HydrophobicContact CE1-CD1 4.47Å; F182-Y644 HydrophobicContact CE1-CE1 4.1Å; F182-Y644 AromaticContact CE2-CD1 3.8Å; F182-Y644 HydrophobicContact CE2-CD1 3.8Å; F182-Y644 AromaticContact CE2-CE1 3.67Å; F182-Y644 HydrophobicContact CE2-CE1 3.67Å; F182-Y644 HydrophobicContact CZ-CD1 4.03Å; F182-Y644 AromaticContact CZ-CE1 3.51Å; F182-Y644 HydrophobicContact CZ-CE1 3.51Å
183	G	98	Very high	98.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	104.6	159.1	-166.4	0	0	0	0	0	110.8	P181 F362	P181-G183 VanDerWaalsContact C-N 3.27Å; P181-G183 PolarHBondContact O-N 2.84Å; G183-F362 VanDerWaalsContact C-CE1 3.4Å
184	H	98.8	Very high	98.4	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.016	C	C	.	.			trans	-127	131.2	-166.1	-55.7	-72.6	0	0	0	112.5	E144 H178 P181 F202 R204 W223 F361	E144-H184 IonicContact OE1-CE1 3.17Å; E144-H184 IonicContact OE1-CG 3.7Å; E144-H184 IonicContact OE1-ND1 3.34Å; E144-H184 PolarHBondContact OE1-ND1 2.78Å; E144-H184 VanDerWaalsContact OE2-CA 3.22Å; E144-H184 WeakPolarHBondContact OE2-CA 3.39Å; E144-H184 WeakPolarHBondContact OE2-CB 3.38Å; E144-H184 IonicContact OE2-ND1 3.56Å; H178-H184 PolarHBondContact O-CE1 3.45Å; P181-H184 PolarHBondContact O-CE1 2.95Å; H184-F202 HydrophobicContact CB-CD1 4.49Å; H184-F202 HydrophobicContact CB-CE1 4.44Å; H184-F202 AromaticContact CD2-CD1 3.81Å; H184-F202 AromaticContact CD2-CD2 3.22Å; H184-F202 WeakPolarHBondContact CD2-CD2 3.44Å; H184-F202 AromaticContact CD2-CE2 3.47Å; H184-F202 VanDerWaalsContact CD2-CE2 3.47Å; H184-F202 WeakPolarHBondContact CD2-CE2 3.31Å; H184-F202 AromaticContact CD2-CG 3.41Å; H184-F202 VanDerWaalsContact CD2-CG 3.41Å; H184-F202 WeakPolarHBondContact CD2-CG 3.4Å; H184-F202 AromaticContact CD2-CZ 3.88Å; H184-F202 WeakPolarHBondContact CE1-CB 3.2Å; H184-F202 AromaticContact CE1-CG 3.74Å; H184-F202 AromaticContact CG-CD1 3.89Å; H184-F202 AromaticContact CG-CG 3.85Å; H184-F202 WeakPolarHBondContact NE2-CB 2.87Å; H184-F202 AromaticContact NE2-CD2 3.18Å; H184-F202 WeakPolarHBondContact NE2-CD2 3.28Å; H184-F202 AromaticContact NE2-CE2 3.91Å; H184-F202 AromaticContact NE2-CG 3.35Å; H184-F202 VanDerWaalsContact NE2-CG 3.35Å; H184-F202 WeakPolarHBondContact NE2-CG 2.98Å; H184-R204 PolarHBondContact CD2-O 2.97Å; H184-R204 PolarHBondContact NE2-O 3.45Å; H184-W223 HydrophobicContact CB-CH2 4.09Å; H184-W223 HydrophobicContact CB-CZ3 4.36Å; H184-F361 HydrophobicContact CB-CB 4.06Å; H184-F361 HydrophobicContact CB-CD2 3.96Å; H184-F361 HydrophobicContact CB-CG 4.41Å; H184-F361 PolarHBondContact O-N 2.89Å
185	A	98.4	Very high	98.4	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.008	C	C	.	.			trans	-87.3	139.1	-174.7	0	0	0	0	0	111.7	E144 E187 H188 W223 F362 N732	E144-A185 HydrophobicContact CB-CB 3.95Å; E144-A185 WeakPolarHBondContact O-CB 3.47Å; E144-A185 PolarHBondContact OE2-N 3.39Å; A185-E187 PolarHBondContact O-N 3.29Å; A185-H188 HydrophobicContact CB-CB 4.37Å; A185-H188 PolarHBondContact O-N 3.34Å; A185-H188 VanDerWaalsContact O-N 3.17Å; A185-W223 VanDerWaalsContact O-CH2 3.28Å; A185-W223 WeakPolarHBondContact O-CH2 3.44Å; A185-F362 HydrophobicContact CB-CE2 3.88Å; A185-N732 WeakPolarHBondContact CB-OD1 3.37Å
186	R	97.9	Very high	98.4	Very high	7 Å²	7	2 Å²	2	3%	0.026	1%	0.011	C	C	.	.	H	α-helix	trans	-56.4	-40.5	170.6	-170.4	175.5	77.2	175.9	4.1	111.8	H188 A189 S190 W223 A225 D227 T358 D360 E735 L737	R186-H188 VanDerWaalsContact C-N 3.32Å; R186-H188 PolarHBondContact O-N 3.35Å; R186-A189 PolarHBondContact O-N 3.39Å; R186-S190 PolarHBondContact O-N 3.46Å; R186-W223 VanDerWaalsContact CA-CZ2 3.42Å; R186-W223 HydrophobicContact CB-CZ2 4.1Å; R186-W223 HydrophobicContact CG-CZ2 4.49Å; R186-A225 HydrophobicContact CG-CB 4.19Å; R186-A225 WeakPolarHBondContact CG-O 3.14Å; R186-A225 WeakPolarHBondContact O-CB 3.02Å; R186-D227 IonicContact CZ-OD2 3.88Å; R186-D227 IonicContact NH1-OD1 2.81Å; R186-D227 IonicContact NH1-OD2 3.05Å; R186-D227 PolarHBondContact NH1-OD2 3.11Å; R186-D227 IonicContact NH2-OD2 2.61Å; R186-D227 PolarHBondContact NH2-OD2 3.2Å; R186-T358 WeakPolarHBondContact CD-O 3.48Å; R186-T358 PolarHBondContact NH1-O 3.05Å; R186-D360 HydrophobicContact CB-CB 4.09Å; R186-E735 IonicContact CZ-OE2 3.63Å; R186-E735 IonicContact NE-OE2 3.39Å; R186-E735 IonicContact NH2-OE2 3.49Å; R186-E735 PolarHBondContact NH2-OE2 2.91Å; R186-L737 HydrophobicContact CB-CD1 4.45Å; R186-L737 VanDerWaalsContact CZ-CD2 3.42Å
187	E	98.3	Very high	98.4	Very high	1 Å²	1	2.2 Å²	2.2	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-61.4	-38.1	179.2	-174.4	56.9	-145	0	0	112.7	A185 A189 S190 L191 S731 N732 R734	A185-E187 PolarHBondContact O-N 3.29Å; E187-A189 PolarHBondContact O-N 3.5Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 3.22Å; E187-S190 VanDerWaalsContact O-N 3.12Å; E187-L191 HydrophobicContact CG-CD1 4.2Å; E187-L191 HydrophobicContact CG-CG 4.27Å; E187-L191 VanDerWaalsContact O-CG 3.29Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 3.37Å; E187-L191 WeakPolarHBondContact OE1-CD2 3.22Å; E187-S731 WeakPolarHBondContact CB-OG 3.47Å; E187-S731 PolarHBondContact N-OG 2.89Å; E187-N732 HydrophobicContact CB-CB 4.22Å; E187-N732 HydrophobicContact CG-CB 4.15Å; E187-R734 HydrophobicContact CG-CB 4.22Å; E187-R734 WeakPolarHBondContact OE1-CD 3.46Å; E187-R734 IonicContact OE1-CZ 2.77Å; E187-R734 IonicContact OE1-NE 3.7Å; E187-R734 IonicContact OE1-NH1 3.6Å; E187-R734 PolarHBondContact OE1-NH1 2.63Å; E187-R734 WeakPolarHBondContact OE2-CD 3.47Å; E187-R734 IonicContact OE2-NH1 2.98Å
188	H	98.6	Very high	98.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-61.6	-44.3	178.8	-85.7	70.4	0	0	0	112.3	S142 E144 H178 A185 R186 S190 L191 F192 N732	S142-H188 PolarHBondContact OG-NE2 3.41Å; E144-H188 HydrophobicContact CG-CB 4.37Å; E144-H188 WeakPolarHBondContact OE2-CB 3.46Å; E144-H188 IonicContact OE2-CG 3.56Å; H178-H188 AromaticContact CE1-CD2 3.81Å; A185-H188 HydrophobicContact CB-CB 4.37Å; A185-H188 PolarHBondContact O-N 3.34Å; A185-H188 VanDerWaalsContact O-N 3.17Å; R186-H188 VanDerWaalsContact C-N 3.32Å; R186-H188 PolarHBondContact O-N 3.35Å; H188-S190 VanDerWaalsContact C-N 3.29Å; H188-S190 PolarHBondContact O-N 3Å; H188-L191 PolarHBondContact O-N 2.93Å; H188-F192 HydrophobicContact CB-CE2 4.04Å; H188-F192 WeakPolarHBondContact O-CD2 3.3Å; H188-F192 WeakPolarHBondContact O-CG 3.24Å; H188-F192 PolarHBondContact O-N 2.03Å; H188-N732 PolarHBondContact ND1-OD1 3.07Å; H188-N732 VanDerWaalsContact ND1-OD1 3.13Å
189	A	98.5	Very high	98.3	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-60.2	-38.9	174.3	0	0	0	0	0	112.3	R186 E187 F192 A193 W223 A225 L236	R186-A189 PolarHBondContact O-N 3.39Å; E187-A189 PolarHBondContact O-N 3.5Å; A189-F192 PolarHBondContact O-N 2.97Å; A189-A193 WeakPolarHBondContact O-CB 3.5Å; A189-A193 PolarHBondContact O-N 2.71Å; A189-W223 HydrophobicContact CB-CD2 3.74Å; A189-W223 HydrophobicContact CB-CE3 3.5Å; A189-W223 HydrophobicContact CB-CG 4.37Å; A189-W223 HydrophobicContact CB-CH2 4.2Å; A189-W223 HydrophobicContact CB-CZ2 4.43Å; A189-W223 HydrophobicContact CB-CZ3 3.76Å; A189-A225 HydrophobicContact CB-CB 3.69Å; A189-L236 HydrophobicContact CB-CD2 4.38Å
190	S	98.4	Very high	98.4	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.007	1%	0.012	C	C	.	.	H	α-helix	trans	-64.6	-42.4	175.9	-176.8	0	0	0	0	112.1	R186 E187 H188 Q194 A225	R186-S190 PolarHBondContact O-N 3.46Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 3.22Å; E187-S190 VanDerWaalsContact O-N 3.12Å; H188-S190 VanDerWaalsContact C-N 3.29Å; H188-S190 PolarHBondContact O-N 3Å; S190-Q194 WeakPolarHBondContact O-CG 3.35Å; S190-Q194 PolarHBondContact O-N 2.75Å; S190-Q194 VanDerWaalsContact O-N 3.13Å; S190-Q194 PolarHBondContact O-NE2 3.19Å; S190-Q194 PolarHBondContact OG-NE2 3Å; S190-A225 VanDerWaalsContact N-CB 3.27Å
191	L	98.7	Very high	98.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-64.7	-46.6	176.8	-64.3	174.8	0	0	0	110.9	V152 I153 E187 H188 A193 Q194 M195 L937	V152-L191 HydrophobicContact CB-CD1 4.33Å; V152-L191 HydrophobicContact CG1-CD1 4.03Å; I153-L191 HydrophobicContact CD1-CD2 3.93Å; I153-L191 HydrophobicContact CG1-CD1 4.5Å; I153-L191 HydrophobicContact CG1-CD2 3.99Å; E187-L191 HydrophobicContact CG-CD1 4.2Å; E187-L191 HydrophobicContact CG-CG 4.27Å; E187-L191 VanDerWaalsContact O-CG 3.29Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 3.37Å; E187-L191 WeakPolarHBondContact OE1-CD2 3.22Å; H188-L191 PolarHBondContact O-N 2.93Å; L191-A193 PolarHBondContact O-N 3.27Å; L191-Q194 CarbonylContact O-C 3.3Å; L191-Q194 PolarHBondContact O-N 3.47Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; L191-M195 HydrophobicContact CB-CE 4.37Å; L191-M195 VanDerWaalsContact O-CG 3.25Å; L191-M195 WeakPolarHBondContact O-CG 3.49Å; L191-M195 PolarHBondContact O-N 3.47Å; L191-L937 HydrophobicContact CB-CD2 4.28Å; L191-L937 HydrophobicContact CD2-CD2 3.54Å
192	F	98.8	Very high	98.4	Very high	1 Å²	1	2 Å²	2	0%	0.004	1%	0.01	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177.4	-62.6	-41.3	0	0	0	112.1	M156 A176 H178 H188 A189 Q194 M195 G196 Y197 F200 L236	M156-F192 HydrophobicContact CE-CD1 4.26Å; M156-F192 HydrophobicContact CE-CE1 3.82Å; M156-F192 HydrophobicContact SD-CE1 4.21Å; A176-F192 HydrophobicContact CB-CB 4.16Å; A176-F192 HydrophobicContact CB-CD1 4.05Å; A176-F192 HydrophobicContact CB-CD2 3.54Å; A176-F192 HydrophobicContact CB-CE1 4.38Å; A176-F192 HydrophobicContact CB-CE2 3.9Å; A176-F192 HydrophobicContact CB-CG 3.65Å; A176-F192 HydrophobicContact CB-CZ 4.33Å; H178-F192 AromaticContact CD2-CZ 3.97Å; H178-F192 AromaticContact CE1-CE2 3.99Å; H178-F192 AromaticContact CE1-CZ 3.55Å; H178-F192 AromaticContact NE2-CE2 3.93Å; H178-F192 AromaticContact NE2-CZ 3.3Å; H178-F192 VanDerWaalsContact NE2-CZ 3.3Å; H178-F192 WeakPolarHBondContact NE2-CZ 3.47Å; H188-F192 HydrophobicContact CB-CE2 4.04Å; H188-F192 WeakPolarHBondContact O-CD2 3.3Å; H188-F192 WeakPolarHBondContact O-CG 3.24Å; H188-F192 PolarHBondContact O-N 2.03Å; A189-F192 PolarHBondContact O-N 2.97Å; F192-Q194 VanDerWaalsContact C-N 3.28Å; F192-Q194 PolarHBondContact O-N 2.78Å; F192-M195 HydrophobicContact CD1-SD 4.34Å; F192-M195 PolarHBondContact O-N 2.84Å; F192-M195 VanDerWaalsContact O-N 3.1Å; F192-G196 PolarHBondContact O-N 3.44Å; F192-Y197 HydrophobicContact CB-CD2 3.86Å; F192-Y197 HydrophobicContact CB-CG 4.18Å; F192-Y197 HydrophobicContact CD1-CD2 4.15Å; F192-Y197 HydrophobicContact CD1-CE2 4.01Å; F192-Y197 HydrophobicContact CG-CD2 4.4Å; F192-Y197 VanDerWaalsContact O-CD2 3.23Å; F192-Y197 WeakPolarHBondContact O-CD2 3.34Å; F192-Y197 PolarHBondContact O-N 2.9Å; F192-Y197 VanDerWaalsContact O-N 3.15Å; F192-F200 HydrophobicContact CD2-CD2 4.28Å; F192-F200 HydrophobicContact CD2-CE2 4.28Å; F192-F200 HydrophobicContact CD2-CG 4.49Å; F192-F200 HydrophobicContact CE2-CD2 4.33Å; F192-F200 AromaticContact CE2-CE2 3.9Å; F192-F200 HydrophobicContact CE2-CE2 3.9Å; F192-F200 HydrophobicContact CE2-CZ 4.06Å; F192-L236 HydrophobicContact CB-CD2 3.73Å
193	A	98.3	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-55.7	-44.4	173.1	0	0	0	0	0	112.1	A189 L191 M195 G196 L236 R948	A189-A193 WeakPolarHBondContact O-CB 3.5Å; A189-A193 PolarHBondContact O-N 2.71Å; L191-A193 PolarHBondContact O-N 3.27Å; A193-M195 VanDerWaalsContact C-N 3.32Å; A193-M195 PolarHBondContact O-N 2.7Å; A193-G196 PolarHBondContact O-N 3.31Å; A193-L236 HydrophobicContact CB-CB 4.44Å; A193-R948 VanDerWaalsContact CB-NH1 3.29Å; A193-R948 PolarHBondContact O-NE 2.91Å
194	Q	97.9	Very high	98.2	Very high	10 Å²	10	4 Å²	4	5%	0.047	2%	0.019	C	C	.	.	H	α-helix	trans	-73.5	-19.3	178.9	-70.5	173.4	79.1	0	0	114.2	S190 L191 F192 G196 L937	S190-Q194 WeakPolarHBondContact O-CG 3.35Å; S190-Q194 PolarHBondContact O-N 2.75Å; S190-Q194 VanDerWaalsContact O-N 3.13Å; S190-Q194 PolarHBondContact O-NE2 3.19Å; S190-Q194 PolarHBondContact OG-NE2 3Å; L191-Q194 CarbonylContact O-C 3.3Å; L191-Q194 PolarHBondContact O-N 3.47Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; F192-Q194 VanDerWaalsContact C-N 3.28Å; F192-Q194 PolarHBondContact O-N 2.78Å; Q194-G196 VanDerWaalsContact C-N 3.32Å; Q194-L937 HydrophobicContact CB-CB 4Å; Q194-L937 HydrophobicContact CB-CD2 3.89Å; Q194-L937 PolarHBondContact O-N 3.42Å; Q194-L937 VanDerWaalsContact O-N 3.17Å
195	M	98.3	Very high	98.1	Very high	5 Å²	5	4.3 Å²	4.3	3%	0.025	2%	0.021	C	C	.	.	H	α-helix	trans	-84.7	-5	171.5	-68.5	176.4	-172.9	0	0	112.8	I153 M156 L191 F192 A193 Y197 N936 L937	I153-M195 HydrophobicContact CG1-CE 4.19Å; M156-M195 HydrophobicContact CB-CE 3.73Å; M156-M195 HydrophobicContact CB-SD 3.89Å; M156-M195 HydrophobicContact CE-SD 3.99Å; M156-M195 HydrophobicContact CG-CE 3.9Å; M156-M195 HydrophobicContact CG-SD 3.99Å; L191-M195 HydrophobicContact CB-CE 4.37Å; L191-M195 VanDerWaalsContact O-CG 3.25Å; L191-M195 WeakPolarHBondContact O-CG 3.49Å; L191-M195 PolarHBondContact O-N 3.47Å; F192-M195 HydrophobicContact CD1-SD 4.34Å; F192-M195 PolarHBondContact O-N 2.84Å; F192-M195 VanDerWaalsContact O-N 3.1Å; A193-M195 VanDerWaalsContact C-N 3.32Å; A193-M195 PolarHBondContact O-N 2.7Å; M195-Y197 HydrophobicContact CB-CD2 3.75Å; M195-Y197 HydrophobicContact CB-CE2 3.6Å; M195-Y197 HydrophobicContact SD-CE2 4.27Å; M195-N936 PolarHBondContact O-ND2 2.81Å; M195-L937 HydrophobicContact CE-CD2 4.1Å; M195-L937 HydrophobicContact CE-CG 4.2Å; M195-L937 HydrophobicContact CG-CB 3.87Å; M195-L937 HydrophobicContact CG-CD2 4.3Å; M195-L937 HydrophobicContact CG-CG 4.25Å
196	G	97.3	Very high	98.1	Very high	5 Å²	5	4.4 Å²	4.4	5%	0.052	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	16.2	174.8	0	0	0	0	0	115	F192 A193 Q194	F192-G196 PolarHBondContact O-N 3.44Å; A193-G196 PolarHBondContact O-N 3.31Å; Q194-G196 VanDerWaalsContact C-N 3.32Å
197	Y	98.6	Very high	98.1	Very high	4 Å²	4	7.2 Å²	7.2	2%	0.016	3%	0.032	C	C	.	.			trans	-74.2	142.6	175.1	-67.7	-96.8	0	0	0	111.4	N136 M156 P173 A176 F192 M195 L236 R948	N136-Y197 PolarHBondContact O-OH 3.26Å; M156-Y197 HydrophobicContact CE-CE2 4.17Å; M156-Y197 WeakPolarHBondContact CE-OH 3.34Å; P173-Y197 HydrophobicContact CB-CE1 3.73Å; A176-Y197 HydrophobicContact CB-CD1 3.95Å; A176-Y197 HydrophobicContact CB-CE1 4.25Å; A176-Y197 HydrophobicContact CB-CG 4.29Å; F192-Y197 HydrophobicContact CB-CD2 3.86Å; F192-Y197 HydrophobicContact CB-CG 4.18Å; F192-Y197 HydrophobicContact CD1-CD2 4.15Å; F192-Y197 HydrophobicContact CD1-CE2 4.01Å; F192-Y197 HydrophobicContact CG-CD2 4.4Å; F192-Y197 VanDerWaalsContact O-CD2 3.23Å; F192-Y197 WeakPolarHBondContact O-CD2 3.34Å; F192-Y197 PolarHBondContact O-N 2.9Å; F192-Y197 VanDerWaalsContact O-N 3.15Å; M195-Y197 HydrophobicContact CB-CD2 3.75Å; M195-Y197 HydrophobicContact CB-CE2 3.6Å; M195-Y197 HydrophobicContact SD-CE2 4.27Å; Y197-L236 VanDerWaalsContact O-CD1 3.23Å; Y197-L236 WeakPolarHBondContact O-CD1 3.47Å; Y197-R948 WeakPolarHBondContact O-CD 3.43Å
198	D	98.3	Very high	98.1	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	4%	0.037	C	C	.	.	S	Bend	trans	-89.5	-26.1	-179.5	-67.3	-62.1	0	0	0	112.3	Y36 R174 L344 R948 Y949 W951	Y36-D198 WeakPolarHBondContact OH-CB 3.44Å; Y36-D198 PolarHBondContact OH-OD2 3.24Å; R174-D198 WeakPolarHBondContact CD-OD2 3.5Å; R174-D198 IonicContact NH1-OD2 3.29Å; R174-D198 PolarHBondContact O-N 2.02Å; D198-L344 HydrophobicContact CB-CD2 3.65Å; D198-R948 WeakPolarHBondContact OD1-CA 3.22Å; D198-Y949 HydrophobicContact CB-CD2 4.1Å; D198-Y949 PolarHBondContact OD1-N 2.91Å; D198-W951 PolarHBondContact O-NE1 3.33Å
199	G	98.3	Very high	98.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.8	177.3	0	0	0	0	0	114.1	V175 A176 F237	V175-G199 WeakPolarHBondContact CA-O 3.34Å; A176-G199 PolarHBondContact N-O 2.89Å; G199-F237 CarbonylContact C-O 3.23Å; G199-F237 WeakPolarHBondContact CA-O 3.45Å
200	F	98.7	Very high	98	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.7	-177.6	-176.9	-154.2	0	0	0	110.8	A176 H178 F192 F202 W223 L236 F237 T238 G239	A176-F200 HydrophobicContact CB-CB 4.38Å; A176-F200 HydrophobicContact CB-CD2 3.56Å; A176-F200 HydrophobicContact CB-CE2 4.18Å; A176-F200 HydrophobicContact CB-CG 4.3Å; A176-F200 WeakPolarHBondContact O-CA 3.5Å; H178-F200 HydrophobicContact CB-CE2 3.46Å; H178-F200 VanDerWaalsContact CB-CE2 3.46Å; H178-F200 HydrophobicContact CB-CZ 3.72Å; H178-F200 AromaticContact CG-CE2 3.6Å; H178-F200 AromaticContact CG-CZ 3.88Å; F192-F200 HydrophobicContact CD2-CD2 4.28Å; F192-F200 HydrophobicContact CD2-CE2 4.28Å; F192-F200 HydrophobicContact CD2-CG 4.49Å; F192-F200 HydrophobicContact CE2-CD2 4.33Å; F192-F200 AromaticContact CE2-CE2 3.9Å; F192-F200 HydrophobicContact CE2-CE2 3.9Å; F192-F200 HydrophobicContact CE2-CZ 4.06Å; F200-F202 HydrophobicContact CD1-CD1 4.27Å; F200-F202 HydrophobicContact CE1-CD1 4.02Å; F200-F202 HydrophobicContact CZ-CD1 4.29Å; F200-W223 HydrophobicContact CD1-CE3 4.13Å; F200-W223 AromaticContact CD1-CZ3 3.86Å; F200-W223 HydrophobicContact CD1-CZ3 3.86Å; F200-W223 HydrophobicContact CE1-CE3 4.46Å; F200-W223 AromaticContact CE1-CZ3 3.74Å; F200-W223 HydrophobicContact CE1-CZ3 3.74Å; F200-L236 HydrophobicContact CB-CD2 3.68Å; F200-L236 HydrophobicContact CB-CG 4.09Å; F200-L236 HydrophobicContact CG-CD2 4.45Å; F200-F237 PolarHBondContact N-O 3.42Å; F200-T238 HydrophobicContact CD1-CG2 4.39Å; F200-T238 CarbonylContact O-C 3.53Å; F200-T238 WeakPolarHBondContact O-CA 3.21Å; F200-G239 PolarHBondContact O-N 2.92Å
201	F	98.7	Very high	97.9	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.3	177.7	-66.8	-97.3	0	0	0	111.5	V175 A176 W177 H178 F237 G239 L241 Y343 L344	V175-F201 HydrophobicContact CG1-CD2 3.47Å; V175-F201 VanDerWaalsContact CG1-CD2 3.47Å; V175-F201 HydrophobicContact CG1-CE2 4.03Å; V175-F201 HydrophobicContact CG2-CE2 4.27Å; A176-F201 PolarHBondContact O-N 3.32Å; W177-F201 HydrophobicContact CE3-CB 3.68Å; W177-F201 HydrophobicContact CE3-CG 4.41Å; W177-F201 HydrophobicContact CZ3-CB 3.6Å; W177-F201 HydrophobicContact CZ3-CG 4.1Å; H178-F201 PolarHBondContact N-O 2.93Å; F201-F237 HydrophobicContact CZ-CE1 4.25Å; F201-G239 VanDerWaalsContact CA-O 3.29Å; F201-G239 WeakPolarHBondContact CA-O 3.44Å; F201-L241 HydrophobicContact CB-CD2 4.48Å; F201-L241 HydrophobicContact CD1-CD2 4.19Å; F201-Y343 AromaticContact CE1-CD1 3.74Å; F201-Y343 HydrophobicContact CE1-CD1 3.74Å; F201-Y343 AromaticContact CE1-CE1 3.75Å; F201-Y343 HydrophobicContact CE1-CE1 3.75Å; F201-Y343 AromaticContact CZ-CD1 3.82Å; F201-Y343 HydrophobicContact CZ-CD1 3.82Å; F201-Y343 HydrophobicContact CZ-CE1 4.18Å; F201-L344 HydrophobicContact CE2-CB 4.28Å; F201-L344 HydrophobicContact CE2-CD1 4.21Å; F201-L344 HydrophobicContact CZ-CB 4.36Å; F201-L344 HydrophobicContact CZ-CD1 4.2Å
202	F	98.4	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.6	-179.8	64.6	-108.9	0	0	0	113.5	H178 H184 F200 R204 L205 W223 T238 G239 I240 L241 F361	H178-F202 VanDerWaalsContact O-CA 3.25Å; H178-F202 WeakPolarHBondContact O-CA 3.24Å; H178-F202 WeakPolarHBondContact O-CB 3.49Å; H184-F202 HydrophobicContact CB-CD1 4.49Å; H184-F202 HydrophobicContact CB-CE1 4.44Å; H184-F202 AromaticContact CD2-CD1 3.81Å; H184-F202 AromaticContact CD2-CD2 3.22Å; H184-F202 WeakPolarHBondContact CD2-CD2 3.44Å; H184-F202 AromaticContact CD2-CE2 3.47Å; H184-F202 VanDerWaalsContact CD2-CE2 3.47Å; H184-F202 WeakPolarHBondContact CD2-CE2 3.31Å; H184-F202 AromaticContact CD2-CG 3.41Å; H184-F202 VanDerWaalsContact CD2-CG 3.41Å; H184-F202 WeakPolarHBondContact CD2-CG 3.4Å; H184-F202 AromaticContact CD2-CZ 3.88Å; H184-F202 WeakPolarHBondContact CE1-CB 3.2Å; H184-F202 AromaticContact CE1-CG 3.74Å; H184-F202 AromaticContact CG-CD1 3.89Å; H184-F202 AromaticContact CG-CG 3.85Å; H184-F202 WeakPolarHBondContact NE2-CB 2.87Å; H184-F202 AromaticContact NE2-CD2 3.18Å; H184-F202 WeakPolarHBondContact NE2-CD2 3.28Å; H184-F202 AromaticContact NE2-CE2 3.91Å; H184-F202 AromaticContact NE2-CG 3.35Å; H184-F202 VanDerWaalsContact NE2-CG 3.35Å; H184-F202 WeakPolarHBondContact NE2-CG 2.98Å; F200-F202 HydrophobicContact CD1-CD1 4.27Å; F200-F202 HydrophobicContact CE1-CD1 4.02Å; F200-F202 HydrophobicContact CZ-CD1 4.29Å; F202-R204 WeakPolarHBondContact CD2-O 3.36Å; F202-R204 WeakPolarHBondContact CE2-O 3.22Å; F202-L205 HydrophobicContact CE2-CB 4.39Å; F202-W223 HydrophobicContact CE1-CZ3 4.49Å; F202-T238 HydrophobicContact CD1-CG2 3.99Å; F202-T238 HydrophobicContact CE1-CG2 3.41Å; F202-T238 VanDerWaalsContact CE1-CG2 3.41Å; F202-T238 HydrophobicContact CZ-CG2 4.29Å; F202-G239 PolarHBondContact N-O 3.43Å; F202-I240 HydrophobicContact CD2-CG1 4.42Å; F202-I240 HydrophobicContact CE1-CG1 4.43Å; F202-I240 HydrophobicContact CE2-CB 4.44Å; F202-I240 HydrophobicContact CE2-CG1 3.6Å; F202-I240 HydrophobicContact CE2-CG2 4.4Å; F202-I240 HydrophobicContact CZ-CD1 4.35Å; F202-I240 HydrophobicContact CZ-CG1 3.6Å; F202-L241 PolarHBondContact O-N 2.88Å; F202-F361 HydrophobicContact CE1-CD2 4.04Å; F202-F361 AromaticContact CE1-CE2 3.69Å; F202-F361 HydrophobicContact CE1-CE2 3.69Å; F202-F361 HydrophobicContact CE1-CZ 4.06Å; F202-F361 HydrophobicContact CZ-CD1 4.14Å; F202-F361 AromaticContact CZ-CD2 3.82Å; F202-F361 HydrophobicContact CZ-CD2 3.82Å; F202-F361 AromaticContact CZ-CE1 3.89Å; F202-F361 HydrophobicContact CZ-CE1 3.89Å; F202-F361 AromaticContact CZ-CE2 3.59Å; F202-F361 HydrophobicContact CZ-CE2 3.59Å; F202-F361 HydrophobicContact CZ-CG 4.06Å; F202-F361 AromaticContact CZ-CZ 3.59Å; F202-F361 HydrophobicContact CZ-CZ 3.59Å
203	G	95.9	Very high	97.8	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.031	8%	0.078	C	C	.	.			trans	-102.9	-30.3	-174.8	0	0	0	0	0	115	I179 R210 G244	I179-G203 WeakPolarHBondContact O-CA 3.24Å; I179-G203 PolarHBondContact O-N 3.48Å; G203-R210 PolarHBondContact O-NH2 3.01Å; G203-G244 WeakPolarHBondContact CA-O 3.27Å
204	R	97.6	Very high	97.6	Very high	41 Å²	41	18.8 Å²	18.8	16%	0.155	9%	0.09	C	C	.	.			trans	-99.8	128.9	-170.1	-62.7	-172.2	-178.2	-85.2	8.6	112.1	D180 P181 H184 F202 Y364	D180-R204 WeakPolarHBondContact O-CD 3.39Å; D180-R204 PolarHBondContact O-NE 3.01Å; D180-R204 IonicContact OD1-CZ 2.87Å; D180-R204 IonicContact OD1-NE 3.75Å; D180-R204 PolarHBondContact OD1-NE 2.82Å; D180-R204 IonicContact OD1-NH2 3.12Å; D180-R204 PolarHBondContact OD1-NH2 3.17Å; D180-R204 IonicContact OD2-NE 3.97Å; D180-R204 IonicContact OD2-NH2 3.57Å; P181-R204 WeakPolarHBondContact O-CB 3.34Å; P181-R204 WeakPolarHBondContact O-CD 3.27Å; H184-R204 PolarHBondContact CD2-O 2.97Å; H184-R204 PolarHBondContact NE2-O 3.45Å; F202-R204 WeakPolarHBondContact CD2-O 3.36Å; F202-R204 WeakPolarHBondContact CE2-O 3.22Å; R204-Y364 HydrophobicContact CB-CD2 4.32Å; R204-Y364 HydrophobicContact CB-CE1 4.24Å; R204-Y364 HydrophobicContact CB-CE2 3.94Å; R204-Y364 HydrophobicContact CG-CE1 4.44Å; R204-Y364 PolarHBondContact NH1-OH 2.86Å
205	L	96	Very high	97.6	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	12%	0.124	C	C	.	.			trans	-153.8	147.8	-179.3	179	60.9	0	0	0	109.7	F202 Y207 D209 R210 I240 F361 Y364	F202-L205 HydrophobicContact CE2-CB 4.39Å; L205-Y207 PolarHBondContact O-N 2.78Å; L205-D209 HydrophobicContact CD1-CB 4.11Å; L205-D209 WeakPolarHBondContact CD1-OD2 3.08Å; L205-D209 HydrophobicContact CD2-CB 4.08Å; L205-D209 HydrophobicContact CG-CB 4.04Å; L205-R210 HydrophobicContact CD2-CB 4.17Å; L205-R210 HydrophobicContact CG-CB 4.47Å; L205-I240 HydrophobicContact CD2-CD1 3.76Å; L205-I240 HydrophobicContact CD2-CG1 4.42Å; L205-I240 HydrophobicContact CD2-CG2 4.27Å; L205-F361 HydrophobicContact CD1-CB 4.3Å; L205-F361 HydrophobicContact CD1-CD1 3.3Å; L205-F361 HydrophobicContact CD1-CE1 3.91Å; L205-F361 HydrophobicContact CD1-CG 4.18Å; L205-Y364 VanDerWaalsContact C-CD2 3.44Å; L205-Y364 WeakPolarHBondContact O-CE2 3.39Å
206	D	98.4	Very high	97.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	14%	0.14	C	C	.	.			trans	-46.8	129.3	171.1	-178.5	-77.6	0	0	0	111.1	Q208 D209 R210 A365 W747	D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.36Å; D206-Q208 VanDerWaalsContact OD1-CB 3.24Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D206-Q208 PolarHBondContact OD1-N 3.36Å; D206-D209 HydrophobicContact CB-CB 4.21Å; D206-D209 PolarHBondContact O-N 3.29Å; D206-D209 VanDerWaalsContact O-N 3.1Å; D206-D209 PolarHBondContact OD1-N 3.22Å; D206-R210 WeakPolarHBondContact O-CB 3.05Å; D206-R210 PolarHBondContact O-N 3.32Å; D206-A365 CarbonylContact C-O 3.58Å; D206-A365 VanDerWaalsContact CA-O 3.29Å; D206-A365 WeakPolarHBondContact CA-O 3.24Å; D206-W747 HydrophobicContact CB-CH2 3.95Å; D206-W747 HydrophobicContact CB-CZ2 3.98Å; D206-W747 VanDerWaalsContact CG-CZ2 3.48Å; D206-W747 WeakPolarHBondContact OD1-CZ2 3.18Å
207	Y	97.9	Very high	97.4	Very high	66 Å²	66	30.9 Å²	30.9	26%	0.259	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-30.4	-173.5	78.2	-81.5	0	0	0	113.1	L205 A211 A365 S367 A368	L205-Y207 PolarHBondContact O-N 2.78Å; Y207-A211 WeakPolarHBondContact O-CB 3.27Å; Y207-A211 PolarHBondContact O-N 3.35Å; Y207-A211 VanDerWaalsContact O-N 3.11Å; Y207-A365 HydrophobicContact CD1-CB 4.32Å; Y207-A365 PolarHBondContact N-O 2.95Å; Y207-S367 VanDerWaalsContact CE1-C 3.4Å; Y207-A368 WeakPolarHBondContact OH-CA 3.47Å
208	Q	98.3	Very high	97.3	Very high	23 Å²	23	32.5 Å²	32.5	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-75	-41.1	175.9	-53.7	-176.9	24.3	0	0	110.9	D206 A211 R212 K750	D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 WeakPolarHBondContact OD1-CA 3.36Å; D206-Q208 VanDerWaalsContact OD1-CB 3.24Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D206-Q208 PolarHBondContact OD1-N 3.36Å; Q208-A211 PolarHBondContact O-N 2.77Å; Q208-R212 WeakPolarHBondContact O-CB 3.32Å; Q208-R212 PolarHBondContact O-N 2.98Å; Q208-K750 PolarHBondContact NE2-O 2.76Å
209	D	97.9	Very high	97.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-45.2	174.4	-165.1	19.9	0	0	0	110.7	L205 D206 A211 R212 R213 T746 W747	L205-D209 HydrophobicContact CD1-CB 4.11Å; L205-D209 WeakPolarHBondContact CD1-OD2 3.08Å; L205-D209 HydrophobicContact CD2-CB 4.08Å; L205-D209 HydrophobicContact CG-CB 4.04Å; D206-D209 HydrophobicContact CB-CB 4.21Å; D206-D209 PolarHBondContact O-N 3.29Å; D206-D209 VanDerWaalsContact O-N 3.1Å; D206-D209 PolarHBondContact OD1-N 3.22Å; D209-A211 PolarHBondContact O-N 2.81Å; D209-R212 PolarHBondContact O-N 2.93Å; D209-R213 VanDerWaalsContact CG-NE 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.29Å; D209-R213 VanDerWaalsContact O-CG 3.31Å; D209-R213 WeakPolarHBondContact O-CG 3.36Å; D209-R213 PolarHBondContact O-N 2.95Å; D209-R213 IonicContact OD1-CZ 3.24Å; D209-R213 IonicContact OD1-NE 3.48Å; D209-R213 PolarHBondContact OD1-NE 3.05Å; D209-R213 VanDerWaalsContact OD1-NE 3.12Å; D209-R213 IonicContact OD1-NH2 2.97Å; D209-R213 IonicContact OD2-CZ 3.02Å; D209-R213 IonicContact OD2-NE 3.18Å; D209-R213 PolarHBondContact OD2-NE 2.75Å; D209-R213 IonicContact OD2-NH2 2.7Å; D209-R213 PolarHBondContact OD2-NH2 3.46Å; D209-T746 VanDerWaalsContact OD1-CG2 3.23Å; D209-T746 WeakPolarHBondContact OD1-CG2 3.46Å; D209-W747 HydrophobicContact CB-CD2 4.04Å; D209-W747 HydrophobicContact CB-CE3 3.55Å; D209-W747 HydrophobicContact CB-CH2 4Å; D209-W747 HydrophobicContact CB-CZ2 4.4Å; D209-W747 HydrophobicContact CB-CZ3 3.57Å
210	R	97.2	Very high	97.1	Very high	37 Å²	37	32.4 Å²	32.4	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-54.5	-50.7	175.2	178.8	174.4	-70	-80.6	-10.7	111.7	G203 L205 D206 R212 R213 M214 L241 P242	G203-R210 PolarHBondContact O-NH2 3.01Å; L205-R210 HydrophobicContact CD2-CB 4.17Å; L205-R210 HydrophobicContact CG-CB 4.47Å; D206-R210 WeakPolarHBondContact O-CB 3.05Å; D206-R210 PolarHBondContact O-N 3.32Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 3.25Å; R210-R213 PolarHBondContact O-N 2.61Å; R210-M214 HydrophobicContact CG-CE 3.81Å; R210-M214 HydrophobicContact CG-CG 4.46Å; R210-M214 HydrophobicContact CG-SD 4.02Å; R210-M214 WeakPolarHBondContact O-CB 3.09Å; R210-M214 WeakPolarHBondContact O-CG 3.24Å; R210-M214 PolarHBondContact O-N 3.4Å; R210-L241 PolarHBondContact NH1-O 3.31Å; R210-L241 PolarHBondContact NH2-O 2.75Å; R210-P242 PolarHBondContact NH1-O 2.7Å
211	A	96.9	Very high	97.1	Very high	49 Å²	49	32.4 Å²	32.4	41%	0.405	16%	0.163	S	C	.	.	H	α-helix	trans	-60	-43.5	179	0	0	0	0	0	112.2	Y207 Q208 D209 N215	Y207-A211 WeakPolarHBondContact O-CB 3.27Å; Y207-A211 PolarHBondContact O-N 3.35Å; Y207-A211 VanDerWaalsContact O-N 3.11Å; Q208-A211 PolarHBondContact O-N 2.77Å; D209-A211 PolarHBondContact O-N 2.81Å; A211-N215 VanDerWaalsContact O-CG 3.28Å; A211-N215 PolarHBondContact O-N 2.88Å; A211-N215 VanDerWaalsContact O-N 3.16Å; A211-N215 PolarHBondContact O-ND2 3.48Å
212	R	97.2	Very high	97	Very high	83 Å²	83	32.4 Å²	32.4	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-44.1	177.6	178.8	-98	175.3	-161.4	-12.5	111.7	Q208 D209 R210 N215 A216 E218 T746 W747	Q208-R212 WeakPolarHBondContact O-CB 3.32Å; Q208-R212 PolarHBondContact O-N 2.98Å; D209-R212 PolarHBondContact O-N 2.93Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 3.25Å; R212-N215 PolarHBondContact O-N 3.45Å; R212-A216 WeakPolarHBondContact O-CB 3.29Å; R212-A216 PolarHBondContact O-N 3.38Å; R212-E218 IonicContact CZ-OE1 2.67Å; R212-E218 IonicContact CZ-OE2 3.55Å; R212-E218 IonicContact NH1-OE1 3.51Å; R212-E218 IonicContact NH1-OE2 3.85Å; R212-E218 PolarHBondContact NH1-OE2 3.26Å; R212-E218 VanDerWaalsContact NH2-CD 3.3Å; R212-E218 IonicContact NH2-OE1 2.76Å; R212-E218 PolarHBondContact NH2-OE1 3.24Å; R212-E218 IonicContact NH2-OE2 3.76Å; R212-E218 PolarHBondContact NH2-OE2 3.09Å; R212-T746 PolarHBondContact NE-O 3.04Å; R212-W747 HydrophobicContact CB-CB 4.46Å; R212-W747 HydrophobicContact CG-CB 4.38Å
213	R	96.8	Very high	97	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-40.6	179.5	-72.2	178.1	-177.3	-75.7	-3.3	112.9	D209 R210 N215 A216 K217 E218	D209-R213 VanDerWaalsContact CG-NE 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.29Å; D209-R213 VanDerWaalsContact O-CG 3.31Å; D209-R213 WeakPolarHBondContact O-CG 3.36Å; D209-R213 PolarHBondContact O-N 2.95Å; D209-R213 IonicContact OD1-CZ 3.24Å; D209-R213 IonicContact OD1-NE 3.48Å; D209-R213 PolarHBondContact OD1-NE 3.05Å; D209-R213 VanDerWaalsContact OD1-NE 3.12Å; D209-R213 IonicContact OD1-NH2 2.97Å; D209-R213 IonicContact OD2-CZ 3.02Å; D209-R213 IonicContact OD2-NE 3.18Å; D209-R213 PolarHBondContact OD2-NE 2.75Å; D209-R213 IonicContact OD2-NH2 2.7Å; D209-R213 PolarHBondContact OD2-NH2 3.46Å; R210-R213 PolarHBondContact O-N 2.61Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 2.76Å; R213-A216 CarbonylContact O-C 3.37Å; R213-A216 PolarHBondContact O-N 3.11Å; R213-K217 WeakPolarHBondContact O-CA 3.47Å; R213-K217 PolarHBondContact O-N 3.22Å; R213-E218 HydrophobicContact CB-CB 4.43Å; R213-E218 HydrophobicContact CG-CB 4.33Å; R213-E218 PolarHBondContact NH1-O 2.94Å; R213-E218 VanDerWaalsContact NH1-O 3.08Å; R213-E218 PolarHBondContact O-N 3.1Å
214	M	95.9	Very high	97	Very high	48 Å²	48	33.1 Å²	33.1	24%	0.236	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-45.1	174	-75.8	178.7	169.1	0	0	111.2	R210 A216 K217 Q219 V290	R210-M214 HydrophobicContact CG-CE 3.81Å; R210-M214 HydrophobicContact CG-CG 4.46Å; R210-M214 HydrophobicContact CG-SD 4.02Å; R210-M214 WeakPolarHBondContact O-CB 3.09Å; R210-M214 WeakPolarHBondContact O-CG 3.24Å; R210-M214 PolarHBondContact O-N 3.4Å; M214-A216 PolarHBondContact O-N 3Å; M214-K217 PolarHBondContact O-N 2.89Å; M214-Q219 HydrophobicContact CG-CG 4.35Å; M214-Q219 VanDerWaalsContact CG-NE2 3.31Å; M214-V290 HydrophobicContact CB-CB 4.15Å; M214-V290 HydrophobicContact CB-CG1 3.76Å; M214-V290 HydrophobicContact CG-CB 4.18Å; M214-V290 HydrophobicContact CG-CG1 4.02Å; M214-V290 HydrophobicContact CG-CG2 4.49Å
215	N	96.1	Very high	96.9	Very high	143 Å²	143	31.1 Å²	31.1	77%	0.765	16%	0.157	S	C	*	.	H	α-helix	trans	-65.2	-37.5	177.2	-70.7	-25	0	0	0	113	A211 R212 R213	A211-N215 VanDerWaalsContact O-CG 3.28Å; A211-N215 PolarHBondContact O-N 2.88Å; A211-N215 VanDerWaalsContact O-N 3.16Å; A211-N215 PolarHBondContact O-ND2 3.48Å; R212-N215 PolarHBondContact O-N 3.45Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 2.76Å
216	A	96.2	Very high	96.9	Very high	43 Å²	43	30.9 Å²	30.9	36%	0.355	16%	0.156	S	C	.	.	H	α-helix	trans	-86.8	-5.6	-178.6	0	0	0	0	0	114	R212 R213 M214 E218	R212-A216 WeakPolarHBondContact O-CB 3.29Å; R212-A216 PolarHBondContact O-N 3.38Å; R213-A216 CarbonylContact O-C 3.37Å; R213-A216 PolarHBondContact O-N 3.11Å; M214-A216 PolarHBondContact O-N 3Å; A216-E218 VanDerWaalsContact C-N 3.3Å; A216-E218 HydrophobicContact CB-CB 4.35Å; A216-E218 HydrophobicContact CB-CG 3.76Å
217	K	96.3	Very high	96.6	Very high	89 Å²	89	34.7 Å²	34.7	39%	0.387	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	42.9	-169.2	-51	-176.9	175.7	-139.4	0	112.7	R213 M214 L289 V290 K292	R213-K217 WeakPolarHBondContact O-CA 3.47Å; R213-K217 PolarHBondContact O-N 3.22Å; M214-K217 PolarHBondContact O-N 2.89Å; K217-L289 WeakPolarHBondContact CE-O 3.36Å; K217-L289 PolarHBondContact NZ-O 3.26Å; K217-V290 WeakPolarHBondContact CA-O 3.3Å; K217-K292 HydrophobicContact CB-CG 4.13Å; K217-K292 VanDerWaalsContact O-CE 3.3Å; K217-K292 WeakPolarHBondContact O-CE 3.48Å; K217-K292 WeakPolarHBondContact O-CG 3.47Å
218	E	96.1	Very high	96.5	Very high	38 Å²	38	32.4 Å²	32.4	18%	0.178	17%	0.17	C	C	.	.			trans	-113.9	31.4	-178.7	-63.2	-176.2	-155	0	0	112.1	R212 R213 A216 P355	R212-E218 IonicContact CZ-OE1 2.67Å; R212-E218 IonicContact CZ-OE2 3.55Å; R212-E218 IonicContact NH1-OE1 3.51Å; R212-E218 IonicContact NH1-OE2 3.85Å; R212-E218 PolarHBondContact NH1-OE2 3.26Å; R212-E218 VanDerWaalsContact NH2-CD 3.3Å; R212-E218 IonicContact NH2-OE1 2.76Å; R212-E218 PolarHBondContact NH2-OE1 3.24Å; R212-E218 IonicContact NH2-OE2 3.76Å; R212-E218 PolarHBondContact NH2-OE2 3.09Å; R213-E218 HydrophobicContact CB-CB 4.43Å; R213-E218 HydrophobicContact CG-CB 4.33Å; R213-E218 PolarHBondContact NH1-O 2.94Å; R213-E218 VanDerWaalsContact NH1-O 3.08Å; R213-E218 PolarHBondContact O-N 3.1Å; A216-E218 VanDerWaalsContact C-N 3.3Å; A216-E218 HydrophobicContact CB-CB 4.35Å; A216-E218 HydrophobicContact CB-CG 3.76Å; E218-P355 HydrophobicContact CB-CG 4.08Å; E218-P355 HydrophobicContact CG-CB 4.32Å; E218-P355 HydrophobicContact CG-CG 3.99Å
219	Q	95.8	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-70.8	-19.3	170.1	-65.2	-72.8	54.8	0	0	112	M214 I240 Y291	M214-Q219 HydrophobicContact CG-CG 4.35Å; M214-Q219 VanDerWaalsContact CG-NE2 3.31Å; Q219-I240 HydrophobicContact CB-CB 4.36Å; Q219-I240 PolarHBondContact O-N 3.03Å; Q219-Y291 HydrophobicContact CB-CD1 4.39Å; Q219-Y291 HydrophobicContact CB-CE1 3.94Å
220	E	97.8	Very high	95.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.7	177.9	-70.3	169.1	150.9	0	0	108.8	F237 T238 Y291 Y343 L347 W354 P355	E220-F237 HydrophobicContact CB-CE2 4.4Å; E220-F237 HydrophobicContact CB-CZ 3.79Å; E220-F237 HydrophobicContact CG-CZ 4.05Å; E220-T238 WeakPolarHBondContact CA-O 3.2Å; E220-Y291 HydrophobicContact CG-CD1 3.95Å; E220-Y291 HydrophobicContact CG-CE1 4.09Å; E220-Y343 PolarHBondContact OE1-OH 3.41Å; E220-L347 HydrophobicContact CG-CD1 4.44Å; E220-L347 WeakPolarHBondContact OE1-CD1 3.16Å; E220-L347 VanDerWaalsContact OE1-CD2 3.3Å; E220-L347 WeakPolarHBondContact OE1-CD2 3.22Å; E220-W354 HydrophobicContact CB-CE3 3.67Å; E220-W354 HydrophobicContact CB-CH2 4.2Å; E220-W354 HydrophobicContact CB-CZ3 3.31Å; E220-W354 HydrophobicContact CG-CZ3 4.19Å; E220-W354 VanDerWaalsContact OE2-CZ3 3.31Å; E220-W354 WeakPolarHBondContact OE2-CZ3 3.18Å; E220-P355 WeakPolarHBondContact O-CD 3.43Å; E220-P355 WeakPolarHBondContact O-CG 3.37Å
221	L	97.2	Very high	95.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.4	-169.4	66.1	89.4	0	0	0	112.2	W223 T238 I240 P355 K357 F361	L221-W223 HydrophobicContact CD1-CB 3.84Å; L221-T238 HydrophobicContact CD1-CG2 4.36Å; L221-T238 PolarHBondContact N-O 3.35Å; L221-T238 PolarHBondContact O-N 3.35Å; L221-I240 HydrophobicContact CD2-CD1 4.37Å; L221-P355 WeakPolarHBondContact CA-O 3.31Å; L221-P355 HydrophobicContact CB-CG 3.79Å; L221-P355 WeakPolarHBondContact CB-O 3.29Å; L221-K357 HydrophobicContact CD1-CB 3.89Å; L221-F361 HydrophobicContact CD2-CZ 4.09Å
222	L	97.5	Very high	95.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.1	166	-173.8	60.2	0	0	0	109	D235 W354 P355 L356 K357 W951 P953	L222-D235 HydrophobicContact CD1-CB 4.09Å; L222-D235 HydrophobicContact CD2-CB 4.48Å; L222-D235 HydrophobicContact CG-CB 4.38Å; L222-W354 HydrophobicContact CB-CB 4.34Å; L222-P355 PolarHBondContact N-O 2.85Å; L222-L356 HydrophobicContact CB-CD1 4.37Å; L222-L356 HydrophobicContact CD2-CD1 4.38Å; L222-L356 HydrophobicContact CG-CD1 4.31Å; L222-L356 WeakPolarHBondContact O-CA 3.3Å; L222-K357 PolarHBondContact O-N 3Å; L222-W951 HydrophobicContact CD1-CB 3.77Å; L222-W951 HydrophobicContact CD1-CG 4.25Å; L222-W951 HydrophobicContact CD2-CB 4.2Å; L222-P953 HydrophobicContact CD2-CB 4.08Å; L222-P953 HydrophobicContact CD2-CG 4.36Å
223	W	97.4	Very high	94.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.5	178	-165.5	-2.8	0	0	0	110	H184 A185 R186 A189 F200 F202 L221 A225 D235 L236 T238 D359 F361	H184-W223 HydrophobicContact CB-CH2 4.09Å; H184-W223 HydrophobicContact CB-CZ3 4.36Å; A185-W223 VanDerWaalsContact O-CH2 3.28Å; A185-W223 WeakPolarHBondContact O-CH2 3.44Å; R186-W223 VanDerWaalsContact CA-CZ2 3.42Å; R186-W223 HydrophobicContact CB-CZ2 4.1Å; R186-W223 HydrophobicContact CG-CZ2 4.49Å; A189-W223 HydrophobicContact CB-CD2 3.74Å; A189-W223 HydrophobicContact CB-CE3 3.5Å; A189-W223 HydrophobicContact CB-CG 4.37Å; A189-W223 HydrophobicContact CB-CH2 4.2Å; A189-W223 HydrophobicContact CB-CZ2 4.43Å; A189-W223 HydrophobicContact CB-CZ3 3.76Å; F200-W223 HydrophobicContact CD1-CE3 4.13Å; F200-W223 AromaticContact CD1-CZ3 3.86Å; F200-W223 HydrophobicContact CD1-CZ3 3.86Å; F200-W223 HydrophobicContact CE1-CE3 4.46Å; F200-W223 AromaticContact CE1-CZ3 3.74Å; F200-W223 HydrophobicContact CE1-CZ3 3.74Å; F202-W223 HydrophobicContact CE1-CZ3 4.49Å; L221-W223 HydrophobicContact CD1-CB 3.84Å; W223-A225 PolarHBondContact O-N 3.05Å; W223-D235 CarbonylContact O-C 3.5Å; W223-D235 WeakPolarHBondContact O-CA 3.37Å; W223-L236 PolarHBondContact N-O 3.37Å; W223-L236 PolarHBondContact O-N 2.8Å; W223-T238 WeakPolarHBondContact CB-OG1 3.31Å; W223-T238 HydrophobicContact CE3-CG2 4.15Å; W223-D359 PolarHBondContact NE1-O 2.81Å; W223-F361 HydrophobicContact CD2-CE2 4.07Å; W223-F361 HydrophobicContact CE3-CD2 4.38Å; W223-F361 AromaticContact CE3-CE2 3.75Å; W223-F361 HydrophobicContact CE3-CE2 3.75Å; W223-F361 AromaticContact CH2-CD2 3.47Å; W223-F361 HydrophobicContact CH2-CD2 3.47Å; W223-F361 VanDerWaalsContact CH2-CD2 3.47Å; W223-F361 AromaticContact CH2-CE2 3.7Å; W223-F361 HydrophobicContact CH2-CE2 3.7Å; W223-F361 AromaticContact CZ2-CD2 3.85Å; W223-F361 HydrophobicContact CZ2-CD2 3.85Å; W223-F361 AromaticContact CZ2-CE2 3.98Å; W223-F361 HydrophobicContact CZ2-CE2 3.98Å; W223-F361 AromaticContact CZ3-CD2 3.74Å; W223-F361 HydrophobicContact CZ3-CD2 3.74Å; W223-F361 AromaticContact CZ3-CE2 3.54Å; W223-F361 HydrophobicContact CZ3-CE2 3.54Å
224	R	96	Very high	94.8	Very high	17 Å²	17	32.3 Å²	32.3	6%	0.064	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	102.8	169.8	176.3	159.9	-62.5	156.6	6.3	109.4	D235 L356 K357 T358 E957	R224-D235 WeakPolarHBondContact CA-OD1 3.48Å; R224-D235 WeakPolarHBondContact CB-OD1 3.35Å; R224-D235 VanDerWaalsContact CG-OD1 3.32Å; R224-D235 WeakPolarHBondContact CG-OD1 3.39Å; R224-D235 IonicContact CZ-OD1 3.64Å; R224-D235 IonicContact CZ-OD2 3.82Å; R224-D235 IonicContact NE-OD1 2.67Å; R224-D235 PolarHBondContact NE-OD1 3.27Å; R224-D235 IonicContact NE-OD2 3.81Å; R224-D235 PolarHBondContact NE-OD2 3.34Å; R224-D235 IonicContact NH2-OD1 3.23Å; R224-D235 IonicContact NH2-OD2 3Å; R224-D235 PolarHBondContact NH2-OD2 2.9Å; R224-L356 HydrophobicContact CB-CD1 3.94Å; R224-K357 PolarHBondContact N-O 3.01Å; R224-T358 HydrophobicContact CB-CG2 4.25Å; R224-E957 IonicContact CZ-OE2 3.25Å; R224-E957 IonicContact NH1-OE2 3.79Å; R224-E957 PolarHBondContact NH1-OE2 2.82Å
225	A	96.8	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.			trans	-92.7	6.3	-166.3	0	0	0	0	0	114.9	R186 A189 S190 W223 A234	R186-A225 HydrophobicContact CG-CB 4.19Å; R186-A225 WeakPolarHBondContact CG-O 3.14Å; R186-A225 WeakPolarHBondContact O-CB 3.02Å; A189-A225 HydrophobicContact CB-CB 3.69Å; S190-A225 VanDerWaalsContact N-CB 3.27Å; W223-A225 PolarHBondContact O-N 3.05Å; A225-A234 HydrophobicContact CB-CB 4.39Å; A225-A234 VanDerWaalsContact CB-O 3.23Å; A225-A234 WeakPolarHBondContact CB-O 2.95Å; A225-A234 PolarHBondContact N-O 3.17Å; A225-A234 VanDerWaalsContact N-O 3.14Å
226	S	96	Very high	94.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	13%	0.134	C	C	.	.			trans	-154.4	140.7	174.7	173.2	0	0	0	0	111.1	S228 L229 E735	S226-S228 PolarHBondContact OG-N 3.28Å; S226-L229 WeakPolarHBondContact OG-CG 3.49Å; S226-L229 PolarHBondContact OG-N 2.83Å; S226-E735 WeakPolarHBondContact CB-OE1 3.39Å; S226-E735 PolarHBondContact OG-OE1 3.26Å
227	D	92.1	Very high	94.9	Very high	81 Å²	81	21.8 Å²	21.8	43%	0.433	12%	0.117	S	C	.	.	S	Bend	trans	-87.1	-14.5	173	-53.9	-49.9	0	0	0	111.9	R186	R186-D227 IonicContact CZ-OD2 3.88Å; R186-D227 IonicContact NH1-OD1 2.81Å; R186-D227 IonicContact NH1-OD2 3.05Å; R186-D227 PolarHBondContact NH1-OD2 3.11Å; R186-D227 IonicContact NH2-OD2 2.61Å; R186-D227 PolarHBondContact NH2-OD2 3.2Å
228	S	94.5	Very high	95.1	Very high	18 Å²	18	17.6 Å²	17.6	13%	0.126	10%	0.099	C	C	.	.	S	Bend	trans	-102.3	-33.6	-174.7	-58.5	0	0	0	0	112.9	S226 Q905 S906	S226-S228 PolarHBondContact OG-N 3.28Å; S228-Q905 VanDerWaalsContact OG-CA 3.31Å; S228-Q905 WeakPolarHBondContact OG-CA 3.39Å; S228-Q905 WeakPolarHBondContact OG-CB 3.23Å; S228-S906 PolarHBondContact OG-N 3.05Å
229	L	93.4	Very high	95.1	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-78.4	131.5	178.3	-62.3	177.1	0	0	0	110	S226 P231 M233 A234 M977 E978	S226-L229 WeakPolarHBondContact OG-CG 3.49Å; S226-L229 PolarHBondContact OG-N 2.83Å; L229-P231 WeakPolarHBondContact O-CD 3.14Å; L229-M233 HydrophobicContact CB-CE 3.64Å; L229-M233 HydrophobicContact CD1-CE 4.08Å; L229-M233 HydrophobicContact CD2-CE 3.22Å; L229-M233 HydrophobicContact CG-CE 3.8Å; L229-A234 HydrophobicContact CB-CB 4.15Å; L229-A234 HydrophobicContact CD1-CB 3.95Å; L229-M977 HydrophobicContact CD2-CB 4.06Å; L229-M977 WeakPolarHBondContact CD2-O 3.28Å; L229-M977 HydrophobicContact CG-CB 4.24Å; L229-E978 HydrophobicContact CD2-CB 4.4Å
230	T	89.1	Confident	95.2	Very high	51 Å²	51	15.9 Å²	15.9	31%	0.313	9%	0.092	S	C	.	.	P	Polyproline II helix	trans	-62.8	122.2	-178	-52.2	0	0	0	0	110.4	M233	T230-M233 WeakPolarHBondContact O-CB 3.31Å; T230-M233 PolarHBondContact O-N 2.8Å
231	P	89.3	Confident	95.2	Very high	26 Å²	26	15.9 Å²	15.9	17%	0.169	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	143.6	175.8	-20.2	31.1	0	0	0	111	L229 P959	L229-P231 WeakPolarHBondContact O-CD 3.14Å; P231-P959 HydrophobicContact CB-CG 4.18Å; P231-P959 HydrophobicContact CG-CG 4.48Å
232	P	90.6	Very high	94.5	Very high	64 Å²	64	16.3 Å²	16.3	42%	0.416	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.5	21.4	8	37.3	-36.3	0	0	0	114.2	A234 D235 R948	P232-A234 PolarHBondContact O-N 2.84Å; P232-A234 VanDerWaalsContact O-N 3.08Å; P232-D235 HydrophobicContact CB-CB 4.02Å; P232-D235 PolarHBondContact O-N 2.95Å; P232-R948 PolarHBondContact O-NH2 3.26Å
233	M	91.3	Very high	94	Very high	46 Å²	46	19.6 Å²	19.6	23%	0.227	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.1	-168.7	-165.9	170.1	70.6	0	0	114.4	L229 T230 R948	L229-M233 HydrophobicContact CB-CE 3.64Å; L229-M233 HydrophobicContact CD1-CE 4.08Å; L229-M233 HydrophobicContact CD2-CE 3.22Å; L229-M233 HydrophobicContact CG-CE 3.8Å; T230-M233 WeakPolarHBondContact O-CB 3.31Å; T230-M233 PolarHBondContact O-N 2.8Å; M233-R948 PolarHBondContact O-NH2 3.32Å
234	A	94.9	Very high	93.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	11.2	174.7	0	0	0	0	0	113	A225 L229 P232	A225-A234 HydrophobicContact CB-CB 4.39Å; A225-A234 VanDerWaalsContact CB-O 3.23Å; A225-A234 WeakPolarHBondContact CB-O 2.95Å; A225-A234 PolarHBondContact N-O 3.17Å; A225-A234 VanDerWaalsContact N-O 3.14Å; L229-A234 HydrophobicContact CB-CB 4.15Å; L229-A234 HydrophobicContact CD1-CB 3.95Å; P232-A234 PolarHBondContact O-N 2.84Å; P232-A234 VanDerWaalsContact O-N 3.08Å
235	D	95.6	Very high	93.6	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.064	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134	174	-70.6	5.5	0	0	0	108.4	L222 W223 R224 P232 R948	L222-D235 HydrophobicContact CD1-CB 4.09Å; L222-D235 HydrophobicContact CD2-CB 4.48Å; L222-D235 HydrophobicContact CG-CB 4.38Å; W223-D235 CarbonylContact O-C 3.5Å; W223-D235 WeakPolarHBondContact O-CA 3.37Å; R224-D235 WeakPolarHBondContact CA-OD1 3.48Å; R224-D235 WeakPolarHBondContact CB-OD1 3.35Å; R224-D235 VanDerWaalsContact CG-OD1 3.32Å; R224-D235 WeakPolarHBondContact CG-OD1 3.39Å; R224-D235 IonicContact CZ-OD1 3.64Å; R224-D235 IonicContact CZ-OD2 3.82Å; R224-D235 IonicContact NE-OD1 2.67Å; R224-D235 PolarHBondContact NE-OD1 3.27Å; R224-D235 IonicContact NE-OD2 3.81Å; R224-D235 PolarHBondContact NE-OD2 3.34Å; R224-D235 IonicContact NH2-OD1 3.23Å; R224-D235 IonicContact NH2-OD2 3Å; R224-D235 PolarHBondContact NH2-OD2 2.9Å; P232-D235 HydrophobicContact CB-CB 4.02Å; P232-D235 PolarHBondContact O-N 2.95Å; D235-R948 PolarHBondContact O-NH1 3.33Å; D235-R948 PolarHBondContact O-NH2 2.97Å
236	L	97.7	Very high	93.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.9	-179.1	-171.3	58.8	0	0	0	110.6	A189 F192 A193 Y197 F200 W223 T238	A189-L236 HydrophobicContact CB-CD2 4.38Å; F192-L236 HydrophobicContact CB-CD2 3.73Å; A193-L236 HydrophobicContact CB-CB 4.44Å; Y197-L236 VanDerWaalsContact O-CD1 3.23Å; Y197-L236 WeakPolarHBondContact O-CD1 3.47Å; F200-L236 HydrophobicContact CB-CD2 3.68Å; F200-L236 HydrophobicContact CB-CG 4.09Å; F200-L236 HydrophobicContact CG-CD2 4.45Å; W223-L236 PolarHBondContact N-O 3.37Å; W223-L236 PolarHBondContact O-N 2.8Å; L236-T238 PolarHBondContact O-N 3.29Å; L236-T238 PolarHBondContact O-OG1 3.14Å
237	F	98.5	Very high	93.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.6	172.8	-178	-87.4	0	0	0	109.8	G199 F200 F201 E220 L344 L347 W354 W951	G199-F237 CarbonylContact C-O 3.23Å; G199-F237 WeakPolarHBondContact CA-O 3.45Å; F200-F237 PolarHBondContact N-O 3.42Å; F201-F237 HydrophobicContact CZ-CE1 4.25Å; E220-F237 HydrophobicContact CB-CE2 4.4Å; E220-F237 HydrophobicContact CB-CZ 3.79Å; E220-F237 HydrophobicContact CG-CZ 4.05Å; F237-L344 HydrophobicContact CB-CD1 4.24Å; F237-L344 HydrophobicContact CD1-CD1 3.27Å; F237-L344 HydrophobicContact CE1-CD1 3.82Å; F237-L344 HydrophobicContact CG-CD1 3.89Å; F237-L347 HydrophobicContact CE1-CD1 3.55Å; F237-L347 HydrophobicContact CZ-CB 4.38Å; F237-L347 HydrophobicContact CZ-CD1 3.49Å; F237-L347 VanDerWaalsContact CZ-CD1 3.49Å; F237-W354 HydrophobicContact CD2-CD2 4.41Å; F237-W354 HydrophobicContact CD2-CG 4.37Å; F237-W354 AromaticContact CE2-CD2 3.58Å; F237-W354 HydrophobicContact CE2-CD2 3.58Å; F237-W354 AromaticContact CE2-CE2 3.59Å; F237-W354 AromaticContact CE2-CE3 3.92Å; F237-W354 HydrophobicContact CE2-CE3 3.92Å; F237-W354 AromaticContact CE2-CG 3.96Å; F237-W354 HydrophobicContact CE2-CG 3.96Å; F237-W354 HydrophobicContact CE2-CH2 4.22Å; F237-W354 AromaticContact CE2-CZ2 3.92Å; F237-W354 HydrophobicContact CE2-CZ2 3.92Å; F237-W354 HydrophobicContact CE2-CZ3 4.24Å; F237-W354 AromaticContact CE2-NE1 3.98Å; F237-W354 HydrophobicContact CZ-CD2 4.47Å; F237-W354 HydrophobicContact CZ-CE3 4.43Å; F237-W354 HydrophobicContact CZ-CH2 4.32Å; F237-W354 HydrophobicContact CZ-CZ2 4.36Å; F237-W354 HydrophobicContact CZ-CZ3 4.37Å; F237-W951 HydrophobicContact CB-CD2 3.84Å; F237-W951 VanDerWaalsContact CB-CE2 3.41Å; F237-W951 HydrophobicContact CB-CE3 4.49Å; F237-W951 HydrophobicContact CB-CG 4.15Å; F237-W951 HydrophobicContact CB-CH2 4.34Å; F237-W951 HydrophobicContact CB-CZ2 3.71Å; F237-W951 HydrophobicContact CD1-CH2 4.38Å; F237-W951 HydrophobicContact CD1-CZ2 4.37Å; F237-W951 AromaticContact CD2-CD2 3.72Å; F237-W951 HydrophobicContact CD2-CD2 3.72Å; F237-W951 AromaticContact CD2-CE2 3.94Å; F237-W951 AromaticContact CD2-CE3 3.52Å; F237-W951 HydrophobicContact CD2-CE3 3.52Å; F237-W951 HydrophobicContact CD2-CG 4.47Å; F237-W951 AromaticContact CD2-CH2 3.73Å; F237-W951 HydrophobicContact CD2-CH2 3.73Å; F237-W951 AromaticContact CD2-CZ2 3.97Å; F237-W951 HydrophobicContact CD2-CZ2 3.97Å; F237-W951 AromaticContact CD2-CZ3 3.51Å; F237-W951 HydrophobicContact CD2-CZ3 3.51Å; F237-W951 HydrophobicContact CE2-CE3 4.11Å; F237-W951 HydrophobicContact CE2-CH2 4.12Å; F237-W951 AromaticContact CE2-CZ3 3.77Å; F237-W951 HydrophobicContact CE2-CZ3 3.77Å; F237-W951 HydrophobicContact CG-CD2 4.09Å; F237-W951 AromaticContact CG-CE2 3.83Å; F237-W951 HydrophobicContact CG-CE3 4.25Å; F237-W951 AromaticContact CG-CH2 3.87Å; F237-W951 HydrophobicContact CG-CH2 3.87Å; F237-W951 AromaticContact CG-CZ2 3.74Å; F237-W951 HydrophobicContact CG-CZ2 3.74Å; F237-W951 HydrophobicContact CG-CZ3 4.14Å
238	T	98.5	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.5	-173.9	-58.9	0	0	0	0	110.6	F200 F202 E220 L221 W223 L236	F200-T238 HydrophobicContact CD1-CG2 4.39Å; F200-T238 CarbonylContact O-C 3.53Å; F200-T238 WeakPolarHBondContact O-CA 3.21Å; F202-T238 HydrophobicContact CD1-CG2 3.99Å; F202-T238 HydrophobicContact CE1-CG2 3.41Å; F202-T238 VanDerWaalsContact CE1-CG2 3.41Å; F202-T238 HydrophobicContact CZ-CG2 4.29Å; E220-T238 WeakPolarHBondContact CA-O 3.2Å; L221-T238 HydrophobicContact CD1-CG2 4.36Å; L221-T238 PolarHBondContact N-O 3.35Å; L221-T238 PolarHBondContact O-N 3.35Å; W223-T238 WeakPolarHBondContact CB-OG1 3.31Å; W223-T238 HydrophobicContact CE3-CG2 4.15Å; L236-T238 PolarHBondContact O-N 3.29Å; L236-T238 PolarHBondContact O-OG1 3.14Å
239	G	98	Very high	93.9	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.9	176.9	0	0	0	0	0	112.2	F200 F201 F202	F200-G239 PolarHBondContact O-N 2.92Å; F201-G239 VanDerWaalsContact CA-O 3.29Å; F201-G239 WeakPolarHBondContact CA-O 3.44Å; F202-G239 PolarHBondContact N-O 3.43Å
240	I	97.9	Very high	94.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.7	174.2	-62.4	154.3	0	0	0	108.1	F202 L205 Q219 L221 Y291	F202-I240 HydrophobicContact CD2-CG1 4.42Å; F202-I240 HydrophobicContact CE1-CG1 4.43Å; F202-I240 HydrophobicContact CE2-CB 4.44Å; F202-I240 HydrophobicContact CE2-CG1 3.6Å; F202-I240 HydrophobicContact CE2-CG2 4.4Å; F202-I240 HydrophobicContact CZ-CD1 4.35Å; F202-I240 HydrophobicContact CZ-CG1 3.6Å; L205-I240 HydrophobicContact CD2-CD1 3.76Å; L205-I240 HydrophobicContact CD2-CG1 4.42Å; L205-I240 HydrophobicContact CD2-CG2 4.27Å; Q219-I240 HydrophobicContact CB-CB 4.36Å; Q219-I240 PolarHBondContact O-N 3.03Å; L221-I240 HydrophobicContact CD2-CD1 4.37Å; I240-Y291 PolarHBondContact O-OH 3.44Å; I240-Y291 VanDerWaalsContact O-OH 3.12Å
241	L	96.4	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.			trans	-67.6	143.8	179.1	-62.2	175.9	0	0	0	110.6	W177 I179 F201 F202 R210 G244 I297 T299	W177-L241 HydrophobicContact CH2-CD1 3.7Å; W177-L241 HydrophobicContact CH2-CD2 4.02Å; W177-L241 HydrophobicContact CH2-CG 4.48Å; W177-L241 HydrophobicContact CZ2-CD1 3.9Å; W177-L241 HydrophobicContact CZ3-CD1 4.36Å; W177-L241 HydrophobicContact CZ3-CD2 4.38Å; I179-L241 HydrophobicContact CG2-CD1 3.48Å; I179-L241 VanDerWaalsContact CG2-CD1 3.48Å; F201-L241 HydrophobicContact CB-CD2 4.48Å; F201-L241 HydrophobicContact CD1-CD2 4.19Å; F202-L241 PolarHBondContact O-N 2.88Å; R210-L241 PolarHBondContact NH1-O 3.31Å; R210-L241 PolarHBondContact NH2-O 2.75Å; L241-G244 WeakPolarHBondContact CB-O 3.28Å; L241-G244 WeakPolarHBondContact CD1-O 3.36Å; L241-I297 HydrophobicContact CD2-CD1 4.19Å; L241-I297 HydrophobicContact CD2-CG2 3.89Å; L241-T299 HydrophobicContact CD1-CG2 4.04Å
242	P	83.7	Confident	94.8	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.071	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-38.4	-166.3	26	-24.2	0	0	0	112.6	R210 Q287 Y291	R210-P242 PolarHBondContact NH1-O 2.7Å; P242-Q287 HydrophobicContact CB-CG 4.17Å; P242-Q287 VanDerWaalsContact CG-CD 3.48Å; P242-Q287 HydrophobicContact CG-CG 4.01Å; P242-Y291 HydrophobicContact CB-CE2 4.26Å; P242-Y291 WeakPolarHBondContact CD-OH 3.49Å; P242-Y291 HydrophobicContact CG-CE2 4.26Å; P242-Y291 WeakPolarHBondContact CG-OH 3.47Å
243	N	86.4	Confident	95.1	Very high	71 Å²	71	24.1 Å²	24.1	38%	0.38	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	36.2	-172.6	-60	-22.9	0	0	0	112.3	Y245 N246	N243-Y245 PolarHBondContact O-N 2.86Å; N243-N246 PolarHBondContact O-N 3.38Å
244	G	90.3	Very high	95.4	Very high	19 Å²	19	22.2 Å²	22.2	20%	0.196	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	-97.4	-166.9	0	0	0	0	0	109	G203 L241	G203-G244 WeakPolarHBondContact CA-O 3.27Å; L241-G244 WeakPolarHBondContact CB-O 3.28Å; L241-G244 WeakPolarHBondContact CD1-O 3.36Å
245	Y	95.6	Very high	95.3	Very high	20 Å²	20	26 Å²	26	8%	0.078	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	13.1	175.7	57.5	-94.1	0	0	0	113.6	H54 I179 D180 N243 T299 D303	H54-Y245 PolarHBondContact CE1-O 2.66Å; H54-Y245 PolarHBondContact NE2-O 3.29Å; H54-Y245 VanDerWaalsContact NE2-O 3.1Å; I179-Y245 HydrophobicContact CB-CD1 4.14Å; I179-Y245 HydrophobicContact CB-CG 4.07Å; I179-Y245 HydrophobicContact CD1-CD1 4.49Å; I179-Y245 HydrophobicContact CD1-CD2 4.04Å; I179-Y245 HydrophobicContact CD1-CG 3.82Å; I179-Y245 HydrophobicContact CG1-CG 4.36Å; D180-Y245 WeakPolarHBondContact OD1-CE1 3.37Å; D180-Y245 PolarHBondContact OD1-OH 3.13Å; N243-Y245 PolarHBondContact O-N 2.86Å; Y245-T299 WeakPolarHBondContact O-CB 3.08Å; Y245-T299 PolarHBondContact O-OG1 2.78Å; Y245-D303 WeakPolarHBondContact CE2-OD1 3.25Å; Y245-D303 PolarHBondContact OH-OD1 3.2Å
246	N	97.2	Very high	95	Very high	65 Å²	65	30.3 Å²	30.3	35%	0.348	16%	0.162	S	C	.	.	S	Bend	trans	-86.4	161.2	179.4	-72.1	-65.6	0	0	0	111.7	N243 T299 S302	N243-N246 PolarHBondContact O-N 3.38Å; N246-T299 CarbonylContact C-O 3.51Å; N246-T299 PolarHBondContact O-OG1 2.76Å; N246-S302 WeakPolarHBondContact OD1-CB 3.28Å; N246-S302 PolarHBondContact OD1-OG 2.99Å
247	P	97	Very high	94.9	Very high	15 Å²	15	32.3 Å²	32.3	10%	0.097	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-57.1	155.4	164.1	29.7	-38.8	0	0	0	111.6	C252 T299 M300 G301 W312	P247-C252 HydrophobicContact CG-CB 3.89Å; P247-T299 WeakPolarHBondContact CA-O 3.33Å; P247-M300 HydrophobicContact CB-SD 4.47Å; P247-G301 WeakPolarHBondContact CD-O 3.1Å; P247-W312 HydrophobicContact CB-CH2 4.11Å; P247-W312 HydrophobicContact CG-CH2 4.04Å
248	P	96.6	Very high	94.7	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.039	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-51.6	144	164.5	-21.4	32.3	0	0	0	110.7	G250 F251 A283 M298	P248-G250 PolarHBondContact O-N 3.42Å; P248-F251 HydrophobicContact CB-CD2 3.98Å; P248-F251 WeakPolarHBondContact O-CB 3.32Å; P248-F251 PolarHBondContact O-N 3.04Å; P248-F251 VanDerWaalsContact O-N 3.16Å; P248-A283 HydrophobicContact CB-CB 4.45Å; P248-M298 HydrophobicContact CG-CB 4.38Å; P248-M298 HydrophobicContact CG-CE 4.18Å; P248-M298 HydrophobicContact CG-CG 4.08Å; P248-M298 HydrophobicContact CG-SD 3.71Å
249	E	94.9	Very high	94.6	Very high	195 Å²	195	41.2 Å²	41.2	91%	0.911	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	131	179.6	-172.9	-179.4	177.3	0	0	111.3	F251	E249-F251 VanDerWaalsContact O-CD2 3.27Å; E249-F251 WeakPolarHBondContact O-CD2 3.33Å
250	G	95.6	Very high	94.5	Very high	16 Å²	16	45.2 Å²	45.2	17%	0.165	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	13.8	-178.6	0	0	0	0	0	115.4	P248 D259 R279	P248-G250 PolarHBondContact O-N 3.42Å; G250-D259 WeakPolarHBondContact CA-OD2 3.37Å; G250-R279 PolarHBondContact O-NH1 3.11Å; G250-R279 VanDerWaalsContact O-NH1 3.11Å
251	F	97.3	Very high	94.4	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	27%	0.269	C	S	.	.			trans	-132.3	30.2	179.9	-60.7	-85	0	0	0	113.3	P248 E249 W253 D259 V276 R279 F280 M300 W312 L319	P248-F251 HydrophobicContact CB-CD2 3.98Å; P248-F251 WeakPolarHBondContact O-CB 3.32Å; P248-F251 PolarHBondContact O-N 3.04Å; P248-F251 VanDerWaalsContact O-N 3.16Å; E249-F251 VanDerWaalsContact O-CD2 3.27Å; E249-F251 WeakPolarHBondContact O-CD2 3.33Å; F251-W253 HydrophobicContact CB-CH2 4.35Å; F251-W253 HydrophobicContact CB-CZ3 4.49Å; F251-W253 AromaticContact CD1-CH2 3.68Å; F251-W253 HydrophobicContact CD1-CH2 3.68Å; F251-W253 AromaticContact CD1-CZ2 3.96Å; F251-W253 HydrophobicContact CD1-CZ2 3.96Å; F251-D259 PolarHBondContact N-OD2 3.27Å; F251-D259 VanDerWaalsContact N-OD2 3.1Å; F251-V276 HydrophobicContact CE1-CG1 4.02Å; F251-R279 HydrophobicContact CE2-CB 4.46Å; F251-R279 HydrophobicContact CZ-CB 3.95Å; F251-F280 HydrophobicContact CD1-CD2 4.05Å; F251-F280 HydrophobicContact CE1-CB 3.69Å; F251-F280 AromaticContact CE1-CD2 3.77Å; F251-F280 HydrophobicContact CE1-CD2 3.77Å; F251-F280 HydrophobicContact CE1-CG 4.21Å; F251-F280 HydrophobicContact CE2-CD2 4.49Å; F251-F280 VanDerWaalsContact CZ-CA 3.46Å; F251-F280 HydrophobicContact CZ-CB 3.61Å; F251-F280 HydrophobicContact CZ-CD2 4.03Å; F251-F280 HydrophobicContact CZ-CG 4.33Å; F251-M300 HydrophobicContact CB-CE 4.24Å; F251-W312 WeakPolarHBondContact O-CZ3 3.43Å; F251-L319 HydrophobicContact CD1-CD1 4.46Å; F251-L319 HydrophobicContact CE1-CD1 4.16Å
252	C	97	Very high	94.4	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.074	27%	0.27	C	S	.	.			trans	-95.7	111.2	171.5	-172.7	0	0	0	0	112.2	P247 C257 D259 Q305 W312	P247-C252 HydrophobicContact CG-CB 3.89Å; C252-C257 HydrophobicContact CB-CB 3.61Å; C252-C257 WeakPolarHBondContact CB-SG 3.47Å; C252-C257 WeakPolarHBondContact O-CB 3.34Å; C252-C257 WeakPolarHBondContact SG-CB 3.48Å; C252-C257 CovalentContact SG-SG 2.02Å; C252-C257 PolarHBondContact SG-SG 3.36Å; C252-D259 WeakPolarHBondContact CB-OD2 3.26Å; C252-D259 PolarHBondContact N-OD2 3.21Å; C252-D259 WeakPolarHBondContact O-CB 3.47Å; C252-Q305 PolarHBondContact SG-NE2 3.48Å; C252-W312 HydrophobicContact CB-CH2 4.42Å
253	W	97.4	Very high	95.1	Very high	11 Å²	11	50.8 Å²	50.8	4%	0.042	28%	0.277	C	S	.	.			trans	-112.5	36.9	179.8	-60.5	-62.8	0	0	0	113.4	F251 D260 I262 M300 L311 W312 N315 L316 L319	F251-W253 HydrophobicContact CB-CH2 4.35Å; F251-W253 HydrophobicContact CB-CZ3 4.49Å; F251-W253 AromaticContact CD1-CH2 3.68Å; F251-W253 HydrophobicContact CD1-CH2 3.68Å; F251-W253 AromaticContact CD1-CZ2 3.96Å; F251-W253 HydrophobicContact CD1-CZ2 3.96Å; W253-D260 PolarHBondContact NE1-O 3.03Å; W253-I262 HydrophobicContact CH2-CD1 4.22Å; W253-I262 HydrophobicContact CZ2-CD1 4.09Å; W253-I262 HydrophobicContact CZ2-CG1 4.05Å; W253-M300 HydrophobicContact CZ3-CE 4.15Å; W253-L311 CarbonylContact O-C 3.57Å; W253-L311 WeakPolarHBondContact O-CB 3.07Å; W253-W312 HydrophobicContact CE3-CE3 4.25Å; W253-W312 HydrophobicContact CE3-CZ3 4.24Å; W253-W312 PolarHBondContact O-N 3.14Å; W253-N315 HydrophobicContact CB-CB 4.14Å; W253-N315 HydrophobicContact CD2-CB 3.27Å; W253-N315 HydrophobicContact CE3-CB 3.48Å; W253-N315 VanDerWaalsContact CE3-CB 3.48Å; W253-N315 HydrophobicContact CG-CB 3.59Å; W253-N315 HydrophobicContact CH2-CB 4.2Å; W253-N315 HydrophobicContact CZ2-CB 4.08Å; W253-N315 HydrophobicContact CZ3-CB 3.94Å; W253-L316 HydrophobicContact CE3-CD2 4.46Å; W253-L316 HydrophobicContact CZ3-CD2 3.99Å; W253-L316 HydrophobicContact CZ3-CG 4.38Å; W253-L319 HydrophobicContact CH2-CB 4.28Å; W253-L319 HydrophobicContact CH2-CD1 4.39Å; W253-L319 HydrophobicContact CH2-CD2 3.96Å; W253-L319 HydrophobicContact CH2-CG 4.44Å; W253-L319 HydrophobicContact CZ3-CD2 4.18Å
254	D	96.6	Very high	95.6	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.272	C	S	.	.	S	Bend	trans	-83	161.9	170.3	-157.8	-96.2	0	0	0	111.9	L256 C257 Q305 Y306 W312	D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 PolarHBondContact OD1-N 2.52Å; D254-C257 HydrophobicContact CB-CB 4.41Å; D254-C257 PolarHBondContact O-N 3.05Å; D254-Q305 HydrophobicContact CB-CB 4.29Å; D254-Q305 HydrophobicContact CB-CG 3.89Å; D254-Q305 WeakPolarHBondContact OD2-CA 3.49Å; D254-Q305 WeakPolarHBondContact OD2-CB 3.48Å; D254-Y306 PolarHBondContact OD2-N 3.38Å; D254-W312 HydrophobicContact CB-CZ2 4.18Å; D254-W312 VanDerWaalsContact CB-NE1 3.34Å; D254-W312 PolarHBondContact OD2-NE1 3.49Å
255	Q	93.3	Very high	95.8	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.369	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	176.8	62.8	179.9	1.7	0	0	113.3	H78 L311	H78-Q255 PolarHBondContact CD2-NE2 3.07Å; H78-Q255 PolarHBondContact NE2-NE2 3.28Å; Q255-L311 HydrophobicContact CB-CD1 3.78Å
256	L	90	Very high	95.7	Very high	104 Å²	104	56.8 Å²	56.8	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.3	176.3	-58.3	-177.8	0	0	0	113.4	H78 D254	H78-L256 HydrophobicContact CB-CD1 4.31Å; H78-L256 HydrophobicContact CB-CD2 4.28Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 PolarHBondContact OD1-N 2.52Å
257	C	94.5	Very high	95.6	Very high	43 Å²	43	60.6 Å²	60.6	29%	0.291	33%	0.33	S	S	.	.			trans	-96.2	160.7	-179.7	-75.1	0	0	0	0	112.2	C252 D254	C252-C257 HydrophobicContact CB-CB 3.61Å; C252-C257 WeakPolarHBondContact CB-SG 3.47Å; C252-C257 WeakPolarHBondContact O-CB 3.34Å; C252-C257 WeakPolarHBondContact SG-CB 3.48Å; C252-C257 CovalentContact SG-SG 2.02Å; C252-C257 PolarHBondContact SG-SG 3.36Å; D254-C257 HydrophobicContact CB-CB 4.41Å; D254-C257 PolarHBondContact O-N 3.05Å
258	T	94.8	Very high	95.3	Very high	134 Å²	134	63.5 Å²	63.5	82%	0.822	35%	0.345	S	S	*	.			trans	-115.3	3.9	-175.2	56.9	0	0	0	0	113.5
259	D	96.1	Very high	94.9	Very high	53 Å²	53	73.2 Å²	73.2	28%	0.283	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-70.6	137.1	179.1	-63.9	-35.2	0	0	0	110.5	G250 F251 C252	G250-D259 WeakPolarHBondContact CA-OD2 3.37Å; F251-D259 PolarHBondContact N-OD2 3.27Å; F251-D259 VanDerWaalsContact N-OD2 3.1Å; C252-D259 WeakPolarHBondContact CB-OD2 3.26Å; C252-D259 PolarHBondContact N-OD2 3.21Å; C252-D259 WeakPolarHBondContact O-CB 3.47Å
260	D	94.9	Very high	94.8	Very high	86 Å²	86	67.3 Å²	67.3	46%	0.46	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-58.3	136	-179.5	-81.7	-9.9	0	0	0	111	W253 R263	W253-D260 PolarHBondContact NE1-O 3.03Å; D260-R263 IonicContact OD2-CZ 3.7Å; D260-R263 IonicContact OD2-NH1 3.7Å; D260-R263 IonicContact OD2-NH2 2.88Å; D260-R263 PolarHBondContact OD2-NH2 3.39Å
261	P	96.2	Very high	94.9	Very high	65 Å²	65	70.2 Å²	70.2	42%	0.422	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-65.9	160.2	169	30.7	-35.2	0	0	0	110.4	R263 N272 N315	P261-R263 PolarHBondContact O-N 3.44Å; P261-N272 PolarHBondContact O-ND2 2.65Å; P261-N315 WeakPolarHBondContact CA-OD1 3.27Å
262	I	97.7	Very high	94.9	Very high	6 Å²	6	70.8 Å²	70.8	3%	0.031	37%	0.374	C	S	.	.			trans	-74.2	111.5	174	-55	-176.5	0	0	0	109	W253 V273 V276 N315 K318 L319 Y322	W253-I262 HydrophobicContact CH2-CD1 4.22Å; W253-I262 HydrophobicContact CZ2-CD1 4.09Å; W253-I262 HydrophobicContact CZ2-CG1 4.05Å; I262-V273 HydrophobicContact CG2-CG2 3.87Å; I262-V276 HydrophobicContact CD1-CG1 3.9Å; I262-V276 HydrophobicContact CG1-CG1 4.05Å; I262-V276 HydrophobicContact CG1-CG2 4.46Å; I262-N315 WeakPolarHBondContact CD1-O 3.17Å; I262-N315 PolarHBondContact N-OD1 3.29Å; I262-K318 HydrophobicContact CB-CB 4.21Å; I262-K318 HydrophobicContact CB-CD 3.87Å; I262-K318 HydrophobicContact CD1-CB 3.96Å; I262-K318 HydrophobicContact CG2-CB 4.08Å; I262-K318 HydrophobicContact CG2-CD 3.94Å; I262-K318 PolarHBondContact O-NZ 3Å; I262-L319 HydrophobicContact CD1-CB 3.9Å; I262-L319 HydrophobicContact CD1-CD1 4.42Å; I262-Y322 HydrophobicContact CG2-CD2 4.44Å
263	R	97.2	Very high	94.9	Very high	58 Å²	58	70.4 Å²	70.4	22%	0.219	37%	0.372	C	S	.	.			trans	-99.5	102	177.3	-64.9	176.2	-69.6	-138.7	-13	108.4	D260 P261 L268 D270 Y271 N272	D260-R263 IonicContact OD2-CZ 3.7Å; D260-R263 IonicContact OD2-NH1 3.7Å; D260-R263 IonicContact OD2-NH2 2.88Å; D260-R263 PolarHBondContact OD2-NH2 3.39Å; P261-R263 PolarHBondContact O-N 3.44Å; R263-L268 HydrophobicContact CB-CD1 4.39Å; R263-D270 WeakPolarHBondContact CD-OD2 3.41Å; R263-D270 VanDerWaalsContact CZ-O 3.25Å; R263-D270 IonicContact CZ-OD2 3.49Å; R263-D270 VanDerWaalsContact CZ-OD2 3.27Å; R263-D270 PolarHBondContact NE-O 3.44Å; R263-D270 IonicContact NE-OD2 3.26Å; R263-D270 PolarHBondContact NE-OD2 3.19Å; R263-D270 IonicContact NH1-OD2 2.75Å; R263-D270 PolarHBondContact NH1-OD2 3.03Å; R263-D270 PolarHBondContact NH2-O 3.31Å; R263-Y271 VanDerWaalsContact O-CD2 3.31Å; R263-Y271 WeakPolarHBondContact O-CD2 3.33Å; R263-N272 PolarHBondContact N-OD1 3.48Å; R263-N272 PolarHBondContact NH2-ND2 2.88Å; R263-N272 PolarHBondContact O-N 2.78Å; R263-N272 PolarHBondContact O-OD1 3.43Å
264	D	96.3	Very high	94.9	Very high	51 Å²	51	74.4 Å²	74.4	27%	0.273	39%	0.393	S	S	.	.			trans	-111.2	6.2	-170	60	-17	0	0	0	114.1	T266 V273 K318 Y322	D264-T266 PolarHBondContact O-N 2.76Å; D264-V273 HydrophobicContact CB-CG2 3.64Å; D264-K318 IonicContact OD1-NZ 3.54Å; D264-K318 PolarHBondContact OD1-NZ 3.47Å; D264-K318 WeakPolarHBondContact OD2-CD 3.4Å; D264-K318 WeakPolarHBondContact OD2-CE 3.41Å; D264-K318 IonicContact OD2-NZ 3.9Å; D264-K318 PolarHBondContact OD2-NZ 3.46Å; D264-K318 VanDerWaalsContact OD2-NZ 3.13Å; D264-Y322 HydrophobicContact CB-CE2 3.68Å; D264-Y322 VanDerWaalsContact CB-OH 3.28Å; D264-Y322 WeakPolarHBondContact CB-OH 3.24Å; D264-Y322 PolarHBondContact OD2-OH 3.02Å
265	D	95.6	Very high	94.9	Very high	77 Å²	77	78.2 Å²	78.2	41%	0.412	41%	0.414	S	S	.	.			trans	-80.3	113.9	167.9	-178.6	-7.3	0	0	0	108.5	D267 L268	D265-D267 PolarHBondContact O-N 2.96Å; D265-D267 PolarHBondContact OD1-N 3.07Å; D265-L268 HydrophobicContact CB-CD1 3.75Å; D265-L268 HydrophobicContact CB-CG 3.79Å; D265-L268 WeakPolarHBondContact O-CB 3.45Å; D265-L268 PolarHBondContact O-N 3.12Å
266	T	93.4	Very high	95.1	Very high	107 Å²	107	74.6 Å²	74.6	66%	0.656	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.2	-175.1	51.6	0	0	0	0	113.4	D264 Y271	D264-T266 PolarHBondContact O-N 2.76Å; T266-Y271 HydrophobicContact CG2-CD2 4.4Å; T266-Y271 HydrophobicContact CG2-CE2 4.01Å
267	D	94.6	Very high	95.5	Very high	145 Å²	145	69.7 Å²	69.7	78%	0.775	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.1	178.8	-63	-21.3	0	0	0	112.4	D265	D265-D267 PolarHBondContact O-N 2.96Å; D265-D267 PolarHBondContact OD1-N 3.07Å
268	L	90.8	Very high	95.7	Very high	76 Å²	76	73.2 Å²	73.2	40%	0.398	38%	0.384	S	S	.	.	S	Bend	trans	-79.1	136	176.7	-66.2	178.2	0	0	0	111.9	R263 D265 D270 Y271	R263-L268 HydrophobicContact CB-CD1 4.39Å; D265-L268 HydrophobicContact CB-CD1 3.75Å; D265-L268 HydrophobicContact CB-CG 3.79Å; D265-L268 WeakPolarHBondContact O-CB 3.45Å; D265-L268 PolarHBondContact O-N 3.12Å; L268-D270 WeakPolarHBondContact CB-OD1 3.22Å; L268-D270 PolarHBondContact O-N 3.43Å; L268-Y271 PolarHBondContact O-N 2.9Å
269	E	89.4	Confident	95.9	Very high	210 Å²	210	71 Å²	71	98%	0.981	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.9	174.3	-66.2	-173.9	170.3	0	0	112.7
270	D	92.2	Very high	96	Very high	72 Å²	72	68.5 Å²	68.5	39%	0.385	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	21.3	-177.4	65.3	-19.3	0	0	0	113.8	R263 L268 N272	R263-D270 WeakPolarHBondContact CD-OD2 3.41Å; R263-D270 VanDerWaalsContact CZ-O 3.25Å; R263-D270 IonicContact CZ-OD2 3.49Å; R263-D270 VanDerWaalsContact CZ-OD2 3.27Å; R263-D270 PolarHBondContact NE-O 3.44Å; R263-D270 IonicContact NE-OD2 3.26Å; R263-D270 PolarHBondContact NE-OD2 3.19Å; R263-D270 IonicContact NH1-OD2 2.75Å; R263-D270 PolarHBondContact NH1-OD2 3.03Å; R263-D270 PolarHBondContact NH2-O 3.31Å; L268-D270 WeakPolarHBondContact CB-OD1 3.22Å; L268-D270 PolarHBondContact O-N 3.43Å; D270-N272 PolarHBondContact O-N 3.15Å
271	Y	97.1	Very high	96.2	Very high	77 Å²	77	64.8 Å²	64.8	30%	0.302	33%	0.327	S	S	.	.			trans	-47.2	128.4	169.2	175.1	-89.4	0	0	0	111.4	R263 T266 L268 V273	R263-Y271 VanDerWaalsContact O-CD2 3.31Å; R263-Y271 WeakPolarHBondContact O-CD2 3.33Å; T266-Y271 HydrophobicContact CG2-CD2 4.4Å; T266-Y271 HydrophobicContact CG2-CE2 4.01Å; L268-Y271 PolarHBondContact O-N 2.9Å; Y271-V273 HydrophobicContact CD2-CG2 4.31Å; Y271-V273 HydrophobicContact CE1-CB 4.01Å; Y271-V273 HydrophobicContact CE1-CG2 4.49Å; Y271-V273 HydrophobicContact CE2-CB 3.97Å; Y271-V273 HydrophobicContact CE2-CG2 3.6Å; Y271-V273 WeakPolarHBondContact OH-CB 3.45Å
272	N	97.6	Very high	96.2	Very high	14 Å²	14	67.8 Å²	67.8	8%	0.075	34%	0.335	C	S	.	.			trans	-133.5	8	-171.1	71.4	-6.5	0	0	0	115.4	P261 R263 D270 D274 D275 V276	P261-N272 PolarHBondContact O-ND2 2.65Å; R263-N272 PolarHBondContact N-OD1 3.48Å; R263-N272 PolarHBondContact NH2-ND2 2.88Å; R263-N272 PolarHBondContact O-N 2.78Å; R263-N272 PolarHBondContact O-OD1 3.43Å; D270-N272 PolarHBondContact O-N 3.15Å; N272-D274 VanDerWaalsContact C-N 3.34Å; N272-D274 PolarHBondContact O-N 3.43Å; N272-D275 PolarHBondContact O-N 2.84Å; N272-V276 HydrophobicContact CB-CG2 4.47Å; N272-V276 VanDerWaalsContact O-CG2 3.29Å; N272-V276 WeakPolarHBondContact O-CG2 3.33Å; N272-V276 PolarHBondContact O-N 2.95Å
273	V	98.1	Very high	96.3	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.024	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-45.7	-175.6	175.2	0	0	0	0	112	I262 D264 Y271 D275 V276 V277 Y322	I262-V273 HydrophobicContact CG2-CG2 3.87Å; D264-V273 HydrophobicContact CB-CG2 3.64Å; Y271-V273 HydrophobicContact CD2-CG2 4.31Å; Y271-V273 HydrophobicContact CE1-CB 4.01Å; Y271-V273 HydrophobicContact CE1-CG2 4.49Å; Y271-V273 HydrophobicContact CE2-CB 3.97Å; Y271-V273 HydrophobicContact CE2-CG2 3.6Å; Y271-V273 WeakPolarHBondContact OH-CB 3.45Å; V273-D275 PolarHBondContact O-N 2.97Å; V273-V276 PolarHBondContact O-N 3.43Å; V273-V277 HydrophobicContact CG1-CG2 4.07Å; V273-V277 WeakPolarHBondContact O-CB 3.41Å; V273-V277 VanDerWaalsContact O-CG2 3.24Å; V273-V277 WeakPolarHBondContact O-CG2 3.48Å; V273-V277 PolarHBondContact O-N 3.37Å; V273-Y322 HydrophobicContact CG1-CD1 3.69Å; V273-Y322 HydrophobicContact CG1-CD2 3.78Å; V273-Y322 HydrophobicContact CG1-CE1 4.26Å; V273-Y322 HydrophobicContact CG1-CE2 4.38Å; V273-Y322 HydrophobicContact CG1-CG 3.43Å; V273-Y322 VanDerWaalsContact CG1-CG 3.43Å; V273-Y322 HydrophobicContact CG2-CD2 4.23Å; V273-Y322 HydrophobicContact CG2-CE2 4.15Å
274	D	96.3	Very high	96.3	Very high	94 Å²	94	65.9 Å²	65.9	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-42.6	-176.5	-65.2	-31.9	0	0	0	111.7	N272 Q278	N272-D274 VanDerWaalsContact C-N 3.34Å; N272-D274 PolarHBondContact O-N 3.43Å; D274-Q278 VanDerWaalsContact O-CG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.23Å; D274-Q278 PolarHBondContact O-N 3.15Å
275	D	97.1	Very high	96.4	Very high	88 Å²	88	69.2 Å²	69.2	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-51.5	174.7	172.1	75.5	0	0	0	111.5	N272 V273 V277 Q278 R279	N272-D275 PolarHBondContact O-N 2.84Å; V273-D275 PolarHBondContact O-N 2.97Å; D275-V277 VanDerWaalsContact C-N 3.29Å; D275-V277 PolarHBondContact O-N 2.99Å; D275-Q278 PolarHBondContact O-N 3.26Å; D275-Q278 VanDerWaalsContact O-N 3.16Å; D275-R279 PolarHBondContact O-N 3.26Å; D275-R279 IonicContact OD1-NE 3.53Å; D275-R279 IonicContact OD2-CZ 3.59Å; D275-R279 IonicContact OD2-NE 2.77Å; D275-R279 PolarHBondContact OD2-NE 3.19Å; D275-R279 IonicContact OD2-NH2 2.7Å; D275-R279 PolarHBondContact OD2-NH2 2.87Å
276	V	98	Very high	96.4	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-45.1	-179.6	172.7	0	0	0	0	110.6	F251 I262 N272 V273 R279 F280 L319	F251-V276 HydrophobicContact CE1-CG1 4.02Å; I262-V276 HydrophobicContact CD1-CG1 3.9Å; I262-V276 HydrophobicContact CG1-CG1 4.05Å; I262-V276 HydrophobicContact CG1-CG2 4.46Å; N272-V276 HydrophobicContact CB-CG2 4.47Å; N272-V276 VanDerWaalsContact O-CG2 3.29Å; N272-V276 WeakPolarHBondContact O-CG2 3.33Å; N272-V276 PolarHBondContact O-N 2.95Å; V273-V276 PolarHBondContact O-N 3.43Å; V276-R279 PolarHBondContact O-N 3.42Å; V276-F280 WeakPolarHBondContact O-CB 3.41Å; V276-F280 PolarHBondContact O-N 3.3Å; V276-L319 HydrophobicContact CG1-CD1 4.05Å
277	V	98.4	Very high	96.6	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-45.1	178.4	168.5	0	0	0	0	111.1	V273 D275 F280 L281 V323 Q326	V273-V277 HydrophobicContact CG1-CG2 4.07Å; V273-V277 WeakPolarHBondContact O-CB 3.41Å; V273-V277 VanDerWaalsContact O-CG2 3.24Å; V273-V277 WeakPolarHBondContact O-CG2 3.48Å; V273-V277 PolarHBondContact O-N 3.37Å; D275-V277 VanDerWaalsContact C-N 3.29Å; D275-V277 PolarHBondContact O-N 2.99Å; V277-F280 PolarHBondContact O-N 2.92Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.34Å; V277-L281 WeakPolarHBondContact O-CB 3.46Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.07Å; V277-L281 PolarHBondContact O-N 2.88Å; V277-V323 HydrophobicContact CG1-CG2 4.36Å; V277-V323 HydrophobicContact CG2-CG2 4.11Å; V277-Q326 HydrophobicContact CG1-CG 3.62Å
278	Q	98.1	Very high	96.8	Very high	117 Å²	117	58.5 Å²	58.5	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-44.2	177.8	-70.4	-56.8	-34.7	0	0	112.1	D274 D275 F280 L281 H282	D274-Q278 VanDerWaalsContact O-CG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.23Å; D274-Q278 PolarHBondContact O-N 3.15Å; D275-Q278 PolarHBondContact O-N 3.26Å; D275-Q278 VanDerWaalsContact O-N 3.16Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.48Å; Q278-L281 PolarHBondContact O-N 2.89Å; Q278-H282 WeakPolarHBondContact O-CB 3.46Å; Q278-H282 PolarHBondContact O-N 3.4Å
279	R	98.1	Very high	97	Very high	87 Å²	87	60.5 Å²	60.5	33%	0.328	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-42.2	175	-73.5	-167.5	-67.7	114.2	-3.9	111.6	G250 F251 D275 V276 H282 A283	G250-R279 PolarHBondContact O-NH1 3.11Å; G250-R279 VanDerWaalsContact O-NH1 3.11Å; F251-R279 HydrophobicContact CE2-CB 4.46Å; F251-R279 HydrophobicContact CZ-CB 3.95Å; D275-R279 PolarHBondContact O-N 3.26Å; D275-R279 IonicContact OD1-NE 3.53Å; D275-R279 IonicContact OD2-CZ 3.59Å; D275-R279 IonicContact OD2-NE 2.77Å; D275-R279 PolarHBondContact OD2-NE 3.19Å; D275-R279 IonicContact OD2-NH2 2.7Å; D275-R279 PolarHBondContact OD2-NH2 2.87Å; V276-R279 PolarHBondContact O-N 3.42Å; R279-H282 WeakPolarHBondContact O-CB 3.32Å; R279-H282 PolarHBondContact O-N 2.92Å; R279-A283 PolarHBondContact O-N 2.76Å
280	F	98.6	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-45.2	-179.7	-174.9	-92.9	0	0	0	111.6	V49 L51 F251 V276 V277 Q278 H282 A283 A284 M298 L319 V323 V335	V49-F280 HydrophobicContact CG1-CE1 4.41Å; V49-F280 HydrophobicContact CG1-CZ 3.86Å; L51-F280 HydrophobicContact CD2-CE2 4.25Å; L51-F280 HydrophobicContact CD2-CZ 4.04Å; F251-F280 HydrophobicContact CD1-CD2 4.05Å; F251-F280 HydrophobicContact CE1-CB 3.69Å; F251-F280 AromaticContact CE1-CD2 3.77Å; F251-F280 HydrophobicContact CE1-CD2 3.77Å; F251-F280 HydrophobicContact CE1-CG 4.21Å; F251-F280 HydrophobicContact CE2-CD2 4.49Å; F251-F280 VanDerWaalsContact CZ-CA 3.46Å; F251-F280 HydrophobicContact CZ-CB 3.61Å; F251-F280 HydrophobicContact CZ-CD2 4.03Å; F251-F280 HydrophobicContact CZ-CG 4.33Å; V276-F280 WeakPolarHBondContact O-CB 3.41Å; V276-F280 PolarHBondContact O-N 3.3Å; V277-F280 PolarHBondContact O-N 2.92Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.48Å; F280-H282 PolarHBondContact O-N 2.88Å; F280-A283 PolarHBondContact O-N 3.43Å; F280-A284 HydrophobicContact CE1-CB 4.4Å; F280-A284 WeakPolarHBondContact O-CB 3.45Å; F280-A284 PolarHBondContact O-N 3.23Å; F280-M298 HydrophobicContact CE2-SD 3.78Å; F280-M298 HydrophobicContact CZ-SD 3.88Å; F280-L319 HydrophobicContact CB-CD1 3.98Å; F280-L319 HydrophobicContact CD1-CD1 4.47Å; F280-L319 HydrophobicContact CD2-CD1 3.87Å; F280-L319 HydrophobicContact CD2-CD2 3.77Å; F280-L319 HydrophobicContact CD2-CG 4.25Å; F280-L319 HydrophobicContact CE2-CD2 3.65Å; F280-L319 HydrophobicContact CE2-CG 4.42Å; F280-L319 HydrophobicContact CG-CD1 3.83Å; F280-L319 HydrophobicContact CG-CD2 4.44Å; F280-L319 HydrophobicContact CG-CG 4.45Å; F280-L319 HydrophobicContact CZ-CD2 4.24Å; F280-V323 HydrophobicContact CB-CG2 4.3Å; F280-V323 HydrophobicContact CD1-CB 4.41Å; F280-V323 HydrophobicContact CD1-CG1 3.97Å; F280-V323 HydrophobicContact CD1-CG2 3.67Å; F280-V323 HydrophobicContact CE1-CG1 4.24Å; F280-V323 HydrophobicContact CE1-CG2 4.36Å; F280-V323 HydrophobicContact CG-CG2 4.18Å; F280-V335 HydrophobicContact CD1-CG2 4.42Å; F280-V335 HydrophobicContact CE1-CG1 4.22Å; F280-V335 HydrophobicContact CE1-CG2 3.54Å; F280-V335 HydrophobicContact CZ-CG1 4.06Å; F280-V335 HydrophobicContact CZ-CG2 4.2Å
281	L	98.5	Very high	97.5	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-36.8	175.5	-72	174.4	0	0	0	111.5	V277 Q278 K285 V323 S331 V333	V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.34Å; V277-L281 WeakPolarHBondContact O-CB 3.46Å; V277-L281 VanDerWaalsContact O-CG 3.26Å; V277-L281 WeakPolarHBondContact O-CG 3.07Å; V277-L281 PolarHBondContact O-N 2.88Å; Q278-L281 PolarHBondContact O-N 2.89Å; L281-K285 WeakPolarHBondContact O-CB 3.39Å; L281-K285 VanDerWaalsContact O-CG 3.23Å; L281-K285 WeakPolarHBondContact O-CG 3.1Å; L281-K285 PolarHBondContact O-N 2.79Å; L281-V323 HydrophobicContact CD2-CG1 3.79Å; L281-V323 HydrophobicContact CG-CG1 4.4Å; L281-S331 WeakPolarHBondContact CD2-OG 3.12Å; L281-V333 HydrophobicContact CD2-CB 3.67Å; L281-V333 HydrophobicContact CD2-CG1 4.07Å; L281-V333 HydrophobicContact CD2-CG2 3.6Å
282	H	98	Very high	97.4	Very high	127 Å²	127	47.7 Å²	47.7	59%	0.588	24%	0.24	S	C	*	.	H	α-helix	trans	-64.7	-51.3	173.1	-178.1	72.9	0	0	0	111.6	Q278 R279 F280 A284 K285 T286	Q278-H282 WeakPolarHBondContact O-CB 3.46Å; Q278-H282 PolarHBondContact O-N 3.4Å; R279-H282 WeakPolarHBondContact O-CB 3.32Å; R279-H282 PolarHBondContact O-N 2.92Å; F280-H282 PolarHBondContact O-N 2.88Å; H282-A284 VanDerWaalsContact C-N 3.34Å; H282-A284 PolarHBondContact O-N 3.17Å; H282-K285 PolarHBondContact O-N 3.47Å; H282-T286 WeakPolarHBondContact O-CB 3.38Å; H282-T286 PolarHBondContact O-N 3.4Å; H282-T286 PolarHBondContact O-OG1 3.11Å; H282-T286 VanDerWaalsContact O-OG1 3.06Å
283	A	97.9	Very high	97.4	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-45.5	178	0	0	0	0	0	112.1	P248 R279 F280 T286 Q287	P248-A283 HydrophobicContact CB-CB 4.45Å; R279-A283 PolarHBondContact O-N 2.76Å; F280-A283 PolarHBondContact O-N 3.43Å; A283-T286 PolarHBondContact O-N 2.76Å; A283-Q287 WeakPolarHBondContact O-CB 3.49Å; A283-Q287 PolarHBondContact O-N 2.82Å
284	A	98.4	Very high	97.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-46.6	177.7	0	0	0	0	0	112.5	L47 V49 F280 H282 Q287 A288 I296 M298	L47-A284 HydrophobicContact CD2-CB 4.27Å; V49-A284 HydrophobicContact CG2-CB 3.93Å; F280-A284 HydrophobicContact CE1-CB 4.4Å; F280-A284 WeakPolarHBondContact O-CB 3.45Å; F280-A284 PolarHBondContact O-N 3.23Å; H282-A284 VanDerWaalsContact C-N 3.34Å; H282-A284 PolarHBondContact O-N 3.17Å; A284-Q287 PolarHBondContact O-N 2.74Å; A284-A288 WeakPolarHBondContact O-CB 3.41Å; A284-A288 PolarHBondContact O-N 2.72Å; A284-I296 HydrophobicContact CB-CD1 4.19Å; A284-I296 WeakPolarHBondContact O-CD1 3.22Å; A284-M298 HydrophobicContact CB-CE 4Å
285	K	97.6	Very high	97.5	Very high	122 Å²	122	46.4 Å²	46.4	53%	0.53	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-42.8	177.5	-74.9	172.3	-176.3	174.8	0	111.8	L281 H282 A288 L289	L281-K285 WeakPolarHBondContact O-CB 3.39Å; L281-K285 VanDerWaalsContact O-CG 3.23Å; L281-K285 WeakPolarHBondContact O-CG 3.1Å; L281-K285 PolarHBondContact O-N 2.79Å; H282-K285 PolarHBondContact O-N 3.47Å; K285-A288 PolarHBondContact O-N 2.85Å; K285-L289 WeakPolarHBondContact O-CG 3.28Å; K285-L289 PolarHBondContact O-N 2.85Å
286	T	96.8	Very high	97.6	Very high	68 Å²	68	42.2 Å²	42.2	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-46.3	178.2	-64.4	0	0	0	0	111	H282 A283 A288 L289	H282-T286 WeakPolarHBondContact O-CB 3.38Å; H282-T286 PolarHBondContact O-N 3.4Å; H282-T286 PolarHBondContact O-OG1 3.11Å; H282-T286 VanDerWaalsContact O-OG1 3.06Å; A283-T286 PolarHBondContact O-N 2.76Å; T286-A288 VanDerWaalsContact C-N 3.34Å; T286-A288 PolarHBondContact O-N 3.34Å; T286-L289 WeakPolarHBondContact O-CB 3.41Å; T286-L289 PolarHBondContact O-N 3.11Å
287	Q	97.3	Very high	97.6	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-38.3	177.2	-172.5	177.8	-48.8	0	0	112.1	P242 A283 A284 L289 V290 Y291 I296 I297	P242-Q287 HydrophobicContact CB-CG 4.17Å; P242-Q287 VanDerWaalsContact CG-CD 3.48Å; P242-Q287 HydrophobicContact CG-CG 4.01Å; A283-Q287 WeakPolarHBondContact O-CB 3.49Å; A283-Q287 PolarHBondContact O-N 2.82Å; A284-Q287 PolarHBondContact O-N 2.74Å; Q287-L289 PolarHBondContact O-N 2.66Å; Q287-L289 VanDerWaalsContact O-N 3.11Å; Q287-V290 VanDerWaalsContact O-CG2 3.27Å; Q287-V290 WeakPolarHBondContact O-CG2 3.38Å; Q287-V290 PolarHBondContact O-N 3.35Å; Q287-Y291 HydrophobicContact CG-CD2 4.23Å; Q287-Y291 HydrophobicContact CG-CE2 3.83Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.39Å; Q287-I296 HydrophobicContact CB-CD1 4.14Å; Q287-I296 HydrophobicContact CG-CD1 4.34Å; Q287-I297 PolarHBondContact NE2-O 3.05Å
288	A	97.5	Very high	97.6	Very high	21 Å²	21	42.2 Å²	42.2	17%	0.174	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-19.4	176.9	0	0	0	0	0	113.9	L47 A284 K285 T286 V290 I296	L47-A288 HydrophobicContact CD1-CB 3.75Å; L47-A288 HydrophobicContact CD2-CB 3.85Å; L47-A288 HydrophobicContact CG-CB 4.48Å; A284-A288 WeakPolarHBondContact O-CB 3.41Å; A284-A288 PolarHBondContact O-N 2.72Å; K285-A288 PolarHBondContact O-N 2.85Å; T286-A288 VanDerWaalsContact C-N 3.34Å; T286-A288 PolarHBondContact O-N 3.34Å; A288-V290 PolarHBondContact O-N 3.05Å; A288-I296 HydrophobicContact CB-CG2 4.11Å
289	L	96.6	Very high	97.6	Very high	117 Å²	117	36.7 Å²	36.7	61%	0.613	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.4	177.7	-62.8	175.8	0	0	0	113.1	K217 K285 T286 Q287	K217-L289 WeakPolarHBondContact CE-O 3.36Å; K217-L289 PolarHBondContact NZ-O 3.26Å; K285-L289 WeakPolarHBondContact O-CG 3.28Å; K285-L289 PolarHBondContact O-N 2.85Å; T286-L289 WeakPolarHBondContact O-CB 3.41Å; T286-L289 PolarHBondContact O-N 3.11Å; Q287-L289 PolarHBondContact O-N 2.66Å; Q287-L289 VanDerWaalsContact O-N 3.11Å
290	V	95.6	Very high	97.6	Very high	25 Å²	25	32.6 Å²	32.6	15%	0.152	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.4	-174.9	-54.4	0	0	0	0	114.2	M214 K217 Q287 A288	M214-V290 HydrophobicContact CB-CB 4.15Å; M214-V290 HydrophobicContact CB-CG1 3.76Å; M214-V290 HydrophobicContact CG-CB 4.18Å; M214-V290 HydrophobicContact CG-CG1 4.02Å; M214-V290 HydrophobicContact CG-CG2 4.49Å; K217-V290 WeakPolarHBondContact CA-O 3.3Å; Q287-V290 VanDerWaalsContact O-CG2 3.27Å; Q287-V290 WeakPolarHBondContact O-CG2 3.38Å; Q287-V290 PolarHBondContact O-N 3.35Å; A288-V290 PolarHBondContact O-N 3.05Å
291	Y	96.4	Very high	97.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.016	17%	0.17	C	C	.	.			trans	-112.2	158.3	177	-71	-77.9	0	0	0	111.7	Q219 E220 I240 P242 Q287 I296	Q219-Y291 HydrophobicContact CB-CD1 4.39Å; Q219-Y291 HydrophobicContact CB-CE1 3.94Å; E220-Y291 HydrophobicContact CG-CD1 3.95Å; E220-Y291 HydrophobicContact CG-CE1 4.09Å; I240-Y291 PolarHBondContact O-OH 3.44Å; I240-Y291 VanDerWaalsContact O-OH 3.12Å; P242-Y291 HydrophobicContact CB-CE2 4.26Å; P242-Y291 WeakPolarHBondContact CD-OH 3.49Å; P242-Y291 HydrophobicContact CG-CE2 4.26Å; P242-Y291 WeakPolarHBondContact CG-OH 3.47Å; Q287-Y291 HydrophobicContact CG-CD2 4.23Å; Q287-Y291 HydrophobicContact CG-CE2 3.83Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.39Å; Y291-I296 HydrophobicContact CD2-CG2 3.81Å; Y291-I296 HydrophobicContact CG-CG2 4.28Å
292	K	95.6	Very high	97.5	Very high	61 Å²	61	32.9 Å²	32.9	27%	0.265	17%	0.173	S	C	.	.	S	Bend	trans	-84.6	-37	-177.4	-70.6	-171.2	175.8	-171.4	0	113.3	K217 L352 T353 W354 E954	K217-K292 HydrophobicContact CB-CG 4.13Å; K217-K292 VanDerWaalsContact O-CE 3.3Å; K217-K292 WeakPolarHBondContact O-CE 3.48Å; K217-K292 WeakPolarHBondContact O-CG 3.47Å; K292-L352 HydrophobicContact CB-CD1 4.37Å; K292-T353 PolarHBondContact NZ-O 2.95Å; K292-W354 HydrophobicContact CB-CZ3 4.32Å; K292-W354 HydrophobicContact CD-CE3 4.15Å; K292-W354 HydrophobicContact CD-CZ3 3.94Å; K292-W354 HydrophobicContact CG-CZ3 4.48Å; K292-E954 IonicContact NZ-OE1 3.87Å; K292-E954 PolarHBondContact NZ-OE1 3.32Å
293	T	96.9	Very high	97.5	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.104	15%	0.154	C	C	.	.	S	Bend	trans	-92.1	176.5	-174.6	72	0	0	0	0	111.5	H295 L347 A350 L352 W354	T293-H295 PolarHBondContact O-N 2.97Å; T293-H295 PolarHBondContact OG1-N 2.81Å; T293-H295 PolarHBondContact OG1-O 3.23Å; T293-L347 HydrophobicContact CG2-CD2 3.73Å; T293-A350 HydrophobicContact CG2-CB 3.94Å; T293-L352 HydrophobicContact CG2-CD1 3.85Å; T293-W354 HydrophobicContact CG2-CH2 4.02Å
294	N	97.8	Very high	97.5	Very high	58 Å²	58	27.5 Å²	27.5	31%	0.31	15%	0.145	S	C	.	.	S	Bend	trans	-85.8	19.6	166.7	65.3	-51.6	0	0	0	112.5	P44 M46 L47 N48	P44-N294 PolarHBondContact O-ND2 2.89Å; M46-N294 PolarHBondContact O-ND2 3.31Å; L47-N294 CarbonylContact C-O 3.44Å; L47-N294 WeakPolarHBondContact CA-O 3.29Å; N48-N294 PolarHBondContact N-O 2.91Å
295	H	98.6	Very high	97.5	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.046	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135	174.5	-63.4	-101	0	0	0	108.6	N48 H50 T293 Y343 E346	N48-H295 PolarHBondContact ND2-CE1 2.88Å; N48-H295 WeakPolarHBondContact O-CA 3.27Å; H50-H295 AromaticContact CE1-ND1 3.99Å; H50-H295 AromaticContact NE2-CG 3.84Å; H50-H295 AromaticContact NE2-ND1 3.04Å; H50-H295 PolarHBondContact NE2-ND1 3.44Å; T293-H295 PolarHBondContact O-N 2.97Å; T293-H295 PolarHBondContact OG1-N 2.81Å; T293-H295 PolarHBondContact OG1-O 3.23Å; H295-Y343 HydrophobicContact CB-CD2 4.21Å; H295-Y343 HydrophobicContact CB-CE2 3.82Å; H295-Y343 PolarHBondContact O-OH 3.35Å; H295-E346 HydrophobicContact CB-CB 4.49Å; H295-E346 IonicContact CE1-OE2 2.92Å; H295-E346 PolarHBondContact CE1-OE2 2.86Å; H295-E346 WeakPolarHBondContact ND1-CB 3.5Å; H295-E346 IonicContact ND1-OE2 2.99Å; H295-E346 IonicContact NE2-OE2 3.2Å
296	I	98.4	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.1	172.1	62.2	172.8	0	0	0	110.7	L47 N48 V49 H50 A284 Q287 A288 Y291 M298	L47-I296 HydrophobicContact CD1-CD1 4.4Å; L47-I296 HydrophobicContact CD1-CG1 4.22Å; L47-I296 HydrophobicContact CD1-CG2 4.16Å; L47-I296 HydrophobicContact CD2-CD1 4.42Å; N48-I296 PolarHBondContact O-N 2.92Å; V49-I296 HydrophobicContact CB-CG1 4.27Å; V49-I296 HydrophobicContact CG1-CD1 4.21Å; V49-I296 HydrophobicContact CG1-CG1 4.1Å; V49-I296 HydrophobicContact CG2-CD1 3.98Å; V49-I296 HydrophobicContact CG2-CG1 4Å; H50-I296 WeakPolarHBondContact CB-O 3.26Å; H50-I296 PolarHBondContact CD2-O 2.87Å; H50-I296 PolarHBondContact N-O 3.2Å; A284-I296 HydrophobicContact CB-CD1 4.19Å; A284-I296 WeakPolarHBondContact O-CD1 3.22Å; Q287-I296 HydrophobicContact CB-CD1 4.14Å; Q287-I296 HydrophobicContact CG-CD1 4.34Å; A288-I296 HydrophobicContact CB-CG2 4.11Å; Y291-I296 HydrophobicContact CD2-CG2 3.81Å; Y291-I296 HydrophobicContact CG-CG2 4.28Å; I296-M298 HydrophobicContact CD1-CE 3.94Å
297	I	98.1	Very high	97.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.3	177	-173.7	168.9	0	0	0	111.5	V52 W177 L241 Q287 Y343	V52-I297 HydrophobicContact CG2-CD1 3.95Å; V52-I297 HydrophobicContact CG2-CG1 3.82Å; W177-I297 HydrophobicContact CH2-CD1 4.25Å; W177-I297 HydrophobicContact CZ3-CD1 4.34Å; L241-I297 HydrophobicContact CD2-CD1 4.19Å; L241-I297 HydrophobicContact CD2-CG2 3.89Å; Q287-I297 PolarHBondContact NE2-O 3.05Å; I297-Y343 HydrophobicContact CB-CD1 3.79Å; I297-Y343 HydrophobicContact CB-CD2 4.16Å; I297-Y343 HydrophobicContact CB-CE1 3.84Å; I297-Y343 HydrophobicContact CB-CE2 4.21Å; I297-Y343 HydrophobicContact CB-CG 3.94Å; I297-Y343 HydrophobicContact CD1-CD1 3.98Å; I297-Y343 HydrophobicContact CD1-CG 4.32Å; I297-Y343 HydrophobicContact CG1-CD1 4.42Å; I297-Y343 HydrophobicContact CG2-CD1 4Å; I297-Y343 HydrophobicContact CG2-CE1 3.63Å
298	M	98.4	Very high	97.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.8	171.7	-69.7	-178.2	171.7	0	0	109.5	V49 H50 L51 V52 P248 F280 A284 I296 M300	V49-M298 HydrophobicContact CG1-CE 4.09Å; V49-M298 HydrophobicContact CG1-CG 4.01Å; V49-M298 HydrophobicContact CG1-SD 3.51Å; V49-M298 VanDerWaalsContact CG1-SD 3.51Å; H50-M298 PolarHBondContact O-N 2.67Å; L51-M298 HydrophobicContact CD2-CB 3.96Å; L51-M298 HydrophobicContact CD2-SD 4.2Å; V52-M298 PolarHBondContact N-O 3.02Å; P248-M298 HydrophobicContact CG-CB 4.38Å; P248-M298 HydrophobicContact CG-CE 4.18Å; P248-M298 HydrophobicContact CG-CG 4.08Å; P248-M298 HydrophobicContact CG-SD 3.71Å; F280-M298 HydrophobicContact CE2-SD 3.78Å; F280-M298 HydrophobicContact CZ-SD 3.88Å; A284-M298 HydrophobicContact CB-CE 4Å; I296-M298 HydrophobicContact CD1-CE 3.94Å; M298-M300 HydrophobicContact CB-SD 4.21Å; M298-M300 PolarHBondContact O-N 3.18Å
299	T	98.1	Very high	97.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	114.8	173.5	36.7	0	0	0	0	109.5	H54 W177 L241 Y245 N246 P247	H54-T299 WeakPolarHBondContact NE2-CB 3.45Å; W177-T299 HydrophobicContact CH2-CG2 3.95Å; W177-T299 HydrophobicContact CZ2-CG2 3.85Å; L241-T299 HydrophobicContact CD1-CG2 4.04Å; Y245-T299 WeakPolarHBondContact O-CB 3.08Å; Y245-T299 PolarHBondContact O-OG1 2.78Å; N246-T299 CarbonylContact C-O 3.51Å; N246-T299 PolarHBondContact O-OG1 2.76Å; P247-T299 WeakPolarHBondContact CA-O 3.33Å
300	M	98.4	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	67.5	-179.2	-57.4	-53.6	-79	0	0	109	L51 V52 P247 F251 W253 M298 Y306 W312 L316	L51-M300 HydrophobicContact CB-CG 3.99Å; L51-M300 HydrophobicContact CD2-CG 4.12Å; L51-M300 HydrophobicContact CD2-SD 4.03Å; V52-M300 PolarHBondContact O-N 2.92Å; P247-M300 HydrophobicContact CB-SD 4.47Å; F251-M300 HydrophobicContact CB-CE 4.24Å; W253-M300 HydrophobicContact CZ3-CE 4.15Å; M298-M300 HydrophobicContact CB-SD 4.21Å; M298-M300 PolarHBondContact O-N 3.18Å; M300-Y306 WeakPolarHBondContact O-CE2 3.31Å; M300-Y306 VanDerWaalsContact O-CZ 3.3Å; M300-Y306 PolarHBondContact O-OH 3.17Å; M300-W312 HydrophobicContact CB-CE3 4.42Å; M300-W312 HydrophobicContact CB-CZ3 4Å; M300-W312 HydrophobicContact CE-CZ3 4.17Å; M300-L316 HydrophobicContact CB-CD1 4.48Å; M300-L316 HydrophobicContact CB-CD2 4.32Å; M300-L316 HydrophobicContact CE-CD2 3.48Å; M300-L316 VanDerWaalsContact CE-CD2 3.48Å; M300-L316 HydrophobicContact CG-CD2 4.03Å
301	G	97.8	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.			trans	-179.7	172	-174	0	0	0	0	0	112.6	H54 P247 Q305	H54-G301 PolarHBondContact NE2-O 2.93Å; H54-G301 VanDerWaalsContact O-CA 3.29Å; H54-G301 WeakPolarHBondContact O-CA 3.32Å; P247-G301 WeakPolarHBondContact CD-O 3.1Å; G301-Q305 VanDerWaalsContact CA-OE1 3.31Å
302	S	97.8	Very high	98	Very high	16 Å²	16	20.6 Å²	20.6	11%	0.112	11%	0.107	C	C	.	.			trans	-162.6	-168.4	176.4	-163.8	0	0	0	0	109	H56 N246 F304 Q305	H56-S302 PolarHBondContact N-O 2.57Å; H56-S302 VanDerWaalsContact N-O 3.1Å; N246-S302 WeakPolarHBondContact OD1-CB 3.28Å; N246-S302 PolarHBondContact OD1-OG 2.99Å; S302-F304 PolarHBondContact O-N 2.82Å; S302-Q305 VanDerWaalsContact CB-CD 3.4Å; S302-Q305 PolarHBondContact O-N 2.97Å
303	D	98.1	Very high	98.1	Very high	36 Å²	36	17.7 Å²	17.7	19%	0.193	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-52.5	119.6	178.7	-59	4	0	0	0	111	H56 Y245 Q305	H56-D303 IonicContact CD2-OD1 3.82Å; H56-D303 WeakPolarHBondContact O-CA 3.39Å; Y245-D303 WeakPolarHBondContact CE2-OD1 3.25Å; Y245-D303 PolarHBondContact OH-OD1 3.2Å; D303-Q305 PolarHBondContact O-N 3.31Å
304	F	98.4	Very high	98.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.3	175.2	-58.5	-80.9	0	0	0	116.1	H56 D57 D58 Y68 A79 V81 I84 S302	H56-F304 PolarHBondContact O-N 3.49Å; D57-F304 HydrophobicContact CB-CD1 4.48Å; D57-F304 HydrophobicContact CB-CE1 4.16Å; D58-F304 HydrophobicContact CB-CE2 4.13Å; D58-F304 HydrophobicContact CB-CZ 3.84Å; Y68-F304 HydrophobicContact CD1-CD1 4.1Å; Y68-F304 HydrophobicContact CD1-CD2 4.45Å; Y68-F304 AromaticContact CD1-CE1 3.42Å; Y68-F304 HydrophobicContact CD1-CE1 3.42Å; Y68-F304 VanDerWaalsContact CD1-CE1 3.42Å; Y68-F304 AromaticContact CD1-CE2 3.85Å; Y68-F304 HydrophobicContact CD1-CE2 3.85Å; Y68-F304 AromaticContact CD1-CZ 3.26Å; Y68-F304 HydrophobicContact CD1-CZ 3.26Å; Y68-F304 HydrophobicContact CD2-CE1 4.49Å; Y68-F304 AromaticContact CD2-CZ 3.96Å; Y68-F304 HydrophobicContact CD2-CZ 3.96Å; Y68-F304 HydrophobicContact CE1-CD2 4.05Å; Y68-F304 AromaticContact CE1-CE1 3.91Å; Y68-F304 HydrophobicContact CE1-CE1 3.91Å; Y68-F304 AromaticContact CE1-CE2 3.4Å; Y68-F304 HydrophobicContact CE1-CE2 3.4Å; Y68-F304 AromaticContact CE1-CZ 3.29Å; Y68-F304 HydrophobicContact CE1-CZ 3.29Å; Y68-F304 HydrophobicContact CE2-CE2 4.45Å; Y68-F304 AromaticContact CE2-CZ 3.97Å; Y68-F304 HydrophobicContact CE2-CZ 3.97Å; Y68-F304 AromaticContact CG-CE1 3.77Å; Y68-F304 HydrophobicContact CG-CE1 3.77Å; Y68-F304 AromaticContact CG-CZ 3.63Å; Y68-F304 HydrophobicContact CG-CZ 3.63Å; Y68-F304 AromaticContact CZ-CE2 3.74Å; Y68-F304 AromaticContact CZ-CZ 3.66Å; A79-F304 HydrophobicContact CB-CB 3.6Å; A79-F304 HydrophobicContact CB-CD1 3.68Å; A79-F304 HydrophobicContact CB-CD2 3.88Å; A79-F304 HydrophobicContact CB-CE1 4.29Å; A79-F304 HydrophobicContact CB-CE2 4.49Å; A79-F304 HydrophobicContact CB-CG 3.43Å; A79-F304 VanDerWaalsContact CB-CG 3.43Å; V81-F304 HydrophobicContact CG2-CD1 4.02Å; V81-F304 HydrophobicContact CG2-CE1 3.85Å; I84-F304 HydrophobicContact CD1-CB 4.38Å; I84-F304 HydrophobicContact CD1-CD1 4.49Å; S302-F304 PolarHBondContact O-N 2.82Å
305	Q	98.3	Very high	98.2	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.07	10%	0.102	C	C	.	.			trans	-76.2	172.1	174.7	-68.8	-170.1	-18.1	0	0	111.7	T55 I84 C252 D254 G301 S302 D303 E307	T55-Q305 PolarHBondContact OG1-N 3.17Å; T55-Q305 PolarHBondContact OG1-O 3.03Å; I84-Q305 WeakPolarHBondContact CD1-O 3.41Å; C252-Q305 PolarHBondContact SG-NE2 3.48Å; D254-Q305 HydrophobicContact CB-CB 4.29Å; D254-Q305 HydrophobicContact CB-CG 3.89Å; D254-Q305 WeakPolarHBondContact OD2-CA 3.49Å; D254-Q305 WeakPolarHBondContact OD2-CB 3.48Å; G301-Q305 VanDerWaalsContact CA-OE1 3.31Å; S302-Q305 VanDerWaalsContact CB-CD 3.4Å; S302-Q305 PolarHBondContact O-N 2.97Å; D303-Q305 PolarHBondContact O-N 3.31Å; Q305-E307 VanDerWaalsContact C-N 3.33Å; Q305-E307 PolarHBondContact O-N 2.92Å
306	Y	98.6	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.			trans	70.7	16.7	-176.7	-66.6	-106.3	0	0	0	115.2	P53 H54 I84 S87 V88 F100 D254 M300 N308 A309 W312 Y313	P53-Y306 HydrophobicContact CB-CE1 4.16Å; P53-Y306 WeakPolarHBondContact CB-OH 3.5Å; H54-Y306 WeakPolarHBondContact O-CD2 3.47Å; H54-Y306 WeakPolarHBondContact O-CE2 3.4Å; I84-Y306 WeakPolarHBondContact CA-O 3.18Å; S87-Y306 PolarHBondContact OG-O 2.79Å; V88-Y306 HydrophobicContact CG2-CD1 4.2Å; V88-Y306 HydrophobicContact CG2-CG 4.39Å; F100-Y306 HydrophobicContact CD2-CD1 4.25Å; F100-Y306 HydrophobicContact CD2-CE1 4.21Å; F100-Y306 AromaticContact CE2-CD1 3.61Å; F100-Y306 HydrophobicContact CE2-CD1 3.61Å; F100-Y306 AromaticContact CE2-CD2 3.89Å; F100-Y306 HydrophobicContact CE2-CD2 3.89Å; F100-Y306 AromaticContact CE2-CE1 3.82Å; F100-Y306 HydrophobicContact CE2-CE1 3.82Å; F100-Y306 HydrophobicContact CE2-CE2 4.11Å; F100-Y306 AromaticContact CE2-CG 3.66Å; F100-Y306 HydrophobicContact CE2-CG 3.66Å; F100-Y306 HydrophobicContact CZ-CD2 4.38Å; F100-Y306 HydrophobicContact CZ-CG 4.19Å; D254-Y306 PolarHBondContact OD2-N 3.38Å; M300-Y306 WeakPolarHBondContact O-CE2 3.31Å; M300-Y306 VanDerWaalsContact O-CZ 3.3Å; M300-Y306 PolarHBondContact O-OH 3.17Å; Y306-N308 PolarHBondContact O-N 3.18Å; Y306-A309 HydrophobicContact CD1-CB 3.79Å; Y306-A309 PolarHBondContact O-N 3.48Å; Y306-W312 HydrophobicContact CD1-CB 3.96Å; Y306-W312 AromaticContact CD1-CD1 3.93Å; Y306-W312 HydrophobicContact CD1-CG 4.02Å; Y306-W312 AromaticContact CD2-CD1 3.78Å; Y306-W312 HydrophobicContact CD2-CG 4.21Å; Y306-W312 AromaticContact CD2-NE1 3.87Å; Y306-W312 HydrophobicContact CE1-CB 3.36Å; Y306-W312 AromaticContact CE1-CD1 3.91Å; Y306-W312 HydrophobicContact CE1-CD2 4.25Å; Y306-W312 AromaticContact CE1-CG 3.54Å; Y306-W312 HydrophobicContact CE1-CG 3.54Å; Y306-W312 HydrophobicContact CE2-CB 4.45Å; Y306-W312 AromaticContact CE2-CD1 3.72Å; Y306-W312 AromaticContact CE2-CD2 3.78Å; Y306-W312 HydrophobicContact CE2-CD2 3.78Å; Y306-W312 AromaticContact CE2-CE2 3.84Å; Y306-W312 HydrophobicContact CE2-CE3 4.45Å; Y306-W312 AromaticContact CE2-CG 3.74Å; Y306-W312 HydrophobicContact CE2-CG 3.74Å; Y306-W312 AromaticContact CE2-NE1 3.76Å; Y306-W312 AromaticContact CG-CD1 3.85Å; Y306-W312 HydrophobicContact CG-CG 4.32Å; Y306-W312 AromaticContact CZ-CD1 3.78Å; Y306-W312 AromaticContact CZ-CD2 3.58Å; Y306-W312 AromaticContact CZ-CG 3.36Å; Y306-Y313 HydrophobicContact CD1-CE2 4.3Å; Y306-Y313 HydrophobicContact CE1-CD2 4.42Å; Y306-Y313 HydrophobicContact CE1-CE2 4.08Å
307	E	97.6	Very high	98.3	Very high	23 Å²	23	22 Å²	22	11%	0.107	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.6	167.5	-85.4	-165.4	-127.4	0	0	111.4	H78 A79 G80 I84 S87 Q305	H78-E307 IonicContact CD2-OE1 2.89Å; H78-E307 PolarHBondContact CD2-OE1 3.44Å; H78-E307 IonicContact NE2-OE1 3.18Å; H78-E307 IonicContact NE2-OE2 2.7Å; A79-E307 VanDerWaalsContact C-OE1 3.27Å; A79-E307 WeakPolarHBondContact CA-OE1 3.47Å; A79-E307 PolarHBondContact N-OE1 3.28Å; G80-E307 VanDerWaalsContact N-CD 3.32Å; G80-E307 PolarHBondContact N-OE1 2.81Å; I84-E307 HydrophobicContact CD1-CG 4.24Å; I84-E307 HydrophobicContact CG1-CB 4.27Å; I84-E307 HydrophobicContact CG1-CG 3.57Å; S87-E307 WeakPolarHBondContact CB-O 3.3Å; S87-E307 PolarHBondContact OG-O 2.81Å; S87-E307 VanDerWaalsContact OG-O 3.13Å; Q305-E307 VanDerWaalsContact C-N 3.33Å; Q305-E307 PolarHBondContact O-N 2.92Å
308	N	97.8	Very high	98.3	Very high	66 Å²	66	23.6 Å²	23.6	35%	0.353	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	79.1	163.7	-173.9	-3.8	0	0	0	110.2	Y306 N310 L311	Y306-N308 PolarHBondContact O-N 3.18Å; N308-N310 PolarHBondContact O-N 3.49Å; N308-N310 WeakPolarHBondContact OD1-CB 3.35Å; N308-N310 PolarHBondContact OD1-N 3.4Å; N308-L311 HydrophobicContact CB-CD1 4.27Å; N308-L311 HydrophobicContact CB-CG 4.39Å; N308-L311 PolarHBondContact O-N 3.42Å; N308-L311 VanDerWaalsContact O-N 3.11Å
309	A	98.6	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-54.4	-22.5	-178.8	0	0	0	0	0	114.2	S87 V88 Q91 Y306 L311 W312 Y313	S87-A309 VanDerWaalsContact OG-CB 3.3Å; S87-A309 WeakPolarHBondContact OG-CB 3.46Å; S87-A309 PolarHBondContact OG-N 3.45Å; V88-A309 HydrophobicContact CG2-CB 3.92Å; Q91-A309 HydrophobicContact CB-CB 4.23Å; Q91-A309 HydrophobicContact CG-CB 3.78Å; Y306-A309 HydrophobicContact CD1-CB 3.79Å; Y306-A309 PolarHBondContact O-N 3.48Å; A309-L311 VanDerWaalsContact C-N 3.25Å; A309-L311 PolarHBondContact O-N 3.08Å; A309-W312 PolarHBondContact O-N 2.99Å; A309-Y313 HydrophobicContact CB-CD2 4.06Å; A309-Y313 HydrophobicContact CB-CE2 4.18Å; A309-Y313 VanDerWaalsContact O-CD2 3.24Å; A309-Y313 WeakPolarHBondContact O-CD2 3.35Å; A309-Y313 PolarHBondContact O-N 3.01Å
310	N	98.4	Very high	98.4	Very high	61 Å²	61	24.7 Å²	24.7	33%	0.326	12%	0.124	S	C	.	.	H	α-helix	trans	-60.9	-33.7	179.2	-173.2	71	0	0	0	112.8	Q91 N308 K314	Q91-N310 HydrophobicContact CG-CB 4.36Å; Q91-N310 PolarHBondContact NE2-OD1 3.36Å; Q91-N310 VanDerWaalsContact NE2-OD1 3.11Å; Q91-N310 PolarHBondContact OE1-OD1 3.32Å; N308-N310 PolarHBondContact O-N 3.49Å; N308-N310 WeakPolarHBondContact OD1-CB 3.35Å; N308-N310 PolarHBondContact OD1-N 3.4Å; N310-K314 WeakPolarHBondContact O-CB 3.45Å; N310-K314 PolarHBondContact O-N 2.99Å
311	L	97.9	Very high	98.4	Very high	61 Å²	61	32 Å²	32	32%	0.319	15%	0.152	S	C	.	.	H	α-helix	trans	-64	-47.4	179.3	-62.2	176.7	0	0	0	111	W253 Q255 N308 A309 N315	W253-L311 CarbonylContact O-C 3.57Å; W253-L311 WeakPolarHBondContact O-CB 3.07Å; Q255-L311 HydrophobicContact CB-CD1 3.78Å; N308-L311 HydrophobicContact CB-CD1 4.27Å; N308-L311 HydrophobicContact CB-CG 4.39Å; N308-L311 PolarHBondContact O-N 3.42Å; N308-L311 VanDerWaalsContact O-N 3.11Å; A309-L311 VanDerWaalsContact C-N 3.25Å; A309-L311 PolarHBondContact O-N 3.08Å; L311-N315 PolarHBondContact O-ND2 3.16Å
312	W	98.6	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-58.2	173	-82	99.9	0	0	0	112	P247 F251 C252 W253 D254 M300 Y306 A309 K314 N315 L316	P247-W312 HydrophobicContact CB-CH2 4.11Å; P247-W312 HydrophobicContact CG-CH2 4.04Å; F251-W312 WeakPolarHBondContact O-CZ3 3.43Å; C252-W312 HydrophobicContact CB-CH2 4.42Å; W253-W312 HydrophobicContact CE3-CE3 4.25Å; W253-W312 HydrophobicContact CE3-CZ3 4.24Å; W253-W312 PolarHBondContact O-N 3.14Å; D254-W312 HydrophobicContact CB-CZ2 4.18Å; D254-W312 VanDerWaalsContact CB-NE1 3.34Å; D254-W312 PolarHBondContact OD2-NE1 3.49Å; M300-W312 HydrophobicContact CB-CE3 4.42Å; M300-W312 HydrophobicContact CB-CZ3 4Å; M300-W312 HydrophobicContact CE-CZ3 4.17Å; Y306-W312 HydrophobicContact CD1-CB 3.96Å; Y306-W312 AromaticContact CD1-CD1 3.93Å; Y306-W312 HydrophobicContact CD1-CG 4.02Å; Y306-W312 AromaticContact CD2-CD1 3.78Å; Y306-W312 HydrophobicContact CD2-CG 4.21Å; Y306-W312 AromaticContact CD2-NE1 3.87Å; Y306-W312 HydrophobicContact CE1-CB 3.36Å; Y306-W312 AromaticContact CE1-CD1 3.91Å; Y306-W312 HydrophobicContact CE1-CD2 4.25Å; Y306-W312 AromaticContact CE1-CG 3.54Å; Y306-W312 HydrophobicContact CE1-CG 3.54Å; Y306-W312 HydrophobicContact CE2-CB 4.45Å; Y306-W312 AromaticContact CE2-CD1 3.72Å; Y306-W312 AromaticContact CE2-CD2 3.78Å; Y306-W312 HydrophobicContact CE2-CD2 3.78Å; Y306-W312 AromaticContact CE2-CE2 3.84Å; Y306-W312 HydrophobicContact CE2-CE3 4.45Å; Y306-W312 AromaticContact CE2-CG 3.74Å; Y306-W312 HydrophobicContact CE2-CG 3.74Å; Y306-W312 AromaticContact CE2-NE1 3.76Å; Y306-W312 AromaticContact CG-CD1 3.85Å; Y306-W312 HydrophobicContact CG-CG 4.32Å; Y306-W312 AromaticContact CZ-CD1 3.78Å; Y306-W312 AromaticContact CZ-CD2 3.58Å; Y306-W312 AromaticContact CZ-CG 3.36Å; A309-W312 PolarHBondContact O-N 2.99Å; W312-K314 VanDerWaalsContact C-N 3.32Å; W312-K314 PolarHBondContact O-N 3.39Å; W312-N315 PolarHBondContact O-N 3.07Å; W312-N315 VanDerWaalsContact O-N 3.13Å; W312-L316 HydrophobicContact CB-CD1 4.32Å; W312-L316 HydrophobicContact CE3-CD1 4.06Å; W312-L316 HydrophobicContact CE3-CG 4.33Å; W312-L316 WeakPolarHBondContact O-CB 3.33Å; W312-L316 VanDerWaalsContact O-CG 3.3Å; W312-L316 WeakPolarHBondContact O-CG 3.43Å; W312-L316 PolarHBondContact O-N 3.07Å
313	Y	98.8	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-34.8	-170.9	-81.2	-66.4	0	0	0	113.4	Q91 L92 R98 R99 Y306 A309 N315 L316 D317 Y337	Q91-Y313 HydrophobicContact CB-CD2 3.36Å; Q91-Y313 HydrophobicContact CB-CE2 3.71Å; Q91-Y313 HydrophobicContact CB-CG 4.15Å; Q91-Y313 HydrophobicContact CG-CD2 3.88Å; L92-Y313 WeakPolarHBondContact CD2-OH 3.33Å; R98-Y313 HydrophobicContact CB-CD1 4.06Å; R98-Y313 HydrophobicContact CB-CE1 3.54Å; R98-Y313 HydrophobicContact CG-CD1 3.45Å; R98-Y313 VanDerWaalsContact CG-CD1 3.45Å; R98-Y313 HydrophobicContact CG-CE1 3.49Å; R98-Y313 VanDerWaalsContact CG-CE1 3.49Å; R98-Y313 HydrophobicContact CG-CG 4.39Å; R99-Y313 PolarHBondContact O-OH 3.4Å; Y306-Y313 HydrophobicContact CD1-CE2 4.3Å; Y306-Y313 HydrophobicContact CE1-CD2 4.42Å; Y306-Y313 HydrophobicContact CE1-CE2 4.08Å; A309-Y313 HydrophobicContact CB-CD2 4.06Å; A309-Y313 HydrophobicContact CB-CE2 4.18Å; A309-Y313 VanDerWaalsContact O-CD2 3.24Å; A309-Y313 WeakPolarHBondContact O-CD2 3.35Å; A309-Y313 PolarHBondContact O-N 3.01Å; Y313-N315 VanDerWaalsContact C-N 3.29Å; Y313-N315 PolarHBondContact O-N 2.88Å; Y313-L316 PolarHBondContact O-N 3.31Å; Y313-D317 WeakPolarHBondContact O-CB 3.45Å; Y313-D317 PolarHBondContact O-N 3Å; Y313-Y337 HydrophobicContact CD1-CE1 4.11Å; Y313-Y337 AromaticContact CD1-CZ 3.91Å; Y313-Y337 WeakPolarHBondContact CD1-OH 3.41Å; Y313-Y337 AromaticContact CE1-CE1 3.96Å; Y313-Y337 HydrophobicContact CE1-CE1 3.96Å
314	K	98.1	Very high	98.5	Very high	119 Å²	119	33 Å²	33	52%	0.517	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-37.6	176.3	-170.1	171.5	-175.9	178.5	0	112.1	N310 W312 K318	N310-K314 WeakPolarHBondContact O-CB 3.45Å; N310-K314 PolarHBondContact O-N 2.99Å; W312-K314 VanDerWaalsContact C-N 3.32Å; W312-K314 PolarHBondContact O-N 3.39Å; K314-K318 WeakPolarHBondContact O-CG 3.31Å
315	N	98.7	Very high	98.5	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	18%	0.175	C	C	.	.	H	α-helix	trans	-81.3	-39.1	178.3	-71.7	-66.9	0	0	0	112.2	W253 P261 I262 L311 W312 Y313 K318 L319	W253-N315 HydrophobicContact CB-CB 4.14Å; W253-N315 HydrophobicContact CD2-CB 3.27Å; W253-N315 HydrophobicContact CE3-CB 3.48Å; W253-N315 VanDerWaalsContact CE3-CB 3.48Å; W253-N315 HydrophobicContact CG-CB 3.59Å; W253-N315 HydrophobicContact CH2-CB 4.2Å; W253-N315 HydrophobicContact CZ2-CB 4.08Å; W253-N315 HydrophobicContact CZ3-CB 3.94Å; P261-N315 WeakPolarHBondContact CA-OD1 3.27Å; I262-N315 WeakPolarHBondContact CD1-O 3.17Å; I262-N315 PolarHBondContact N-OD1 3.29Å; L311-N315 PolarHBondContact O-ND2 3.16Å; W312-N315 PolarHBondContact O-N 3.07Å; W312-N315 VanDerWaalsContact O-N 3.13Å; Y313-N315 VanDerWaalsContact C-N 3.29Å; Y313-N315 PolarHBondContact O-N 2.88Å; N315-K318 PolarHBondContact O-N 3.06Å; N315-L319 VanDerWaalsContact O-CB 3.3Å; N315-L319 WeakPolarHBondContact O-CB 3.39Å; N315-L319 PolarHBondContact O-N 2.9Å
316	L	98.8	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-41.9	176.3	-70.4	171.1	0	0	0	112.1	L51 P53 W253 M300 W312 Y313 K318 L319 I320 Y337	L51-L316 HydrophobicContact CD1-CD2 3.93Å; P53-L316 HydrophobicContact CG-CD1 4.17Å; W253-L316 HydrophobicContact CE3-CD2 4.46Å; W253-L316 HydrophobicContact CZ3-CD2 3.99Å; W253-L316 HydrophobicContact CZ3-CG 4.38Å; M300-L316 HydrophobicContact CB-CD1 4.48Å; M300-L316 HydrophobicContact CB-CD2 4.32Å; M300-L316 HydrophobicContact CE-CD2 3.48Å; M300-L316 VanDerWaalsContact CE-CD2 3.48Å; M300-L316 HydrophobicContact CG-CD2 4.03Å; W312-L316 HydrophobicContact CB-CD1 4.32Å; W312-L316 HydrophobicContact CE3-CD1 4.06Å; W312-L316 HydrophobicContact CE3-CG 4.33Å; W312-L316 WeakPolarHBondContact O-CB 3.33Å; W312-L316 VanDerWaalsContact O-CG 3.3Å; W312-L316 WeakPolarHBondContact O-CG 3.43Å; W312-L316 PolarHBondContact O-N 3.07Å; Y313-L316 PolarHBondContact O-N 3.31Å; L316-K318 VanDerWaalsContact C-N 3.33Å; L316-K318 PolarHBondContact O-N 2.88Å; L316-L319 PolarHBondContact O-N 3.41Å; L316-I320 WeakPolarHBondContact O-CB 3.14Å; L316-I320 VanDerWaalsContact O-CG1 3.29Å; L316-I320 WeakPolarHBondContact O-CG1 3.48Å; L316-I320 PolarHBondContact O-N 2.92Å; L316-Y337 HydrophobicContact CB-CE1 3.92Å; L316-Y337 WeakPolarHBondContact CB-OH 3.44Å; L316-Y337 HydrophobicContact CD1-CE1 3.97Å
317	D	98.8	Very high	98.4	Very high	46 Å²	46	40.3 Å²	40.3	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-45.5	175.5	-73.2	-24.1	0	0	0	110.9	N95 R98 Y313 R321 Y337	N95-D317 PolarHBondContact ND2-OD1 2.79Å; R98-D317 IonicContact CZ-OD2 3.92Å; R98-D317 IonicContact NE-OD1 2.69Å; R98-D317 IonicContact NE-OD2 3.75Å; R98-D317 PolarHBondContact NE-OD2 3.27Å; R98-D317 IonicContact NH2-OD2 3.89Å; R98-D317 PolarHBondContact NH2-OD2 3.27Å; Y313-D317 WeakPolarHBondContact O-CB 3.45Å; Y313-D317 PolarHBondContact O-N 3Å; D317-R321 WeakPolarHBondContact O-CB 3.43Å; D317-R321 PolarHBondContact O-N 2.89Å; D317-R321 VanDerWaalsContact O-N 3.1Å; D317-Y337 PolarHBondContact N-OH 2.9Å; D317-Y337 WeakPolarHBondContact OD1-CE2 3.22Å; D317-Y337 PolarHBondContact OD1-OH 3.04Å; D317-Y337 VanDerWaalsContact OD1-OH 3.07Å
318	K	98.7	Very high	98.3	Very high	35 Å²	35	42.7 Å²	42.7	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-45	177	-72.8	-179.3	-176.3	-161.1	0	111.9	I262 D264 K314 N315 L316 I320 R321 Y322	I262-K318 HydrophobicContact CB-CB 4.21Å; I262-K318 HydrophobicContact CB-CD 3.87Å; I262-K318 HydrophobicContact CD1-CB 3.96Å; I262-K318 HydrophobicContact CG2-CB 4.08Å; I262-K318 HydrophobicContact CG2-CD 3.94Å; I262-K318 PolarHBondContact O-NZ 3Å; D264-K318 IonicContact OD1-NZ 3.54Å; D264-K318 PolarHBondContact OD1-NZ 3.47Å; D264-K318 WeakPolarHBondContact OD2-CD 3.4Å; D264-K318 WeakPolarHBondContact OD2-CE 3.41Å; D264-K318 IonicContact OD2-NZ 3.9Å; D264-K318 PolarHBondContact OD2-NZ 3.46Å; D264-K318 VanDerWaalsContact OD2-NZ 3.13Å; K314-K318 WeakPolarHBondContact O-CG 3.31Å; N315-K318 PolarHBondContact O-N 3.06Å; L316-K318 VanDerWaalsContact C-N 3.33Å; L316-K318 PolarHBondContact O-N 2.88Å; K318-I320 PolarHBondContact O-N 2.94Å; K318-R321 PolarHBondContact O-N 2.74Å; K318-Y322 HydrophobicContact CB-CD2 4.09Å; K318-Y322 HydrophobicContact CB-CE2 4.1Å; K318-Y322 HydrophobicContact CG-CE2 4.29Å; K318-Y322 WeakPolarHBondContact O-CD2 2.96Å; K318-Y322 PolarHBondContact O-N 2.77Å
319	L	98.8	Very high	98.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-51.2	178.5	-179.1	72.1	0	0	0	110.7	L51 F251 W253 I262 V276 F280 N315 L316 R321 Y322 V323	L51-L319 HydrophobicContact CD1-CD2 4.08Å; F251-L319 HydrophobicContact CD1-CD1 4.46Å; F251-L319 HydrophobicContact CE1-CD1 4.16Å; W253-L319 HydrophobicContact CH2-CB 4.28Å; W253-L319 HydrophobicContact CH2-CD1 4.39Å; W253-L319 HydrophobicContact CH2-CD2 3.96Å; W253-L319 HydrophobicContact CH2-CG 4.44Å; W253-L319 HydrophobicContact CZ3-CD2 4.18Å; I262-L319 HydrophobicContact CD1-CB 3.9Å; I262-L319 HydrophobicContact CD1-CD1 4.42Å; V276-L319 HydrophobicContact CG1-CD1 4.05Å; F280-L319 HydrophobicContact CB-CD1 3.98Å; F280-L319 HydrophobicContact CD1-CD1 4.47Å; F280-L319 HydrophobicContact CD2-CD1 3.87Å; F280-L319 HydrophobicContact CD2-CD2 3.77Å; F280-L319 HydrophobicContact CD2-CG 4.25Å; F280-L319 HydrophobicContact CE2-CD2 3.65Å; F280-L319 HydrophobicContact CE2-CG 4.42Å; F280-L319 HydrophobicContact CG-CD1 3.83Å; F280-L319 HydrophobicContact CG-CD2 4.44Å; F280-L319 HydrophobicContact CG-CG 4.45Å; F280-L319 HydrophobicContact CZ-CD2 4.24Å; N315-L319 VanDerWaalsContact O-CB 3.3Å; N315-L319 WeakPolarHBondContact O-CB 3.39Å; N315-L319 PolarHBondContact O-N 2.9Å; L316-L319 PolarHBondContact O-N 3.41Å; L319-R321 VanDerWaalsContact C-N 3.33Å; L319-R321 PolarHBondContact O-N 3.22Å; L319-Y322 PolarHBondContact O-N 2.82Å; L319-V323 HydrophobicContact CD1-CG2 3.88Å; L319-V323 HydrophobicContact CG-CG2 4.3Å; L319-V323 VanDerWaalsContact O-CB 3.3Å; L319-V323 WeakPolarHBondContact O-CB 3.25Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 2.7Å
320	I	98.8	Very high	97.9	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.138	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-48.7	178.5	-71.2	165.7	0	0	0	110.1	L51 L316 K318 N324 V335 Y337	L51-I320 HydrophobicContact CD1-CD1 4.2Å; L51-I320 HydrophobicContact CD1-CG1 3.89Å; L316-I320 WeakPolarHBondContact O-CB 3.14Å; L316-I320 VanDerWaalsContact O-CG1 3.29Å; L316-I320 WeakPolarHBondContact O-CG1 3.48Å; L316-I320 PolarHBondContact O-N 2.92Å; K318-I320 PolarHBondContact O-N 2.94Å; I320-N324 WeakPolarHBondContact O-CB 3.38Å; I320-N324 PolarHBondContact O-N 2.97Å; I320-N324 VanDerWaalsContact O-N 3.09Å; I320-N324 PolarHBondContact O-ND2 3.49Å; I320-V335 HydrophobicContact CG1-CB 4.47Å; I320-V335 HydrophobicContact CG1-CG1 3.92Å; I320-Y337 HydrophobicContact CD1-CD1 4.15Å; I320-Y337 HydrophobicContact CD1-CD2 3.52Å; I320-Y337 HydrophobicContact CD1-CE1 4.08Å; I320-Y337 HydrophobicContact CD1-CE2 3.44Å; I320-Y337 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y337 HydrophobicContact CD1-CG 3.87Å
321	R	98.6	Very high	97.8	Very high	153 Å²	153	46.8 Å²	46.8	58%	0.577	26%	0.261	S	S	*	.	H	α-helix	trans	-58.1	-60.3	178.8	177.5	-178.3	175.1	170.9	-1.9	111.7	D317 K318 L319 V323 N324 D325	D317-R321 WeakPolarHBondContact O-CB 3.43Å; D317-R321 PolarHBondContact O-N 2.89Å; D317-R321 VanDerWaalsContact O-N 3.1Å; K318-R321 PolarHBondContact O-N 2.74Å; L319-R321 VanDerWaalsContact C-N 3.33Å; L319-R321 PolarHBondContact O-N 3.22Å; R321-V323 PolarHBondContact O-N 2.82Å; R321-N324 PolarHBondContact O-N 3.34Å; R321-D325 IonicContact NE-OD2 2.81Å; R321-D325 VanDerWaalsContact O-CG 3.27Å; R321-D325 PolarHBondContact O-N 2.66Å
322	Y	98.6	Very high	97.8	Very high	40 Å²	40	48.2 Å²	48.2	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-32.5	-170.6	-70.3	-61.4	0	0	0	113.2	I262 D264 V273 K318 L319	I262-Y322 HydrophobicContact CG2-CD2 4.44Å; D264-Y322 HydrophobicContact CB-CE2 3.68Å; D264-Y322 VanDerWaalsContact CB-OH 3.28Å; D264-Y322 WeakPolarHBondContact CB-OH 3.24Å; D264-Y322 PolarHBondContact OD2-OH 3.02Å; V273-Y322 HydrophobicContact CG1-CD1 3.69Å; V273-Y322 HydrophobicContact CG1-CD2 3.78Å; V273-Y322 HydrophobicContact CG1-CE1 4.26Å; V273-Y322 HydrophobicContact CG1-CE2 4.38Å; V273-Y322 HydrophobicContact CG1-CG 3.43Å; V273-Y322 VanDerWaalsContact CG1-CG 3.43Å; V273-Y322 HydrophobicContact CG2-CD2 4.23Å; V273-Y322 HydrophobicContact CG2-CE2 4.15Å; K318-Y322 HydrophobicContact CB-CD2 4.09Å; K318-Y322 HydrophobicContact CB-CE2 4.1Å; K318-Y322 HydrophobicContact CG-CE2 4.29Å; K318-Y322 WeakPolarHBondContact O-CD2 2.96Å; K318-Y322 PolarHBondContact O-N 2.77Å; L319-Y322 PolarHBondContact O-N 2.82Å
323	V	98.6	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-41.2	173.6	178	0	0	0	0	110.8	V277 F280 L281 L319 R321 Q326 V333 V335	V277-V323 HydrophobicContact CG1-CG2 4.36Å; V277-V323 HydrophobicContact CG2-CG2 4.11Å; F280-V323 HydrophobicContact CB-CG2 4.3Å; F280-V323 HydrophobicContact CD1-CB 4.41Å; F280-V323 HydrophobicContact CD1-CG1 3.97Å; F280-V323 HydrophobicContact CD1-CG2 3.67Å; F280-V323 HydrophobicContact CE1-CG1 4.24Å; F280-V323 HydrophobicContact CE1-CG2 4.36Å; F280-V323 HydrophobicContact CG-CG2 4.18Å; L281-V323 HydrophobicContact CD2-CG1 3.79Å; L281-V323 HydrophobicContact CG-CG1 4.4Å; L319-V323 HydrophobicContact CD1-CG2 3.88Å; L319-V323 HydrophobicContact CG-CG2 4.3Å; L319-V323 VanDerWaalsContact O-CB 3.3Å; L319-V323 WeakPolarHBondContact O-CB 3.25Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 2.7Å; R321-V323 PolarHBondContact O-N 2.82Å; V323-Q326 WeakPolarHBondContact O-CB 3.4Å; V323-Q326 PolarHBondContact O-N 3.03Å; V323-V333 HydrophobicContact CG1-CG1 4.31Å; V323-V335 HydrophobicContact CB-CG2 3.91Å; V323-V335 HydrophobicContact CG1-CG2 3.43Å; V323-V335 VanDerWaalsContact CG1-CG2 3.43Å
324	N	98.6	Very high	97.8	Very high	34 Å²	34	48.8 Å²	48.8	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-71	-31	178.1	-72.6	-20.2	0	0	0	112.8	I320 R321 Q326 Q327 N334 V335	I320-N324 WeakPolarHBondContact O-CB 3.38Å; I320-N324 PolarHBondContact O-N 2.97Å; I320-N324 VanDerWaalsContact O-N 3.09Å; I320-N324 PolarHBondContact O-ND2 3.49Å; R321-N324 PolarHBondContact O-N 3.34Å; N324-Q326 PolarHBondContact O-N 3.37Å; N324-Q327 WeakPolarHBondContact O-CB 3.43Å; N324-Q327 WeakPolarHBondContact O-CG 3.44Å; N324-Q327 PolarHBondContact O-N 3.08Å; N324-Q327 PolarHBondContact OD1-NE2 3.03Å; N324-N334 WeakPolarHBondContact OD1-CA 3.19Å; N324-V335 PolarHBondContact ND2-O 2.95Å; N324-V335 PolarHBondContact OD1-N 2.71Å
325	D	98.1	Very high	97.8	Very high	88 Å²	88	43.3 Å²	43.3	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-30.7	174	-74.7	-16.3	0	0	0	111.6	R321 Q327 G328	R321-D325 IonicContact NE-OD2 2.81Å; R321-D325 VanDerWaalsContact O-CG 3.27Å; R321-D325 PolarHBondContact O-N 2.66Å; D325-Q327 PolarHBondContact O-N 2.85Å; D325-Q327 VanDerWaalsContact O-N 3.11Å; D325-G328 PolarHBondContact O-N 3.17Å; D325-G328 VanDerWaalsContact O-N 3.16Å
326	Q	97.9	Very high	97.8	Very high	44 Å²	44	43.4 Å²	43.4	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.5	174.5	-62.1	-56.7	-37.2	0	0	114	V277 V323 N324 G328 N329 G330 S331	V277-Q326 HydrophobicContact CG1-CG 3.62Å; V323-Q326 WeakPolarHBondContact O-CB 3.4Å; V323-Q326 PolarHBondContact O-N 3.03Å; N324-Q326 PolarHBondContact O-N 3.37Å; Q326-G328 PolarHBondContact O-N 3.2Å; Q326-N329 CarbonylContact O-C 2.97Å; Q326-N329 WeakPolarHBondContact O-CA 3.41Å; Q326-N329 PolarHBondContact O-N 2.96Å; Q326-N329 PolarHBondContact OE1-ND2 3.17Å; Q326-G330 PolarHBondContact O-N 3.03Å; Q326-S331 WeakPolarHBondContact O-CB 3.36Å; Q326-S331 PolarHBondContact O-N 3.06Å
327	Q	96.9	Very high	97.8	Very high	37 Å²	37	43.8 Å²	43.8	17%	0.173	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.7	172.5	-64.1	168.3	16.2	0	0	111.3	M46 N324 D325 N329 G330 S331 V333 N334	M46-Q327 HydrophobicContact CE-CB 4.5Å; M46-Q327 HydrophobicContact CE-CG 4.33Å; M46-Q327 HydrophobicContact SD-CG 4.24Å; N324-Q327 WeakPolarHBondContact O-CB 3.43Å; N324-Q327 WeakPolarHBondContact O-CG 3.44Å; N324-Q327 PolarHBondContact O-N 3.08Å; N324-Q327 PolarHBondContact OD1-NE2 3.03Å; D325-Q327 PolarHBondContact O-N 2.85Å; D325-Q327 VanDerWaalsContact O-N 3.11Å; Q327-N329 PolarHBondContact O-N 2.95Å; Q327-G330 PolarHBondContact O-N 3.15Å; Q327-G330 VanDerWaalsContact O-N 3.15Å; Q327-S331 WeakPolarHBondContact CA-O 3.26Å; Q327-V333 WeakPolarHBondContact CG-O 3.45Å; Q327-V333 PolarHBondContact NE2-O 3.16Å; Q327-N334 PolarHBondContact NE2-OD1 2.77Å
328	G	95.6	Very high	97.8	Very high	74 Å²	74	41.7 Å²	41.7	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	171.4	0	0	0	0	0	113.2	D325 Q326	D325-G328 PolarHBondContact O-N 3.17Å; D325-G328 VanDerWaalsContact O-N 3.16Å; Q326-G328 PolarHBondContact O-N 3.2Å
329	N	94.3	Very high	97.8	Very high	125 Å²	125	40.1 Å²	40.1	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	14.5	177.5	-60.1	-22.7	0	0	0	112.7	Q326 Q327	Q326-N329 CarbonylContact O-C 2.97Å; Q326-N329 WeakPolarHBondContact O-CA 3.41Å; Q326-N329 PolarHBondContact O-N 2.96Å; Q326-N329 PolarHBondContact OE1-ND2 3.17Å; Q327-N329 PolarHBondContact O-N 2.95Å
330	G	94.8	Very high	97.8	Very high	69 Å²	69	40 Å²	40	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.2	7.1	175.6	0	0	0	0	0	115.9	Q326 Q327 N332	Q326-G330 PolarHBondContact O-N 3.03Å; Q327-G330 PolarHBondContact O-N 3.15Å; Q327-G330 VanDerWaalsContact O-N 3.15Å; G330-N332 PolarHBondContact O-N 3.04Å
331	S	96.6	Very high	97.8	Very high	19 Å²	19	38.8 Å²	38.8	13%	0.133	23%	0.226	C	C	.	.			trans	-65.6	132.4	170.6	-175.3	0	0	0	0	111	L281 Q326 Q327 V333	L281-S331 WeakPolarHBondContact CD2-OG 3.12Å; Q326-S331 WeakPolarHBondContact O-CB 3.36Å; Q326-S331 PolarHBondContact O-N 3.06Å; Q327-S331 WeakPolarHBondContact CA-O 3.26Å; S331-V333 VanDerWaalsContact C-N 3.33Å
332	N	96.8	Very high	97.8	Very high	90 Å²	90	31.8 Å²	31.8	48%	0.481	20%	0.2	S	C	.	.			trans	-97	30.3	176.9	-161.3	46.5	0	0	0	112.7	T45 M46 L47 G330	T45-N332 PolarHBondContact O-ND2 3.13Å; T45-N332 PolarHBondContact O-OD1 3.41Å; M46-N332 WeakPolarHBondContact CA-O 3.15Å; M46-N332 WeakPolarHBondContact CB-O 3.36Å; M46-N332 WeakPolarHBondContact CG-OD1 3.42Å; L47-N332 PolarHBondContact N-O 3.13Å; G330-N332 PolarHBondContact O-N 3.04Å
333	V	98.6	Very high	97.8	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	-177	-178.7	0	0	0	0	109.9	L47 V49 L281 V323 Q327 S331 V335	L47-V333 HydrophobicContact CB-CG2 4.43Å; L47-V333 HydrophobicContact CD2-CG2 4.29Å; L47-V333 WeakPolarHBondContact O-CA 3.19Å; V49-V333 HydrophobicContact CG2-CG1 3.76Å; L281-V333 HydrophobicContact CD2-CB 3.67Å; L281-V333 HydrophobicContact CD2-CG1 4.07Å; L281-V333 HydrophobicContact CD2-CG2 3.6Å; V323-V333 HydrophobicContact CG1-CG1 4.31Å; Q327-V333 WeakPolarHBondContact CG-O 3.45Å; Q327-V333 PolarHBondContact NE2-O 3.16Å; S331-V333 VanDerWaalsContact C-N 3.33Å; V333-V335 HydrophobicContact CG1-CG2 4.05Å
334	N	98.7	Very high	97.8	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.6	175.1	-178.7	62.9	0	0	0	109.3	K43 M46 L47 N48 V49 N324 Q327	K43-N334 HydrophobicContact CB-CB 4.22Å; K43-N334 HydrophobicContact CD-CB 4.11Å; K43-N334 WeakPolarHBondContact CE-OD1 3.5Å; K43-N334 HydrophobicContact CG-CB 4.29Å; M46-N334 HydrophobicContact CB-CB 4.19Å; M46-N334 HydrophobicContact SD-CB 4.16Å; L47-N334 PolarHBondContact O-N 3.3Å; N48-N334 CarbonylContact C-O 3.55Å; N48-N334 WeakPolarHBondContact CA-O 3.3Å; N48-N334 PolarHBondContact OD1-ND2 2.96Å; V49-N334 PolarHBondContact N-O 2.7Å; N324-N334 WeakPolarHBondContact OD1-CA 3.19Å; Q327-N334 PolarHBondContact NE2-OD1 2.77Å
335	V	98.8	Very high	97.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.8	-178.5	-167.2	0	0	0	0	109.1	V49 L51 F280 I320 V323 N324 V333	V49-V335 HydrophobicContact CB-CG1 4.41Å; V49-V335 HydrophobicContact CB-CG2 4.36Å; L51-V335 HydrophobicContact CD1-CG1 3.54Å; L51-V335 HydrophobicContact CD2-CG1 4.2Å; L51-V335 HydrophobicContact CG-CG1 3.68Å; F280-V335 HydrophobicContact CD1-CG2 4.42Å; F280-V335 HydrophobicContact CE1-CG1 4.22Å; F280-V335 HydrophobicContact CE1-CG2 3.54Å; F280-V335 HydrophobicContact CZ-CG1 4.06Å; F280-V335 HydrophobicContact CZ-CG2 4.2Å; I320-V335 HydrophobicContact CG1-CB 4.47Å; I320-V335 HydrophobicContact CG1-CG1 3.92Å; V323-V335 HydrophobicContact CB-CG2 3.91Å; V323-V335 HydrophobicContact CG1-CG2 3.43Å; V323-V335 VanDerWaalsContact CG1-CG2 3.43Å; N324-V335 PolarHBondContact ND2-O 2.95Å; N324-V335 PolarHBondContact OD1-N 2.71Å; V333-V335 HydrophobicContact CG1-CG2 4.05Å
336	L	98.8	Very high	97.7	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.073	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.8	-178.4	60	153.5	0	0	0	111.3	H40 T42 N48 V49 L51	H40-L336 HydrophobicContact CB-CD1 3.86Å; T42-L336 HydrophobicContact CG2-CD1 4.37Å; N48-L336 HydrophobicContact CB-CD2 4.35Å; V49-L336 WeakPolarHBondContact O-CD2 3.43Å; V49-L336 PolarHBondContact O-N 3.35Å; V49-L336 VanDerWaalsContact O-N 3.11Å; L51-L336 WeakPolarHBondContact CB-O 3.24Å; L51-L336 PolarHBondContact N-O 2.97Å
337	Y	98.9	Very high	97.7	Very high	8 Å²	8	24.2 Å²	24.2	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.6	159.5	-76.4	-63	0	0	0	109.9	H40 P53 D97 R98 Y313 L316 D317 I320	H40-Y337 PolarHBondContact ND1-O 2.86Å; P53-Y337 HydrophobicContact CG-CD1 3.96Å; P53-Y337 HydrophobicContact CG-CE1 4.01Å; D97-Y337 HydrophobicContact CB-CD2 4.45Å; D97-Y337 VanDerWaalsContact O-CB 3.23Å; D97-Y337 WeakPolarHBondContact O-CB 3.27Å; D97-Y337 WeakPolarHBondContact O-CD2 3.18Å; R98-Y337 HydrophobicContact CG-CD2 4.46Å; R98-Y337 HydrophobicContact CG-CE2 3.88Å; Y313-Y337 HydrophobicContact CD1-CE1 4.11Å; Y313-Y337 AromaticContact CD1-CZ 3.91Å; Y313-Y337 WeakPolarHBondContact CD1-OH 3.41Å; Y313-Y337 AromaticContact CE1-CE1 3.96Å; Y313-Y337 HydrophobicContact CE1-CE1 3.96Å; L316-Y337 HydrophobicContact CB-CE1 3.92Å; L316-Y337 WeakPolarHBondContact CB-OH 3.44Å; L316-Y337 HydrophobicContact CD1-CE1 3.97Å; D317-Y337 PolarHBondContact N-OH 2.9Å; D317-Y337 WeakPolarHBondContact OD1-CE2 3.22Å; D317-Y337 PolarHBondContact OD1-OH 3.04Å; D317-Y337 VanDerWaalsContact OD1-OH 3.07Å; I320-Y337 HydrophobicContact CD1-CD1 4.15Å; I320-Y337 HydrophobicContact CD1-CD2 3.52Å; I320-Y337 HydrophobicContact CD1-CE1 4.08Å; I320-Y337 HydrophobicContact CD1-CE2 3.44Å; I320-Y337 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y337 HydrophobicContact CD1-CG 3.87Å
338	S	98.6	Very high	97.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	17%	0.167	C	C	.	.			trans	-150.3	174.5	-176.7	-169.1	0	0	0	0	111.3	H50 L51 C342	H50-S338 WeakPolarHBondContact ND1-CB 3.41Å; H50-S338 PolarHBondContact ND1-OG 3.02Å; L51-S338 PolarHBondContact O-N 2.92Å; S338-C342 WeakPolarHBondContact OG-CB 3.42Å
339	T	98.7	Very high	97.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.156	C	C	.	.			trans	-123.4	166.5	165.6	69.7	0	0	0	0	109.4	R99 I101 E133 S341 C342 Y343	R99-T339 HydrophobicContact CB-CG2 4.25Å; R99-T339 HydrophobicContact CG-CG2 4.46Å; I101-T339 HydrophobicContact CG2-CG2 4Å; E133-T339 HydrophobicContact CB-CG2 4.01Å; E133-T339 WeakPolarHBondContact OE2-CB 3.36Å; E133-T339 VanDerWaalsContact OE2-CG2 3.27Å; E133-T339 WeakPolarHBondContact OE2-CG2 3.39Å; E133-T339 PolarHBondContact OE2-OG1 3.24Å; T339-S341 PolarHBondContact O-N 3.26Å; T339-C342 PolarHBondContact O-N 2.76Å; T339-C342 PolarHBondContact OG1-N 3.47Å; T339-C342 PolarHBondContact OG1-SG 2.81Å; T339-Y343 PolarHBondContact O-N 2.9Å
340	P	98.3	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-33.7	173	-24.8	36.8	0	0	0	112.6	V52 I101 V135 V175 W177 Y343 L344	V52-P340 HydrophobicContact CG1-CG 4.01Å; I101-P340 HydrophobicContact CD1-CG 3.74Å; I101-P340 HydrophobicContact CG2-CG 4.44Å; V135-P340 HydrophobicContact CG1-CG 4.23Å; V175-P340 HydrophobicContact CB-CB 4.21Å; V175-P340 HydrophobicContact CG1-CB 3.84Å; V175-P340 HydrophobicContact CG2-CB 4.17Å; W177-P340 HydrophobicContact CD2-CG 4.44Å; W177-P340 HydrophobicContact CE3-CB 3.94Å; W177-P340 HydrophobicContact CE3-CG 3.63Å; W177-P340 HydrophobicContact CH2-CG 3.92Å; W177-P340 HydrophobicContact CZ3-CB 3.67Å; W177-P340 HydrophobicContact CZ3-CG 3.34Å; P340-Y343 PolarHBondContact O-N 2.92Å; P340-L344 VanDerWaalsContact O-CB 3.31Å; P340-L344 WeakPolarHBondContact O-CB 3.46Å; P340-L344 PolarHBondContact O-N 3.43Å
341	S	98.4	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-43.2	175.6	-61.3	0	0	0	0	111.7	Y36 E133 T339 L344 Q345	Y36-S341 VanDerWaalsContact CE1-O 3.32Å; Y36-S341 WeakPolarHBondContact CE1-O 3.46Å; E133-S341 WeakPolarHBondContact OE1-CB 3.36Å; E133-S341 PolarHBondContact OE1-OG 2.98Å; T339-S341 PolarHBondContact O-N 3.26Å; S341-L344 PolarHBondContact O-N 3.11Å; S341-Q345 PolarHBondContact O-N 2.86Å
342	C	98.6	Very high	97.8	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-37.8	176.2	-65.3	0	0	0	0	112.5	C39 S338 T339 Q345 E346	C39-C342 WeakPolarHBondContact CA-SG 3.49Å; C39-C342 HydrophobicContact CB-CB 3.71Å; C39-C342 WeakPolarHBondContact CB-SG 2.81Å; C39-C342 WeakPolarHBondContact SG-CA 3.49Å; C39-C342 WeakPolarHBondContact SG-CB 3.32Å; C39-C342 CovalentContact SG-SG 2.04Å; C39-C342 PolarHBondContact SG-SG 3.25Å; S338-C342 WeakPolarHBondContact OG-CB 3.42Å; T339-C342 PolarHBondContact O-N 2.76Å; T339-C342 PolarHBondContact OG1-N 3.47Å; T339-C342 PolarHBondContact OG1-SG 2.81Å; C342-Q345 PolarHBondContact O-N 2.93Å; C342-E346 PolarHBondContact O-N 3.01Å
343	Y	98.6	Very high	97.7	Very high	1 Å²	1	28 Å²	28	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-49.5	172.2	178.2	-119.5	0	0	0	111.5	H50 F201 E220 H295 I297 T339 P340 Q345 E346 L347	H50-Y343 HydrophobicContact CB-CD2 4.44Å; H50-Y343 AromaticContact CD2-CD2 3.77Å; F201-Y343 AromaticContact CE1-CD1 3.74Å; F201-Y343 HydrophobicContact CE1-CD1 3.74Å; F201-Y343 AromaticContact CE1-CE1 3.75Å; F201-Y343 HydrophobicContact CE1-CE1 3.75Å; F201-Y343 AromaticContact CZ-CD1 3.82Å; F201-Y343 HydrophobicContact CZ-CD1 3.82Å; F201-Y343 HydrophobicContact CZ-CE1 4.18Å; E220-Y343 PolarHBondContact OE1-OH 3.41Å; H295-Y343 HydrophobicContact CB-CD2 4.21Å; H295-Y343 HydrophobicContact CB-CE2 3.82Å; H295-Y343 PolarHBondContact O-OH 3.35Å; I297-Y343 HydrophobicContact CB-CD1 3.79Å; I297-Y343 HydrophobicContact CB-CD2 4.16Å; I297-Y343 HydrophobicContact CB-CE1 3.84Å; I297-Y343 HydrophobicContact CB-CE2 4.21Å; I297-Y343 HydrophobicContact CB-CG 3.94Å; I297-Y343 HydrophobicContact CD1-CD1 3.98Å; I297-Y343 HydrophobicContact CD1-CG 4.32Å; I297-Y343 HydrophobicContact CG1-CD1 4.42Å; I297-Y343 HydrophobicContact CG2-CD1 4Å; I297-Y343 HydrophobicContact CG2-CE1 3.63Å; T339-Y343 PolarHBondContact O-N 2.9Å; P340-Y343 PolarHBondContact O-N 2.92Å; Y343-Q345 VanDerWaalsContact C-N 3.27Å; Y343-Q345 PolarHBondContact O-N 2.82Å; Y343-E346 PolarHBondContact O-N 3.48Å; Y343-E346 VanDerWaalsContact O-N 3.12Å; Y343-L347 HydrophobicContact CD1-CD1 4.05Å; Y343-L347 HydrophobicContact CE1-CD1 3.59Å; Y343-L347 HydrophobicContact CE1-CG 4.27Å; Y343-L347 HydrophobicContact CE2-CD2 4.07Å; Y343-L347 HydrophobicContact CE2-CG 4.35Å; Y343-L347 WeakPolarHBondContact O-CG 3.48Å; Y343-L347 PolarHBondContact O-N 3.3Å
344	L	98.5	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-38.1	178.1	-178.2	68	0	0	0	112.7	V175 D198 F201 F237 P340 S341 E346 L347 H348 W951	V175-L344 HydrophobicContact CG2-CB 4.44Å; V175-L344 HydrophobicContact CG2-CD2 3.84Å; D198-L344 HydrophobicContact CB-CD2 3.65Å; F201-L344 HydrophobicContact CE2-CB 4.28Å; F201-L344 HydrophobicContact CE2-CD1 4.21Å; F201-L344 HydrophobicContact CZ-CB 4.36Å; F201-L344 HydrophobicContact CZ-CD1 4.2Å; F237-L344 HydrophobicContact CB-CD1 4.24Å; F237-L344 HydrophobicContact CD1-CD1 3.27Å; F237-L344 HydrophobicContact CE1-CD1 3.82Å; F237-L344 HydrophobicContact CG-CD1 3.89Å; P340-L344 VanDerWaalsContact O-CB 3.31Å; P340-L344 WeakPolarHBondContact O-CB 3.46Å; P340-L344 PolarHBondContact O-N 3.43Å; S341-L344 PolarHBondContact O-N 3.11Å; L344-E346 VanDerWaalsContact C-N 3.35Å; L344-E346 PolarHBondContact O-N 3.32Å; L344-L347 PolarHBondContact O-N 2.93Å; L344-H348 PolarHBondContact O-N 3.44Å; L344-W951 HydrophobicContact CD1-CH2 3.79Å; L344-W951 HydrophobicContact CD1-CZ2 3.52Å; L344-W951 HydrophobicContact CG-CH2 4.46Å; L344-W951 HydrophobicContact CG-CZ2 4.07Å
345	Q	98.2	Very high	97.4	Very high	27 Å²	27	28 Å²	28	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-44.7	176.4	-179.4	-179.2	31.6	0	0	111.8	Y36 C39 S341 C342 Y343 L347 H348 Q349	Y36-Q345 HydrophobicContact CD1-CB 3.77Å; Y36-Q345 HydrophobicContact CD1-CG 4.2Å; Y36-Q345 HydrophobicContact CE1-CB 4.05Å; Y36-Q345 PolarHBondContact O-NE2 3.27Å; Y36-Q345 PolarHBondContact O-OE1 3.48Å; C39-Q345 PolarHBondContact SG-OE1 3.2Å; S341-Q345 PolarHBondContact O-N 2.86Å; C342-Q345 PolarHBondContact O-N 2.93Å; Y343-Q345 VanDerWaalsContact C-N 3.27Å; Y343-Q345 PolarHBondContact O-N 2.82Å; Q345-L347 VanDerWaalsContact C-N 3.32Å; Q345-L347 PolarHBondContact O-N 2.93Å; Q345-H348 PolarHBondContact O-N 3.01Å; Q345-Q349 HydrophobicContact CG-CG 4.48Å; Q345-Q349 WeakPolarHBondContact O-CG 3.44Å; Q345-Q349 PolarHBondContact O-N 3.03Å
346	E	98.2	Very high	97.2	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.089	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-36.4	178.7	-60	-64.7	123	0	0	111.3	T42 H295 C342 Y343 L344 H348 Q349 A350	T42-E346 HydrophobicContact CG2-CG 3.98Å; T42-E346 WeakPolarHBondContact CG2-OE2 3.34Å; T42-E346 PolarHBondContact OG1-OE2 2.68Å; H295-E346 HydrophobicContact CB-CB 4.49Å; H295-E346 IonicContact CE1-OE2 2.92Å; H295-E346 PolarHBondContact CE1-OE2 2.86Å; H295-E346 WeakPolarHBondContact ND1-CB 3.5Å; H295-E346 IonicContact ND1-OE2 2.99Å; H295-E346 IonicContact NE2-OE2 3.2Å; C342-E346 PolarHBondContact O-N 3.01Å; Y343-E346 PolarHBondContact O-N 3.48Å; Y343-E346 VanDerWaalsContact O-N 3.12Å; L344-E346 VanDerWaalsContact C-N 3.35Å; L344-E346 PolarHBondContact O-N 3.32Å; E346-H348 VanDerWaalsContact C-N 3.32Å; E346-H348 PolarHBondContact O-N 3.43Å; E346-Q349 PolarHBondContact O-N 3.37Å; E346-A350 PolarHBondContact O-N 2.92Å
347	L	97.9	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-38	173.9	-59	-177.7	0	0	0	112.4	E220 F237 T293 Y343 L344 Q345 W354 W951	E220-L347 HydrophobicContact CG-CD1 4.44Å; E220-L347 WeakPolarHBondContact OE1-CD1 3.16Å; E220-L347 VanDerWaalsContact OE1-CD2 3.3Å; E220-L347 WeakPolarHBondContact OE1-CD2 3.22Å; F237-L347 HydrophobicContact CE1-CD1 3.55Å; F237-L347 HydrophobicContact CZ-CB 4.38Å; F237-L347 HydrophobicContact CZ-CD1 3.49Å; F237-L347 VanDerWaalsContact CZ-CD1 3.49Å; T293-L347 HydrophobicContact CG2-CD2 3.73Å; Y343-L347 HydrophobicContact CD1-CD1 4.05Å; Y343-L347 HydrophobicContact CE1-CD1 3.59Å; Y343-L347 HydrophobicContact CE1-CG 4.27Å; Y343-L347 HydrophobicContact CE2-CD2 4.07Å; Y343-L347 HydrophobicContact CE2-CG 4.35Å; Y343-L347 WeakPolarHBondContact O-CG 3.48Å; Y343-L347 PolarHBondContact O-N 3.3Å; L344-L347 PolarHBondContact O-N 2.93Å; Q345-L347 VanDerWaalsContact C-N 3.32Å; Q345-L347 PolarHBondContact O-N 2.93Å; L347-W354 HydrophobicContact CB-CH2 4.42Å; L347-W354 HydrophobicContact CB-CZ2 4.16Å; L347-W354 HydrophobicContact CD2-CH2 4.27Å; L347-W951 HydrophobicContact CB-CH2 4.06Å; L347-W951 HydrophobicContact CB-CZ3 4.31Å
348	H	97.5	Very high	96.9	Very high	61 Å²	61	32.6 Å²	32.6	28%	0.282	18%	0.177	S	C	.	.	H	α-helix	trans	-68.4	-43.9	174.3	178.1	-101.4	0	0	0	111.2	L344 Q345 E346 A350 N351 Y949 D950 W951	L344-H348 PolarHBondContact O-N 3.44Å; Q345-H348 PolarHBondContact O-N 3.01Å; E346-H348 VanDerWaalsContact C-N 3.32Å; E346-H348 PolarHBondContact O-N 3.43Å; H348-A350 PolarHBondContact O-N 3.39Å; H348-N351 PolarHBondContact O-N 3.32Å; H348-N351 VanDerWaalsContact O-N 3.11Å; H348-Y949 HydrophobicContact CB-CD2 3.87Å; H348-Y949 HydrophobicContact CB-CE2 4.04Å; H348-Y949 HydrophobicContact CB-CG 4.31Å; H348-Y949 AromaticContact CD2-CG 3.71Å; H348-Y949 AromaticContact CE1-CD1 3.74Å; H348-Y949 AromaticContact CG-CD2 3.86Å; H348-Y949 AromaticContact CG-CG 3.79Å; H348-Y949 AromaticContact ND1-CD1 3.84Å; H348-Y949 AromaticContact ND1-CE1 3.92Å; H348-Y949 AromaticContact NE2-CD1 3.87Å; H348-Y949 AromaticContact NE2-CG 3.94Å; H348-D950 PolarHBondContact CD2-O 3.32Å; H348-D950 PolarHBondContact NE2-O 3.43Å; H348-W951 VanDerWaalsContact CA-CH2 3.5Å; H348-W951 HydrophobicContact CB-CH2 3.52Å; H348-W951 HydrophobicContact CB-CZ2 3.91Å; H348-W951 HydrophobicContact CB-CZ3 3.99Å
349	Q	96.9	Very high	96.7	Very high	114 Å²	114	34 Å²	34	53%	0.533	19%	0.185	S	C	.	.	H	α-helix	trans	-65.9	-25.2	178.1	-72	-179.6	20.4	0	0	113.5	Q345 E346 N351	Q345-Q349 HydrophobicContact CG-CG 4.48Å; Q345-Q349 WeakPolarHBondContact O-CG 3.44Å; Q345-Q349 PolarHBondContact O-N 3.03Å; E346-Q349 PolarHBondContact O-N 3.37Å; Q349-N351 PolarHBondContact O-N 3.45Å; Q349-N351 VanDerWaalsContact O-N 3.14Å
350	A	95.7	Very high	96.6	Very high	38 Å²	38	34.2 Å²	34.2	31%	0.314	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	173.5	0	0	0	0	0	112.9	T293 E346 H348 L352	T293-A350 HydrophobicContact CG2-CB 3.94Å; E346-A350 PolarHBondContact O-N 2.92Å; H348-A350 PolarHBondContact O-N 3.39Å; A350-L352 HydrophobicContact CB-CD1 4.31Å; A350-L352 HydrophobicContact CB-CG 4.03Å; A350-L352 PolarHBondContact O-N 3.23Å
351	N	93.6	Very high	96.6	Very high	139 Å²	139	34.7 Å²	34.7	74%	0.743	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.5	175.6	-165.8	30.7	0	0	0	112.8	H348 Q349	H348-N351 PolarHBondContact O-N 3.32Å; H348-N351 VanDerWaalsContact O-N 3.11Å; Q349-N351 PolarHBondContact O-N 3.45Å; Q349-N351 VanDerWaalsContact O-N 3.14Å
352	L	95.6	Very high	96.6	Very high	71 Å²	71	35.1 Å²	35.1	37%	0.372	19%	0.19	S	C	.	.			trans	-95.3	166.4	178	-61.3	-176.4	0	0	0	111.5	K292 T293 A350 W354	K292-L352 HydrophobicContact CB-CD1 4.37Å; T293-L352 HydrophobicContact CG2-CD1 3.85Å; A350-L352 HydrophobicContact CB-CD1 4.31Å; A350-L352 HydrophobicContact CB-CG 4.03Å; A350-L352 PolarHBondContact O-N 3.23Å; L352-W354 HydrophobicContact CB-CZ2 4.29Å; L352-W354 PolarHBondContact O-NE1 3.45Å
353	T	95.2	Very high	96.6	Very high	72 Å²	72	34.9 Å²	34.9	44%	0.442	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.7	168.3	56.1	0	0	0	0	111.6	K292 S952	K292-T353 PolarHBondContact NZ-O 2.95Å; T353-S952 CarbonylContact C-O 3.57Å; T353-S952 VanDerWaalsContact CA-O 3.28Å; T353-S952 WeakPolarHBondContact CA-O 3.46Å
354	W	96.1	Very high	96.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.4	-175.2	-56.1	99.3	0	0	0	112.2	E220 L222 F237 K292 T293 L347 L352 W951 S952 P953 E954	E220-W354 HydrophobicContact CB-CE3 3.67Å; E220-W354 HydrophobicContact CB-CH2 4.2Å; E220-W354 HydrophobicContact CB-CZ3 3.31Å; E220-W354 HydrophobicContact CG-CZ3 4.19Å; E220-W354 VanDerWaalsContact OE2-CZ3 3.31Å; E220-W354 WeakPolarHBondContact OE2-CZ3 3.18Å; L222-W354 HydrophobicContact CB-CB 4.34Å; F237-W354 HydrophobicContact CD2-CD2 4.41Å; F237-W354 HydrophobicContact CD2-CG 4.37Å; F237-W354 AromaticContact CE2-CD2 3.58Å; F237-W354 HydrophobicContact CE2-CD2 3.58Å; F237-W354 AromaticContact CE2-CE2 3.59Å; F237-W354 AromaticContact CE2-CE3 3.92Å; F237-W354 HydrophobicContact CE2-CE3 3.92Å; F237-W354 AromaticContact CE2-CG 3.96Å; F237-W354 HydrophobicContact CE2-CG 3.96Å; F237-W354 HydrophobicContact CE2-CH2 4.22Å; F237-W354 AromaticContact CE2-CZ2 3.92Å; F237-W354 HydrophobicContact CE2-CZ2 3.92Å; F237-W354 HydrophobicContact CE2-CZ3 4.24Å; F237-W354 AromaticContact CE2-NE1 3.98Å; F237-W354 HydrophobicContact CZ-CD2 4.47Å; F237-W354 HydrophobicContact CZ-CE3 4.43Å; F237-W354 HydrophobicContact CZ-CH2 4.32Å; F237-W354 HydrophobicContact CZ-CZ2 4.36Å; F237-W354 HydrophobicContact CZ-CZ3 4.37Å; K292-W354 HydrophobicContact CB-CZ3 4.32Å; K292-W354 HydrophobicContact CD-CE3 4.15Å; K292-W354 HydrophobicContact CD-CZ3 3.94Å; K292-W354 HydrophobicContact CG-CZ3 4.48Å; T293-W354 HydrophobicContact CG2-CH2 4.02Å; L347-W354 HydrophobicContact CB-CH2 4.42Å; L347-W354 HydrophobicContact CB-CZ2 4.16Å; L347-W354 HydrophobicContact CD2-CH2 4.27Å; L352-W354 HydrophobicContact CB-CZ2 4.29Å; L352-W354 PolarHBondContact O-NE1 3.45Å; W354-W951 AromaticContact CD1-CE3 3.72Å; W354-W951 HydrophobicContact CZ2-CZ3 4.3Å; W354-W951 AromaticContact NE1-CE3 3.37Å; W354-W951 AromaticContact NE1-CZ3 3.52Å; W354-S952 PolarHBondContact N-O 3.2Å; W354-P953 CarbonylContact O-C 3.59Å; W354-P953 WeakPolarHBondContact O-CA 3.5Å; W354-E954 PolarHBondContact O-N 2.9Å
355	P	95.5	Very high	96.6	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.058	19%	0.19	C	C	.	.			trans	-61.7	143	175.9	27.6	-35.4	0	0	0	109.7	E218 E220 L221 L222	E218-P355 HydrophobicContact CB-CG 4.08Å; E218-P355 HydrophobicContact CG-CB 4.32Å; E218-P355 HydrophobicContact CG-CG 3.99Å; E220-P355 WeakPolarHBondContact O-CD 3.43Å; E220-P355 WeakPolarHBondContact O-CG 3.37Å; L221-P355 WeakPolarHBondContact CA-O 3.31Å; L221-P355 HydrophobicContact CB-CG 3.79Å; L221-P355 WeakPolarHBondContact CB-O 3.29Å; L222-P355 PolarHBondContact N-O 2.85Å
356	L	94.4	Very high	96.6	Very high	52 Å²	52	36.6 Å²	36.6	27%	0.272	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131	-178.2	-172.7	69.3	0	0	0	110.7	L222 R224 T358 P953	L222-L356 HydrophobicContact CB-CD1 4.37Å; L222-L356 HydrophobicContact CD2-CD1 4.38Å; L222-L356 HydrophobicContact CG-CD1 4.31Å; L222-L356 WeakPolarHBondContact O-CA 3.3Å; R224-L356 HydrophobicContact CB-CD1 3.94Å; L356-T358 HydrophobicContact CD2-CG2 4.27Å; L356-T358 HydrophobicContact CG-CG2 4.26Å; L356-P953 HydrophobicContact CD1-CB 4.43Å
357	K	95.1	Very high	96.5	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142	168.1	-173.8	174.5	166.8	68.2	0	110.1	L221 L222 R224 D359 D360 F361	L221-K357 HydrophobicContact CD1-CB 3.89Å; L222-K357 PolarHBondContact O-N 3Å; R224-K357 PolarHBondContact N-O 3.01Å; K357-D359 WeakPolarHBondContact CE-OD1 3.29Å; K357-D359 VanDerWaalsContact CG-OD1 3.25Å; K357-D359 WeakPolarHBondContact CG-OD1 3.47Å; K357-D359 IonicContact NZ-OD1 2.81Å; K357-D359 PolarHBondContact NZ-OD1 2.94Å; K357-D359 IonicContact NZ-OD2 3.6Å; K357-D359 PolarHBondContact NZ-OD2 2.94Å; K357-D360 VanDerWaalsContact CE-O 3.22Å; K357-D360 WeakPolarHBondContact CE-O 3.32Å; K357-D360 PolarHBondContact NZ-O 3.33Å; K357-F361 HydrophobicContact CD-CD1 4.27Å; K357-F361 HydrophobicContact CD-CD2 4.41Å; K357-F361 HydrophobicContact CD-CE1 3.56Å; K357-F361 HydrophobicContact CD-CE2 3.67Å; K357-F361 HydrophobicContact CD-CZ 3.22Å; K357-F361 VanDerWaalsContact CE-CE2 3.46Å
358	T	94.9	Very high	96.4	Very high	63 Å²	63	39.1 Å²	39.1	39%	0.387	22%	0.219	S	C	.	.			trans	-129.4	-15.2	-174.5	59.4	0	0	0	0	114.4	R186 R224 L356	R186-T358 WeakPolarHBondContact CD-O 3.48Å; R186-T358 PolarHBondContact NH1-O 3.05Å; R224-T358 HydrophobicContact CB-CG2 4.25Å; L356-T358 HydrophobicContact CD2-CG2 4.27Å; L356-T358 HydrophobicContact CG-CG2 4.26Å
359	D	94.2	Very high	96.3	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.171	21%	0.211	C	C	.	.	S	Bend	trans	-96.1	-161.4	175.4	64.2	-38.9	0	0	0	110.8	W223 K357 P745	W223-D359 PolarHBondContact NE1-O 2.81Å; K357-D359 WeakPolarHBondContact CE-OD1 3.29Å; K357-D359 VanDerWaalsContact CG-OD1 3.25Å; K357-D359 WeakPolarHBondContact CG-OD1 3.47Å; K357-D359 IonicContact NZ-OD1 2.81Å; K357-D359 PolarHBondContact NZ-OD1 2.94Å; K357-D359 IonicContact NZ-OD2 3.6Å; K357-D359 PolarHBondContact NZ-OD2 2.94Å; D359-P745 HydrophobicContact CB-CG 4.32Å; D359-P745 WeakPolarHBondContact OD2-CG 3.22Å
360	D	97.8	Very high	96.3	Very high	5 Å²	5	32 Å²	32	3%	0.027	19%	0.186	C	C	.	.			trans	-108.8	-178.7	177.4	65.7	5.9	0	0	0	112.8	R186 K357 F362 L737 R739	R186-D360 HydrophobicContact CB-CB 4.09Å; K357-D360 VanDerWaalsContact CE-O 3.22Å; K357-D360 WeakPolarHBondContact CE-O 3.32Å; K357-D360 PolarHBondContact NZ-O 3.33Å; D360-F362 HydrophobicContact CB-CD2 4.42Å; D360-F362 PolarHBondContact OD1-N 2.84Å; D360-L737 HydrophobicContact CB-CD1 4.38Å; D360-L737 WeakPolarHBondContact OD2-CD1 3.49Å; D360-R739 IonicContact OD1-CZ 3.38Å; D360-R739 IonicContact OD1-NH1 3.53Å; D360-R739 PolarHBondContact OD1-NH1 2.81Å; D360-R739 IonicContact OD2-CZ 2.75Å; D360-R739 VanDerWaalsContact OD2-CZ 3.25Å; D360-R739 IonicContact OD2-NH1 3.42Å; D360-R739 PolarHBondContact OD2-NH1 2.86Å; D360-R739 IonicContact OD2-NH2 2.82Å; D360-R739 PolarHBondContact OD2-NH2 3.25Å
361	F	98.4	Very high	96.5	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.039	17%	0.171	C	C	.	.			trans	-105.9	36	176.5	-65.1	-82.9	0	0	0	111.8	H184 F202 L205 L221 W223 K357	H184-F361 HydrophobicContact CB-CB 4.06Å; H184-F361 HydrophobicContact CB-CD2 3.96Å; H184-F361 HydrophobicContact CB-CG 4.41Å; H184-F361 PolarHBondContact O-N 2.89Å; F202-F361 HydrophobicContact CE1-CD2 4.04Å; F202-F361 AromaticContact CE1-CE2 3.69Å; F202-F361 HydrophobicContact CE1-CE2 3.69Å; F202-F361 HydrophobicContact CE1-CZ 4.06Å; F202-F361 HydrophobicContact CZ-CD1 4.14Å; F202-F361 AromaticContact CZ-CD2 3.82Å; F202-F361 HydrophobicContact CZ-CD2 3.82Å; F202-F361 AromaticContact CZ-CE1 3.89Å; F202-F361 HydrophobicContact CZ-CE1 3.89Å; F202-F361 AromaticContact CZ-CE2 3.59Å; F202-F361 HydrophobicContact CZ-CE2 3.59Å; F202-F361 HydrophobicContact CZ-CG 4.06Å; F202-F361 AromaticContact CZ-CZ 3.59Å; F202-F361 HydrophobicContact CZ-CZ 3.59Å; L205-F361 HydrophobicContact CD1-CB 4.3Å; L205-F361 HydrophobicContact CD1-CD1 3.3Å; L205-F361 HydrophobicContact CD1-CE1 3.91Å; L205-F361 HydrophobicContact CD1-CG 4.18Å; L221-F361 HydrophobicContact CD2-CZ 4.09Å; W223-F361 HydrophobicContact CD2-CE2 4.07Å; W223-F361 HydrophobicContact CE3-CD2 4.38Å; W223-F361 AromaticContact CE3-CE2 3.75Å; W223-F361 HydrophobicContact CE3-CE2 3.75Å; W223-F361 AromaticContact CH2-CD2 3.47Å; W223-F361 HydrophobicContact CH2-CD2 3.47Å; W223-F361 VanDerWaalsContact CH2-CD2 3.47Å; W223-F361 AromaticContact CH2-CE2 3.7Å; W223-F361 HydrophobicContact CH2-CE2 3.7Å; W223-F361 AromaticContact CZ2-CD2 3.85Å; W223-F361 HydrophobicContact CZ2-CD2 3.85Å; W223-F361 AromaticContact CZ2-CE2 3.98Å; W223-F361 HydrophobicContact CZ2-CE2 3.98Å; W223-F361 AromaticContact CZ3-CD2 3.74Å; W223-F361 HydrophobicContact CZ3-CD2 3.74Å; W223-F361 AromaticContact CZ3-CE2 3.54Å; W223-F361 HydrophobicContact CZ3-CE2 3.54Å; K357-F361 HydrophobicContact CD-CD1 4.27Å; K357-F361 HydrophobicContact CD-CD2 4.41Å; K357-F361 HydrophobicContact CD-CE1 3.56Å; K357-F361 HydrophobicContact CD-CE2 3.67Å; K357-F361 HydrophobicContact CD-CZ 3.22Å; K357-F361 VanDerWaalsContact CE-CE2 3.46Å
362	F	98.6	Very high	96.7	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.039	14%	0.137	C	C	.	.			trans	-109.6	154	175.4	-72.4	-56.7	0	0	0	113.1	E144 A145 G183 A185 D360 F376 Y760 P761	E144-F362 HydrophobicContact CB-CZ 4.18Å; A145-F362 HydrophobicContact CB-CE1 3.86Å; A145-F362 HydrophobicContact CB-CE2 4.37Å; A145-F362 HydrophobicContact CB-CZ 3.62Å; G183-F362 VanDerWaalsContact C-CE1 3.4Å; A185-F362 HydrophobicContact CB-CE2 3.88Å; D360-F362 HydrophobicContact CB-CD2 4.42Å; D360-F362 PolarHBondContact OD1-N 2.84Å; F362-F376 HydrophobicContact CD1-CZ 4.26Å; F362-F376 HydrophobicContact CE1-CE1 4.46Å; F362-Y760 HydrophobicContact CB-CD1 4.15Å; F362-Y760 HydrophobicContact CB-CE1 4.36Å; F362-Y760 WeakPolarHBondContact O-CE1 3.43Å; F362-P761 HydrophobicContact CD2-CG 4.24Å; F362-P761 HydrophobicContact CE2-CG 4.31Å
363	P	98.4	Very high	96.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.119	C	C	.	.	S	Bend	cis	-74.2	155.3	-17.1	32.1	-35.9	0	0	0	111.9	F371 T373 R744	P363-F371 HydrophobicContact CB-CD1 4.37Å; P363-F371 HydrophobicContact CG-CD1 4.04Å; P363-F371 HydrophobicContact CG-CE1 4.21Å; P363-T373 HydrophobicContact CB-CG2 3.32Å; P363-T373 HydrophobicContact CG-CG2 4.22Å; P363-R744 VanDerWaalsContact CG-NH2 3.27Å
364	Y	98.6	Very high	97	Very high	13 Å²	13	17 Å²	17	5%	0.051	10%	0.098	C	C	.	.			trans	-84.3	140.6	173.6	166.5	-124.1	0	0	0	111.7	F182 R204 L205 D366 W372	F182-Y364 HydrophobicContact CB-CD1 3.98Å; F182-Y364 HydrophobicContact CB-CE1 4.49Å; F182-Y364 VanDerWaalsContact O-CB 3.29Å; F182-Y364 WeakPolarHBondContact O-CB 3.33Å; R204-Y364 HydrophobicContact CB-CD2 4.32Å; R204-Y364 HydrophobicContact CB-CE1 4.24Å; R204-Y364 HydrophobicContact CB-CE2 3.94Å; R204-Y364 HydrophobicContact CG-CE1 4.44Å; R204-Y364 PolarHBondContact NH1-OH 2.86Å; L205-Y364 VanDerWaalsContact C-CD2 3.44Å; L205-Y364 WeakPolarHBondContact O-CE2 3.39Å; Y364-D366 HydrophobicContact CE2-CB 4.27Å; Y364-D366 WeakPolarHBondContact OH-CB 3.5Å; Y364-W372 HydrophobicContact CD1-CB 3.74Å; Y364-W372 AromaticContact CD1-CD1 3.75Å; Y364-W372 AromaticContact CD1-CD2 3.65Å; Y364-W372 HydrophobicContact CD1-CD2 3.65Å; Y364-W372 HydrophobicContact CD1-CE3 4.13Å; Y364-W372 AromaticContact CD1-CG 3.47Å; Y364-W372 HydrophobicContact CD1-CG 3.47Å; Y364-W372 VanDerWaalsContact CD1-CG 3.47Å; Y364-W372 HydrophobicContact CE1-CB 4.43Å; Y364-W372 AromaticContact CE1-CD1 3.76Å; Y364-W372 AromaticContact CE1-CD2 3.41Å; Y364-W372 HydrophobicContact CE1-CD2 3.41Å; Y364-W372 VanDerWaalsContact CE1-CD2 3.41Å; Y364-W372 AromaticContact CE1-CE2 3.37Å; Y364-W372 AromaticContact CE1-CE3 3.87Å; Y364-W372 HydrophobicContact CE1-CE3 3.87Å; Y364-W372 AromaticContact CE1-CG 3.68Å; Y364-W372 HydrophobicContact CE1-CG 3.68Å; Y364-W372 HydrophobicContact CE1-CH2 4.21Å; Y364-W372 AromaticContact CE1-CZ2 3.77Å; Y364-W372 HydrophobicContact CE1-CZ2 3.77Å; Y364-W372 HydrophobicContact CE1-CZ3 4.26Å; Y364-W372 AromaticContact CE1-NE1 3.64Å; Y364-W372 HydrophobicContact CG-CG 4.5Å; Y364-W372 PolarHBondContact O-N 3.32Å
365	A	98.4	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.3	167.8	0	0	0	0	0	110.4	D206 Y207 S370 F371	D206-A365 CarbonylContact C-O 3.58Å; D206-A365 VanDerWaalsContact CA-O 3.29Å; D206-A365 WeakPolarHBondContact CA-O 3.24Å; Y207-A365 HydrophobicContact CD1-CB 4.32Å; Y207-A365 PolarHBondContact N-O 2.95Å; A365-S370 VanDerWaalsContact CA-O 3.27Å; A365-S370 WeakPolarHBondContact CA-O 3.49Å; A365-S370 WeakPolarHBondContact CB-O 3.4Å; A365-F371 HydrophobicContact CB-CD1 3.71Å; A365-F371 HydrophobicContact CB-CD2 4.15Å; A365-F371 HydrophobicContact CB-CE1 3.75Å; A365-F371 HydrophobicContact CB-CE2 4.22Å; A365-F371 HydrophobicContact CB-CG 3.92Å; A365-F371 HydrophobicContact CB-CZ 4.03Å
366	D	97	Very high	97.3	Very high	52 Å²	52	16.5 Å²	16.5	28%	0.278	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-13.5	175.3	56.2	-7.5	0	0	0	113.4	Y364 S370 W372 R807	Y364-D366 HydrophobicContact CE2-CB 4.27Å; Y364-D366 WeakPolarHBondContact OH-CB 3.5Å; D366-S370 WeakPolarHBondContact OD1-CB 3.18Å; D366-W372 VanDerWaalsContact CG-NE1 3.3Å; D366-W372 PolarHBondContact OD1-NE1 3.17Å; D366-W372 WeakPolarHBondContact OD2-CZ2 3.32Å; D366-W372 PolarHBondContact OD2-NE1 2.95Å; D366-R807 IonicContact OD1-CZ 3.84Å; D366-R807 IonicContact OD1-NE 2.68Å; D366-R807 IonicContact OD1-NH2 3.13Å; D366-R807 PolarHBondContact OD1-NH2 3Å; D366-R807 IonicContact OD2-CZ 3.47Å; D366-R807 IonicContact OD2-NE 3.59Å; D366-R807 PolarHBondContact OD2-NE 3.15Å; D366-R807 IonicContact OD2-NH2 2.79Å; D366-R807 PolarHBondContact OD2-NH2 3.36Å
367	S	96.4	Very high	97.6	Very high	43 Å²	43	14 Å²	14	30%	0.301	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	171.9	172.6	94.2	0	0	0	0	111.4	Y207 H369 S370	Y207-S367 VanDerWaalsContact CE1-C 3.4Å; S367-H369 PolarHBondContact O-N 3.24Å; S367-H369 VanDerWaalsContact O-N 3.13Å; S367-S370 PolarHBondContact O-N 3.41Å; S367-S370 WeakPolarHBondContact OG-CB 3.47Å; S367-S370 PolarHBondContact OG-OG 2.92Å
368	A	95.8	Very high	97.7	Very high	29 Å²	29	13.7 Å²	13.7	24%	0.24	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-39.7	-178.4	0	0	0	0	0	114.5	Y207 T752	Y207-A368 WeakPolarHBondContact OH-CA 3.47Å; A368-T752 HydrophobicContact CB-CG2 3.8Å; A368-T752 WeakPolarHBondContact O-CB 3.42Å; A368-T752 PolarHBondContact O-OG1 2.69Å
369	H	96.3	Very high	97.9	Very high	24 Å²	24	11 Å²	11	11%	0.111	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	19.7	-173.4	-66.5	-74.2	0	0	0	113	S367 E636 S637 Q639 E753	S367-H369 PolarHBondContact O-N 3.24Å; S367-H369 VanDerWaalsContact O-N 3.13Å; H369-E636 IonicContact CE1-OE2 2.82Å; H369-S637 VanDerWaalsContact CD2-CB 3.48Å; H369-S637 WeakPolarHBondContact CD2-CB 3.37Å; H369-Q639 HydrophobicContact CB-CB 4.45Å; H369-Q639 VanDerWaalsContact O-CG 3.3Å; H369-Q639 WeakPolarHBondContact O-CG 3.3Å; H369-E753 IonicContact CE1-OE1 3.31Å; H369-E753 IonicContact CG-OE1 3.7Å; H369-E753 IonicContact ND1-OE1 3.27Å; H369-E753 PolarHBondContact ND1-OE1 3.48Å
370	S	97.1	Very high	98.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.007	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	64.2	-170.7	-56.7	0	0	0	0	110	A365 D366 S367 Q639 R807	A365-S370 VanDerWaalsContact CA-O 3.27Å; A365-S370 WeakPolarHBondContact CA-O 3.49Å; A365-S370 WeakPolarHBondContact CB-O 3.4Å; D366-S370 WeakPolarHBondContact OD1-CB 3.18Å; S367-S370 PolarHBondContact O-N 3.41Å; S367-S370 WeakPolarHBondContact OG-CB 3.47Å; S367-S370 PolarHBondContact OG-OG 2.92Å; S370-Q639 WeakPolarHBondContact OG-CG 3.48Å; S370-Q639 PolarHBondContact OG-OE1 3.4Å; S370-R807 VanDerWaalsContact CB-NH2 3.28Å; S370-R807 PolarHBondContact OG-NH2 3.44Å; S370-R807 VanDerWaalsContact OG-NH2 3.13Å
371	F	98.6	Very high	98.2	Very high	3 Å²	3	11 Å²	11	1%	0.013	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.7	172.5	-81.9	-90.5	0	0	0	110.2	P363 A365 T373 I645 F646 E753 A756	P363-F371 HydrophobicContact CB-CD1 4.37Å; P363-F371 HydrophobicContact CG-CD1 4.04Å; P363-F371 HydrophobicContact CG-CE1 4.21Å; A365-F371 HydrophobicContact CB-CD1 3.71Å; A365-F371 HydrophobicContact CB-CD2 4.15Å; A365-F371 HydrophobicContact CB-CE1 3.75Å; A365-F371 HydrophobicContact CB-CE2 4.22Å; A365-F371 HydrophobicContact CB-CG 3.92Å; A365-F371 HydrophobicContact CB-CZ 4.03Å; F371-T373 HydrophobicContact CB-CG2 4.37Å; F371-T373 PolarHBondContact O-N 2.95Å; F371-I645 WeakPolarHBondContact O-CA 3.3Å; F371-F646 PolarHBondContact O-N 3.09Å; F371-F646 VanDerWaalsContact O-N 3.09Å; F371-E753 HydrophobicContact CD2-CB 3.59Å; F371-E753 HydrophobicContact CD2-CG 3.78Å; F371-E753 HydrophobicContact CE2-CB 3.81Å; F371-E753 HydrophobicContact CE2-CG 4.16Å; F371-A756 HydrophobicContact CB-CB 3.84Å; F371-A756 HydrophobicContact CG-CB 4.44Å
372	W	98.8	Very high	98.2	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.011	7%	0.071	C	C	.	.			trans	-84.2	61.8	-178.3	-65.4	53.1	0	0	0	109.2	F182 Y364 D366 Y375 Y644 I645 R807	F182-W372 HydrophobicContact CB-CB 4.49Å; F182-W372 HydrophobicContact CB-CD2 4.46Å; F182-W372 HydrophobicContact CB-CE3 3.67Å; F182-W372 HydrophobicContact CB-CZ3 4.26Å; F182-W372 AromaticContact CD1-CE3 3.71Å; F182-W372 HydrophobicContact CD1-CE3 3.71Å; F182-W372 HydrophobicContact CD1-CH2 4.41Å; F182-W372 AromaticContact CD1-CZ3 3.38Å; F182-W372 HydrophobicContact CD1-CZ3 3.38Å; F182-W372 HydrophobicContact CD2-CE3 4.13Å; F182-W372 HydrophobicContact CD2-CZ3 4.36Å; F182-W372 HydrophobicContact CE1-CE3 4.46Å; F182-W372 AromaticContact CE1-CZ3 3.81Å; F182-W372 HydrophobicContact CE1-CZ3 3.81Å; F182-W372 AromaticContact CG-CE3 3.54Å; F182-W372 HydrophobicContact CG-CE3 3.54Å; F182-W372 AromaticContact CG-CZ3 3.73Å; F182-W372 HydrophobicContact CG-CZ3 3.73Å; F182-W372 HydrophobicContact CZ-CZ3 4.45Å; Y364-W372 HydrophobicContact CD1-CB 3.74Å; Y364-W372 AromaticContact CD1-CD1 3.75Å; Y364-W372 AromaticContact CD1-CD2 3.65Å; Y364-W372 HydrophobicContact CD1-CD2 3.65Å; Y364-W372 HydrophobicContact CD1-CE3 4.13Å; Y364-W372 AromaticContact CD1-CG 3.47Å; Y364-W372 HydrophobicContact CD1-CG 3.47Å; Y364-W372 VanDerWaalsContact CD1-CG 3.47Å; Y364-W372 HydrophobicContact CE1-CB 4.43Å; Y364-W372 AromaticContact CE1-CD1 3.76Å; Y364-W372 AromaticContact CE1-CD2 3.41Å; Y364-W372 HydrophobicContact CE1-CD2 3.41Å; Y364-W372 VanDerWaalsContact CE1-CD2 3.41Å; Y364-W372 AromaticContact CE1-CE2 3.37Å; Y364-W372 AromaticContact CE1-CE3 3.87Å; Y364-W372 HydrophobicContact CE1-CE3 3.87Å; Y364-W372 AromaticContact CE1-CG 3.68Å; Y364-W372 HydrophobicContact CE1-CG 3.68Å; Y364-W372 HydrophobicContact CE1-CH2 4.21Å; Y364-W372 AromaticContact CE1-CZ2 3.77Å; Y364-W372 HydrophobicContact CE1-CZ2 3.77Å; Y364-W372 HydrophobicContact CE1-CZ3 4.26Å; Y364-W372 AromaticContact CE1-NE1 3.64Å; Y364-W372 HydrophobicContact CG-CG 4.5Å; Y364-W372 PolarHBondContact O-N 3.32Å; D366-W372 VanDerWaalsContact CG-NE1 3.3Å; D366-W372 PolarHBondContact OD1-NE1 3.17Å; D366-W372 WeakPolarHBondContact OD2-CZ2 3.32Å; D366-W372 PolarHBondContact OD2-NE1 2.95Å; W372-Y375 HydrophobicContact CB-CD1 4.42Å; W372-Y375 HydrophobicContact CB-CE1 4.43Å; W372-Y375 WeakPolarHBondContact O-CD1 3.33Å; W372-Y375 WeakPolarHBondContact O-CE1 3.41Å; W372-Y644 CarbonylContact C-O 3.54Å; W372-Y644 AromaticContact CE3-CD1 3.51Å; W372-Y644 HydrophobicContact CE3-CD1 3.51Å; W372-Y644 HydrophobicContact CE3-CE1 4.44Å; W372-Y644 AromaticContact CE3-CG 3.99Å; W372-Y644 HydrophobicContact CE3-CG 3.99Å; W372-Y644 HydrophobicContact CH2-CD1 4.29Å; W372-Y644 AromaticContact CZ3-CD1 3.31Å; W372-Y644 HydrophobicContact CZ3-CD1 3.31Å; W372-Y644 AromaticContact CZ3-CE1 3.85Å; W372-Y644 HydrophobicContact CZ3-CE1 3.85Å; W372-Y644 AromaticContact CZ3-CG 3.96Å; W372-Y644 HydrophobicContact CZ3-CG 3.96Å; W372-I645 HydrophobicContact CG-CG1 4.3Å; W372-R807 HydrophobicContact CH2-CB 4.09Å; W372-R807 HydrophobicContact CH2-CG 3.84Å; W372-R807 HydrophobicContact CZ2-CB 4.4Å; W372-R807 HydrophobicContact CZ2-CG 3.64Å; W372-R807 VanDerWaalsContact CZ2-NE 3.31Å
373	T	98.9	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.			trans	-115.4	-0.7	-179.5	57.2	0	0	0	0	112.7	P363 F371 F376 A756	P363-T373 HydrophobicContact CB-CG2 3.32Å; P363-T373 HydrophobicContact CG-CG2 4.22Å; F371-T373 HydrophobicContact CB-CG2 4.37Å; F371-T373 PolarHBondContact O-N 2.95Å; T373-F376 HydrophobicContact CG2-CD2 4.28Å; T373-F376 HydrophobicContact CG2-CE2 3.5Å; T373-F376 HydrophobicContact CG2-CZ 3.94Å; T373-F376 WeakPolarHBondContact O-CD2 3.47Å; T373-A756 WeakPolarHBondContact CG2-O 3.33Å; T373-A756 PolarHBondContact OG1-O 3Å; T373-A756 VanDerWaalsContact OG1-O 3.06Å
374	G	98.9	Very high	98.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-72.3	-40.1	174.9	0	0	0	0	0	112.4	F376 T377 S378 Y644 R799	G374-F376 PolarHBondContact O-N 3.13Å; G374-F376 VanDerWaalsContact O-N 3.14Å; G374-T377 PolarHBondContact O-N 2.77Å; G374-S378 PolarHBondContact O-N 3.08Å; G374-S378 VanDerWaalsContact O-N 3.09Å; G374-S378 PolarHBondContact O-OG 2.97Å; G374-Y644 WeakPolarHBondContact CA-O 3.1Å; G374-Y644 PolarHBondContact N-O 3.37Å; G374-R799 VanDerWaalsContact C-NH1 3.25Å; G374-R799 WeakPolarHBondContact O-CD 3.44Å; G374-R799 PolarHBondContact O-NH1 3Å
375	Y	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	-179.4	88.1	-88.2	0	0	0	113.9	D143 A145 T146 F182 W372 T377 K383 A643 Y644	D143-Y375 WeakPolarHBondContact OD1-CE2 3.43Å; D143-Y375 PolarHBondContact OD1-OH 2.79Å; D143-Y375 WeakPolarHBondContact OD2-CE2 3.19Å; A145-Y375 HydrophobicContact CB-CE2 3.69Å; A145-Y375 WeakPolarHBondContact CB-OH 3.18Å; T146-Y375 HydrophobicContact CG2-CD2 4.08Å; T146-Y375 HydrophobicContact CG2-CE2 4.07Å; F182-Y375 HydrophobicContact CB-CD1 4.46Å; F182-Y375 HydrophobicContact CB-CE1 3.72Å; F182-Y375 HydrophobicContact CD2-CD1 4.16Å; F182-Y375 HydrophobicContact CD2-CD2 4.17Å; F182-Y375 HydrophobicContact CD2-CE1 4Å; F182-Y375 AromaticContact CD2-CE2 3.98Å; F182-Y375 HydrophobicContact CD2-CE2 3.98Å; F182-Y375 HydrophobicContact CD2-CG 4.21Å; F182-Y375 AromaticContact CD2-CZ 3.87Å; F182-Y375 HydrophobicContact CG-CE1 4.38Å; F182-Y375 PolarHBondContact O-OH 3.35Å; W372-Y375 HydrophobicContact CB-CD1 4.42Å; W372-Y375 HydrophobicContact CB-CE1 4.43Å; W372-Y375 WeakPolarHBondContact O-CD1 3.33Å; W372-Y375 WeakPolarHBondContact O-CE1 3.41Å; Y375-T377 PolarHBondContact O-N 3.09Å; Y375-K383 VanDerWaalsContact O-CE 3.26Å; Y375-K383 WeakPolarHBondContact O-CE 3.49Å; Y375-K383 PolarHBondContact O-NZ 2.96Å; Y375-A643 WeakPolarHBondContact CA-O 3.45Å; Y375-A643 PolarHBondContact N-O 3.13Å; Y375-Y644 PolarHBondContact N-O 3.27Å; Y375-Y644 VanDerWaalsContact N-O 3.13Å
376	F	98.9	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.7	169.9	-57.5	-18.9	0	0	0	111.9	A145 T146 F362 T373 G374 K383 P761 Q783 G784	A145-F376 HydrophobicContact CB-CD1 3.72Å; A145-F376 HydrophobicContact CB-CE1 3.5Å; T146-F376 HydrophobicContact CG2-CD1 4.47Å; F362-F376 HydrophobicContact CD1-CZ 4.26Å; F362-F376 HydrophobicContact CE1-CE1 4.46Å; T373-F376 HydrophobicContact CG2-CD2 4.28Å; T373-F376 HydrophobicContact CG2-CE2 3.5Å; T373-F376 HydrophobicContact CG2-CZ 3.94Å; T373-F376 WeakPolarHBondContact O-CD2 3.47Å; G374-F376 PolarHBondContact O-N 3.13Å; G374-F376 VanDerWaalsContact O-N 3.14Å; F376-K383 VanDerWaalsContact O-CE 3.31Å; F376-K383 WeakPolarHBondContact O-CE 3.45Å; F376-P761 HydrophobicContact CD1-CB 4.21Å; F376-P761 HydrophobicContact CE1-CB 4.42Å; F376-P761 HydrophobicContact CE1-CG 4.42Å; F376-P761 HydrophobicContact CG-CB 4.31Å; F376-P761 HydrophobicContact CZ-CG 4.44Å; F376-Q783 CarbonylContact O-C 3.6Å; F376-Q783 VanDerWaalsContact O-C 3.3Å; F376-Q783 WeakPolarHBondContact O-CA 3.06Å; F376-Q783 PolarHBondContact O-N 3.23Å; F376-G784 VanDerWaalsContact CB-CA 3.48Å; F376-G784 PolarHBondContact O-N 3.2Å
377	T	98.9	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-17.4	-179.9	-52	0	0	0	0	114.5	G374 Y375 R379 P380 G784 M796 R799	G374-T377 PolarHBondContact O-N 2.77Å; Y375-T377 PolarHBondContact O-N 3.09Å; T377-R379 PolarHBondContact O-N 2.82Å; T377-P380 VanDerWaalsContact O-CD 3.24Å; T377-P380 WeakPolarHBondContact O-CD 3.39Å; T377-G784 PolarHBondContact OG1-N 2.81Å; T377-M796 HydrophobicContact CG2-CB 4.14Å; T377-M796 HydrophobicContact CG2-CG 3.84Å; T377-M796 WeakPolarHBondContact CG2-O 3.19Å; T377-M796 HydrophobicContact CG2-SD 4.23Å; T377-R799 HydrophobicContact CG2-CG 4.25Å
378	S	98.9	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-50	139.8	-179.9	-62.2	0	0	0	0	112.8	G374 K383 A643 R799 L813	G374-S378 PolarHBondContact O-N 3.08Å; G374-S378 VanDerWaalsContact O-N 3.09Å; G374-S378 PolarHBondContact O-OG 2.97Å; S378-K383 PolarHBondContact O-NZ 3.38Å; S378-A643 WeakPolarHBondContact CB-O 3.5Å; S378-A643 PolarHBondContact OG-O 3Å; S378-R799 PolarHBondContact OG-NH1 2.74Å; S378-L813 WeakPolarHBondContact OG-CD2 3.33Å
379	R	98.8	Very high	98.5	Very high	8 Å²	8	10.6 Å²	10.6	3%	0.03	5%	0.053	C	C	.	.	S	Bend	trans	51	54.9	-174.8	-49	-165.2	-178.7	-78.7	1.5	113.9	T377 A381 L382 K383 E437 L813 E815	T377-R379 PolarHBondContact O-N 2.82Å; R379-A381 PolarHBondContact O-N 2.91Å; R379-A381 VanDerWaalsContact O-N 3.07Å; R379-L382 HydrophobicContact CB-CB 4.09Å; R379-L382 PolarHBondContact O-N 3.3Å; R379-K383 PolarHBondContact O-N 3.43Å; R379-K383 VanDerWaalsContact O-N 3.14Å; R379-E437 WeakPolarHBondContact CD-OE1 3.38Å; R379-E437 VanDerWaalsContact CD-OE2 3.24Å; R379-E437 WeakPolarHBondContact CD-OE2 3.41Å; R379-E437 IonicContact CZ-OE2 3.78Å; R379-E437 IonicContact NE-OE1 3.85Å; R379-E437 IonicContact NE-OE2 3.39Å; R379-E437 PolarHBondContact NE-OE2 3.44Å; R379-E437 PolarHBondContact NH2-O 2.96Å; R379-L813 HydrophobicContact CG-CD1 3.9Å; R379-E815 WeakPolarHBondContact CA-OE2 3.17Å; R379-E815 WeakPolarHBondContact CG-OE1 3.13Å; R379-E815 IonicContact NH1-OE1 3.21Å; R379-E815 PolarHBondContact NH1-OE1 2.89Å
380	P	98.7	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.9	-18.1	-173.3	30.1	-36.9	0	0	0	113.2	T377 R384 R781 L797 H798 V826	T377-P380 VanDerWaalsContact O-CD 3.24Å; T377-P380 WeakPolarHBondContact O-CD 3.39Å; P380-R384 PolarHBondContact O-N 2.65Å; P380-R781 WeakPolarHBondContact O-CD 3.18Å; P380-R781 PolarHBondContact O-NH1 3.44Å; P380-L797 WeakPolarHBondContact CB-O 3.45Å; P380-H798 HydrophobicContact CG-CB 4.48Å; P380-V826 HydrophobicContact CB-CG1 4.26Å; P380-V826 HydrophobicContact CG-CB 4.46Å; P380-V826 HydrophobicContact CG-CG1 4.05Å; P380-V826 HydrophobicContact CG-CG2 4.03Å
381	A	98.5	Very high	98.6	Very high	37 Å²	37	9.7 Å²	9.7	31%	0.306	5%	0.049	S	C	.	.	H	α-helix	trans	-69.9	-44.4	170.7	0	0	0	0	0	112	R379 R384 Y385 L824 V826	R379-A381 PolarHBondContact O-N 2.91Å; R379-A381 VanDerWaalsContact O-N 3.07Å; A381-R384 PolarHBondContact O-N 2.82Å; A381-Y385 PolarHBondContact O-N 2.99Å; A381-L824 HydrophobicContact CB-CD2 3.89Å; A381-V826 HydrophobicContact CB-CG2 4.36Å
382	L	98.8	Very high	98.6	Very high	20 Å²	20	10.4 Å²	10.4	11%	0.105	5%	0.053	C	C	.	.	H	α-helix	trans	-64.8	-42.8	176.9	-178.1	60.7	0	0	0	111	R379 R384 Y385 E386 E437 Y445	R379-L382 HydrophobicContact CB-CB 4.09Å; R379-L382 PolarHBondContact O-N 3.3Å; L382-R384 VanDerWaalsContact C-N 3.3Å; L382-R384 PolarHBondContact O-N 3.15Å; L382-Y385 CarbonylContact O-C 2.98Å; L382-Y385 WeakPolarHBondContact O-CA 3.39Å; L382-Y385 WeakPolarHBondContact O-CB 3.5Å; L382-Y385 PolarHBondContact O-N 3Å; L382-E386 PolarHBondContact O-N 2.79Å; L382-E437 VanDerWaalsContact CD2-OE1 3.25Å; L382-E437 WeakPolarHBondContact CD2-OE1 3.48Å; L382-Y445 HydrophobicContact CD2-CD2 4.41Å
383	K	98.9	Very high	98.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.7	-39.6	174.4	-74.1	176.2	161.5	63.5	0	113.2	Y375 F376 S378 R379 R387 V433 S434 R781 S782	Y375-K383 VanDerWaalsContact O-CE 3.26Å; Y375-K383 WeakPolarHBondContact O-CE 3.49Å; Y375-K383 PolarHBondContact O-NZ 2.96Å; F376-K383 VanDerWaalsContact O-CE 3.31Å; F376-K383 WeakPolarHBondContact O-CE 3.45Å; S378-K383 PolarHBondContact O-NZ 3.38Å; R379-K383 PolarHBondContact O-N 3.43Å; R379-K383 VanDerWaalsContact O-N 3.14Å; K383-R387 PolarHBondContact O-N 2.94Å; K383-R387 VanDerWaalsContact O-N 3.13Å; K383-V433 VanDerWaalsContact CE-O 3.25Å; K383-V433 WeakPolarHBondContact CE-O 3.32Å; K383-V433 HydrophobicContact CG-CG2 4.17Å; K383-V433 WeakPolarHBondContact CG-O 3.43Å; K383-V433 PolarHBondContact NZ-O 2.7Å; K383-S434 PolarHBondContact NZ-O 3.07Å; K383-R781 HydrophobicContact CB-CB 4.39Å; K383-S782 WeakPolarHBondContact CD-O 3.38Å
384	R	98.4	Very high	98.5	Very high	33 Å²	33	10.7 Å²	10.7	13%	0.125	5%	0.054	C	C	.	.	H	α-helix	trans	-69.7	-38.6	173.3	-177.9	59.8	176.9	145	10.9	112	P380 A381 L382 E386 R387 I388 D780 R781 Q854	P380-R384 PolarHBondContact O-N 2.65Å; A381-R384 PolarHBondContact O-N 2.82Å; L382-R384 VanDerWaalsContact C-N 3.3Å; L382-R384 PolarHBondContact O-N 3.15Å; R384-E386 VanDerWaalsContact C-N 3.33Å; R384-R387 PolarHBondContact O-N 3.16Å; R384-I388 HydrophobicContact CG-CD1 4.01Å; R384-I388 HydrophobicContact CG-CG1 4.46Å; R384-I388 WeakPolarHBondContact O-CG1 3.25Å; R384-I388 PolarHBondContact O-N 2.84Å; R384-D780 WeakPolarHBondContact CD-O 3.17Å; R384-D780 IonicContact CZ-OD2 3.05Å; R384-D780 IonicContact NE-OD2 3.94Å; R384-D780 PolarHBondContact NE-OD2 2.82Å; R384-D780 PolarHBondContact NH1-O 2.81Å; R384-R781 HydrophobicContact CB-CB 4.22Å; R384-Q854 VanDerWaalsContact NH2-OE1 3.08Å
385	Y	98.6	Very high	98.5	Very high	60 Å²	60	10.7 Å²	10.7	24%	0.235	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-38.6	179.6	-164.4	-150	0	0	0	111.6	A381 L382 S389 A446 L449 A450 W453	A381-Y385 PolarHBondContact O-N 2.99Å; L382-Y385 CarbonylContact O-C 2.98Å; L382-Y385 WeakPolarHBondContact O-CA 3.39Å; L382-Y385 WeakPolarHBondContact O-CB 3.5Å; L382-Y385 PolarHBondContact O-N 3Å; Y385-S389 WeakPolarHBondContact O-CB 3.44Å; Y385-S389 PolarHBondContact O-N 3Å; Y385-S389 PolarHBondContact O-OG 3.45Å; Y385-A446 HydrophobicContact CD1-CB 4.28Å; Y385-A446 HydrophobicContact CE1-CB 4.2Å; Y385-A446 WeakPolarHBondContact CE1-O 3.27Å; Y385-L449 HydrophobicContact CD1-CB 4.21Å; Y385-L449 HydrophobicContact CD1-CD1 3.83Å; Y385-L449 HydrophobicContact CE1-CB 3.73Å; Y385-L449 HydrophobicContact CE1-CD1 4.22Å; Y385-L449 HydrophobicContact CG-CD1 4.29Å; Y385-A450 WeakPolarHBondContact OH-CA 2.92Å; Y385-A450 WeakPolarHBondContact OH-CB 3.34Å; Y385-A450 PolarHBondContact OH-N 2.99Å; Y385-W453 HydrophobicContact CD2-CH2 4.13Å; Y385-W453 AromaticContact CD2-CZ2 3.75Å; Y385-W453 HydrophobicContact CD2-CZ2 3.75Å; Y385-W453 HydrophobicContact CE2-CD2 4.23Å; Y385-W453 AromaticContact CE2-CE2 3.66Å; Y385-W453 HydrophobicContact CE2-CE3 4.47Å; Y385-W453 AromaticContact CE2-CH2 3.66Å; Y385-W453 HydrophobicContact CE2-CH2 3.66Å; Y385-W453 AromaticContact CE2-CZ2 3.35Å; Y385-W453 HydrophobicContact CE2-CZ2 3.35Å; Y385-W453 HydrophobicContact CE2-CZ3 4.21Å
386	E	98.6	Very high	98.4	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-56.8	-52.3	168.6	-175.5	-76.3	147.4	0	0	111	L382 R384 I388 S389 N390 M424 A427 Q428 V433	L382-E386 PolarHBondContact O-N 2.79Å; R384-E386 VanDerWaalsContact C-N 3.33Å; E386-I388 PolarHBondContact O-N 3.27Å; E386-S389 WeakPolarHBondContact O-CB 3.33Å; E386-S389 PolarHBondContact O-N 2.88Å; E386-S389 VanDerWaalsContact O-N 3.09Å; E386-N390 PolarHBondContact O-N 3.48Å; E386-M424 HydrophobicContact CG-CE 3.99Å; E386-M424 WeakPolarHBondContact OE1-CE 3.44Å; E386-A427 HydrophobicContact CG-CB 4.34Å; E386-Q428 PolarHBondContact OE1-NE2 2.89Å; E386-V433 HydrophobicContact CB-CG2 4.29Å; E386-V433 HydrophobicContact CG-CB 4.34Å; E386-V433 HydrophobicContact CG-CG2 3.97Å
387	R	98.1	Very high	98.3	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-43.6	-177.1	-175.8	61.5	66.9	-104.8	-12.1	112.7	H148 K383 R384 N390 S391 S782	H148-R387 VanDerWaalsContact CB-CZ 3.45Å; H148-R387 VanDerWaalsContact CB-NH1 3.28Å; K383-R387 PolarHBondContact O-N 2.94Å; K383-R387 VanDerWaalsContact O-N 3.13Å; R384-R387 PolarHBondContact O-N 3.16Å; R387-N390 PolarHBondContact O-N 3.11Å; R387-S391 PolarHBondContact O-N 3.28Å; R387-S782 PolarHBondContact NH2-OG 3.4Å
388	I	97.9	Very high	98.3	Very high	31 Å²	31	10.9 Å²	10.9	16%	0.159	6%	0.055	C	C	.	.	H	α-helix	trans	-68.2	-38.9	176.2	-61.9	171.8	0	0	0	110.6	R384 E386 N390 S391 N392 W453	R384-I388 HydrophobicContact CG-CD1 4.01Å; R384-I388 HydrophobicContact CG-CG1 4.46Å; R384-I388 WeakPolarHBondContact O-CG1 3.25Å; R384-I388 PolarHBondContact O-N 2.84Å; E386-I388 PolarHBondContact O-N 3.27Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 3.24Å; I388-S391 WeakPolarHBondContact O-CB 3.13Å; I388-S391 PolarHBondContact O-N 3.02Å; I388-N392 PolarHBondContact O-N 3.41Å; I388-W453 HydrophobicContact CB-CH2 4.35Å; I388-W453 HydrophobicContact CB-CZ2 4.09Å; I388-W453 HydrophobicContact CG2-CH2 3.53Å; I388-W453 HydrophobicContact CG2-CZ2 3.52Å
389	S	98.6	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.3	-36.8	178	-62.7	0	0	0	0	112.2	Y385 E386 N392 L393 M424 W453	Y385-S389 WeakPolarHBondContact O-CB 3.44Å; Y385-S389 PolarHBondContact O-N 3Å; Y385-S389 PolarHBondContact O-OG 3.45Å; E386-S389 WeakPolarHBondContact O-CB 3.33Å; E386-S389 PolarHBondContact O-N 2.88Å; E386-S389 VanDerWaalsContact O-N 3.09Å; S389-N392 PolarHBondContact O-N 3.38Å; S389-L393 WeakPolarHBondContact O-CB 3.23Å; S389-L393 PolarHBondContact O-N 3.5Å; S389-M424 WeakPolarHBondContact CB-SD 3.25Å; S389-W453 PolarHBondContact OG-NE1 3.13Å
390	N	98.3	Very high	98.1	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-50.5	170.3	-173.4	-9.2	0	0	0	111	S150 E386 R387 I388 N392 L393 Q394 M424	S150-N390 PolarHBondContact OG-ND2 2.72Å; E386-N390 PolarHBondContact O-N 3.48Å; R387-N390 PolarHBondContact O-N 3.11Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 3.24Å; N390-N392 VanDerWaalsContact C-N 3.29Å; N390-N392 PolarHBondContact O-N 3.44Å; N390-L393 WeakPolarHBondContact O-CB 3.17Å; N390-L393 PolarHBondContact O-N 2.94Å; N390-L393 VanDerWaalsContact O-N 3.11Å; N390-Q394 WeakPolarHBondContact O-CG 3.32Å; N390-Q394 PolarHBondContact O-N 2.96Å; N390-Q394 PolarHBondContact OD1-NE2 2.8Å; N390-M424 HydrophobicContact CB-CE 3.7Å
391	S	97.7	Very high	98	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-55.9	-42.6	176.3	-168.7	0	0	0	0	112.7	R387 I388 Q394 S395 V852 S853 Q854	R387-S391 PolarHBondContact O-N 3.28Å; I388-S391 WeakPolarHBondContact O-CB 3.13Å; I388-S391 PolarHBondContact O-N 3.02Å; S391-Q394 PolarHBondContact O-N 3.33Å; S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 VanDerWaalsContact O-N 3.07Å; S391-S395 PolarHBondContact O-OG 2.93Å; S391-V852 WeakPolarHBondContact CB-O 3.47Å; S391-V852 PolarHBondContact OG-O 2.63Å; S391-S853 WeakPolarHBondContact OG-CA 3.49Å; S391-Q854 PolarHBondContact OG-N 2.89Å; S391-Q854 VanDerWaalsContact OG-N 3.12Å; S391-Q854 PolarHBondContact OG-O 2.91Å
392	N	97.9	Very high	97.9	Very high	18 Å²	18	9.3 Å²	9.3	10%	0.096	4%	0.042	C	C	.	.	H	α-helix	trans	-66.8	-40.7	177.7	-73.8	-4.4	0	0	0	111.4	I388 S389 N390 S395 C396 L420 W453	I388-N392 PolarHBondContact O-N 3.41Å; S389-N392 PolarHBondContact O-N 3.38Å; N390-N392 VanDerWaalsContact C-N 3.29Å; N390-N392 PolarHBondContact O-N 3.44Å; N392-S395 PolarHBondContact O-N 2.98Å; N392-C396 WeakPolarHBondContact O-CB 3.21Å; N392-C396 PolarHBondContact O-N 3.18Å; N392-L420 HydrophobicContact CB-CD2 4.36Å; N392-W453 VanDerWaalsContact ND2-CZ2 3.28Å; N392-W453 WeakPolarHBondContact ND2-CZ2 3.41Å
393	L	98.5	Very high	97.6	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-44.8	175.2	177.6	59.7	0	0	0	111.6	S389 N390 S395 C396 N397 L420 R421 M424	S389-L393 WeakPolarHBondContact O-CB 3.23Å; S389-L393 PolarHBondContact O-N 3.5Å; N390-L393 WeakPolarHBondContact O-CB 3.17Å; N390-L393 PolarHBondContact O-N 2.94Å; N390-L393 VanDerWaalsContact O-N 3.11Å; L393-S395 PolarHBondContact O-N 3.3Å; L393-C396 WeakPolarHBondContact O-CB 3.46Å; L393-C396 PolarHBondContact O-N 3.14Å; L393-N397 WeakPolarHBondContact O-CB 3.46Å; L393-N397 VanDerWaalsContact O-CG 3.29Å; L393-N397 PolarHBondContact O-N 3.09Å; L393-N397 PolarHBondContact O-ND2 2.95Å; L393-L420 HydrophobicContact CB-CD2 3.9Å; L393-L420 HydrophobicContact CB-CG 4.1Å; L393-L420 HydrophobicContact CD1-CB 4.23Å; L393-L420 HydrophobicContact CD1-CD2 4.44Å; L393-L420 HydrophobicContact CD1-CG 4.22Å; L393-R421 HydrophobicContact CD1-CB 4.13Å; L393-R421 HydrophobicContact CD2-CB 4.39Å; L393-R421 HydrophobicContact CD2-CG 4.5Å; L393-M424 HydrophobicContact CD2-CB 4.01Å; L393-M424 HydrophobicContact CD2-CG 3.92Å
394	Q	98.1	Very high	97.2	Very high	7 Å²	7	9.2 Å²	9.2	3%	0.033	5%	0.046	C	C	.	.	H	α-helix	trans	-62.4	-44.6	177	-58.9	-44.9	-38.2	0	0	111.6	D154 N390 S391 C396 N397 Q398	D154-Q394 PolarHBondContact OD2-NE2 3.4Å; N390-Q394 WeakPolarHBondContact O-CG 3.32Å; N390-Q394 PolarHBondContact O-N 2.96Å; N390-Q394 PolarHBondContact OD1-NE2 2.8Å; S391-Q394 PolarHBondContact O-N 3.33Å; Q394-C396 VanDerWaalsContact C-N 3.29Å; Q394-C396 PolarHBondContact O-N 3.42Å; Q394-N397 PolarHBondContact O-N 3.19Å; Q394-Q398 WeakPolarHBondContact O-CB 3.43Å; Q394-Q398 WeakPolarHBondContact O-CG 3.35Å; Q394-Q398 PolarHBondContact O-N 2.91Å
395	S	98	Very high	96.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-39.5	175.6	-56.5	0	0	0	0	111.8	S391 N392 L393 L399	S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 VanDerWaalsContact O-N 3.07Å; S391-S395 PolarHBondContact O-OG 2.93Å; N392-S395 PolarHBondContact O-N 2.98Å; L393-S395 PolarHBondContact O-N 3.3Å; S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 WeakPolarHBondContact O-CG 3.29Å; S395-L399 PolarHBondContact O-N 2.94Å
396	C	97.3	Very high	96.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-53.7	174	-133.4	0	0	0	0	112.1	N392 L393 Q394 Q398 L399 E400 C456 L459	N392-C396 WeakPolarHBondContact O-CB 3.21Å; N392-C396 PolarHBondContact O-N 3.18Å; L393-C396 WeakPolarHBondContact O-CB 3.46Å; L393-C396 PolarHBondContact O-N 3.14Å; Q394-C396 VanDerWaalsContact C-N 3.29Å; Q394-C396 PolarHBondContact O-N 3.42Å; C396-Q398 VanDerWaalsContact C-N 3.32Å; C396-Q398 PolarHBondContact O-N 2.82Å; C396-L399 PolarHBondContact O-N 3.46Å; C396-E400 VanDerWaalsContact O-CB 3.3Å; C396-E400 WeakPolarHBondContact O-CB 3.43Å; C396-E400 PolarHBondContact O-N 2.97Å; C396-C456 HydrophobicContact CB-CB 4.25Å; C396-C456 WeakPolarHBondContact CB-SG 3.46Å; C396-C456 WeakPolarHBondContact SG-CA 3.39Å; C396-C456 WeakPolarHBondContact SG-CB 3.19Å; C396-C456 CovalentContact SG-SG 2.03Å; C396-C456 PolarHBondContact SG-SG 2.92Å; C396-L459 WeakPolarHBondContact O-CD2 3.31Å
397	N	97.9	Very high	95.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-41.7	-177.6	-73.4	-28.3	0	0	0	111.2	L393 Q394 E400 V401 S417 R421 L888	L393-N397 WeakPolarHBondContact O-CB 3.46Å; L393-N397 VanDerWaalsContact O-CG 3.29Å; L393-N397 PolarHBondContact O-N 3.09Å; L393-N397 PolarHBondContact O-ND2 2.95Å; Q394-N397 PolarHBondContact O-N 3.19Å; N397-E400 WeakPolarHBondContact O-CB 3.23Å; N397-E400 PolarHBondContact O-N 3.24Å; N397-V401 PolarHBondContact O-N 3.48Å; N397-S417 VanDerWaalsContact OD1-CB 3.24Å; N397-S417 WeakPolarHBondContact OD1-CB 3.23Å; N397-S417 PolarHBondContact OD1-OG 3.2Å; N397-R421 PolarHBondContact OD1-NH2 3.15Å; N397-L888 CarbonylContact C-O 3.53Å; N397-L888 WeakPolarHBondContact CB-O 3.42Å
398	Q	98.2	Very high	95.7	Very high	4 Å²	4	19 Å²	19	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-49.5	177.2	-71	167.4	-6.5	0	0	111.1	Q394 C396 E400 V401 L402 Y499 P501 L563 L888	Q394-Q398 WeakPolarHBondContact O-CB 3.43Å; Q394-Q398 WeakPolarHBondContact O-CG 3.35Å; Q394-Q398 PolarHBondContact O-N 2.91Å; C396-Q398 VanDerWaalsContact C-N 3.32Å; C396-Q398 PolarHBondContact O-N 2.82Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.02Å; Q398-V401 PolarHBondContact O-N 3.07Å; Q398-L402 VanDerWaalsContact O-CG 3.23Å; Q398-L402 WeakPolarHBondContact O-CG 3.13Å; Q398-L402 PolarHBondContact O-N 2.83Å; Q398-Y499 VanDerWaalsContact CB-OH 3.27Å; Q398-Y499 WeakPolarHBondContact CB-OH 3.26Å; Q398-Y499 PolarHBondContact OE1-OH 3.44Å; Q398-P501 PolarHBondContact NE2-O 3.33Å; Q398-L563 HydrophobicContact CB-CD1 4.04Å; Q398-L563 VanDerWaalsContact CD-CD1 3.44Å; Q398-L563 HydrophobicContact CG-CD1 3.8Å; Q398-L888 HydrophobicContact CB-CD2 4.45Å; Q398-L888 HydrophobicContact CG-CB 4Å; Q398-L888 HydrophobicContact CG-CD2 4.34Å; Q398-L888 PolarHBondContact N-O 3.3Å
399	L	97.6	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-27.3	-179.5	-75.9	171.3	0	0	0	113.1	S395 C396 V401 L402 G403 S407 V460 S463 L464 L467 Y499	S395-L399 WeakPolarHBondContact O-CB 3.45Å; S395-L399 WeakPolarHBondContact O-CG 3.29Å; S395-L399 PolarHBondContact O-N 2.94Å; C396-L399 PolarHBondContact O-N 3.46Å; L399-V401 VanDerWaalsContact C-N 3.32Å; L399-L402 PolarHBondContact O-N 2.83Å; L399-G403 WeakPolarHBondContact O-CA 3.44Å; L399-G403 PolarHBondContact O-N 2.82Å; L399-S407 PolarHBondContact O-OG 2.58Å; L399-V460 HydrophobicContact CD1-CB 4.26Å; L399-V460 HydrophobicContact CD1-CG1 3.73Å; L399-V460 HydrophobicContact CD1-CG2 3.99Å; L399-S463 WeakPolarHBondContact O-CB 3.43Å; L399-S463 PolarHBondContact O-OG 3.41Å; L399-S463 VanDerWaalsContact O-OG 3.06Å; L399-L464 HydrophobicContact CD1-CD2 4.2Å; L399-L464 HydrophobicContact CD1-CG 4.16Å; L399-L464 HydrophobicContact CD2-CD2 3.8Å; L399-L464 HydrophobicContact CD2-CG 4.38Å; L399-L467 HydrophobicContact CD2-CD1 3.98Å; L399-Y499 HydrophobicContact CD1-CD1 4.04Å; L399-Y499 HydrophobicContact CD1-CD2 4.21Å; L399-Y499 HydrophobicContact CD1-CE1 4.08Å; L399-Y499 HydrophobicContact CD1-CE2 4.26Å; L399-Y499 HydrophobicContact CD1-CG 4.1Å; L399-Y499 HydrophobicContact CD2-CD2 3.95Å; L399-Y499 HydrophobicContact CD2-CE2 3.53Å; L399-Y499 HydrophobicContact CG-CD1 4.45Å; L399-Y499 HydrophobicContact CG-CD2 4.3Å; L399-Y499 HydrophobicContact CG-CE1 4.02Å; L399-Y499 HydrophobicContact CG-CE2 3.87Å
400	E	96.1	Very high	95.3	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-43.7	169.2	-174.4	171.9	-152.6	0	0	111.6	C396 N397 Q398 G404 R408 S417 L459 Q890	C396-E400 VanDerWaalsContact O-CB 3.3Å; C396-E400 WeakPolarHBondContact O-CB 3.43Å; C396-E400 PolarHBondContact O-N 2.97Å; N397-E400 WeakPolarHBondContact O-CB 3.23Å; N397-E400 PolarHBondContact O-N 3.24Å; Q398-E400 VanDerWaalsContact C-N 3.3Å; Q398-E400 PolarHBondContact O-N 3.02Å; E400-G404 PolarHBondContact O-N 3.31Å; E400-R408 IonicContact OE1-CZ 3.46Å; E400-R408 IonicContact OE1-NE 3.18Å; E400-R408 PolarHBondContact OE1-NE 3.13Å; E400-R408 IonicContact OE1-NH2 2.87Å; E400-R408 PolarHBondContact OE1-NH2 2.95Å; E400-S417 WeakPolarHBondContact OE2-CB 3.28Å; E400-S417 PolarHBondContact OE2-OG 2.84Å; E400-L459 HydrophobicContact CB-CD1 4.1Å; E400-L459 HydrophobicContact CB-CD2 3.9Å; E400-L459 HydrophobicContact CG-CD1 4.02Å; E400-Q890 HydrophobicContact CG-CB 4.13Å
401	V	96.3	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.2	-49.3	175.3	175.8	0	0	0	0	110.7	N397 Q398 L399 G403 G404 L888 Q890 V896 L927 F988	N397-V401 PolarHBondContact O-N 3.48Å; Q398-V401 PolarHBondContact O-N 3.07Å; L399-V401 VanDerWaalsContact C-N 3.32Å; V401-G403 PolarHBondContact O-N 3.28Å; V401-G404 PolarHBondContact O-N 2.96Å; V401-L888 HydrophobicContact CB-CD2 4.41Å; V401-L888 HydrophobicContact CB-CG 4.24Å; V401-L888 HydrophobicContact CG1-CD1 4.27Å; V401-L888 HydrophobicContact CG1-CD2 4.38Å; V401-L888 HydrophobicContact CG1-CG 4.28Å; V401-L888 HydrophobicContact CG2-CG 4.23Å; V401-Q890 HydrophobicContact CG2-CB 4.24Å; V401-Q890 VanDerWaalsContact CG2-N 3.3Å; V401-V896 HydrophobicContact CG1-CG1 4.11Å; V401-V896 HydrophobicContact CG1-CG2 3.8Å; V401-V896 HydrophobicContact CG2-CG1 4.05Å; V401-V896 HydrophobicContact CG2-CG2 4.14Å; V401-L927 HydrophobicContact CG1-CD2 3.69Å; V401-F988 HydrophobicContact CG1-CE1 4.44Å; V401-F988 WeakPolarHBondContact O-CE1 3.06Å
402	L	95.5	Very high	94.9	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-35.1	-173.1	-63.5	167.6	0	0	0	113	Q398 L399 L467 L563 F872 T926	Q398-L402 VanDerWaalsContact O-CG 3.23Å; Q398-L402 WeakPolarHBondContact O-CG 3.13Å; Q398-L402 PolarHBondContact O-N 2.83Å; L399-L402 PolarHBondContact O-N 2.83Å; L402-L467 HydrophobicContact CB-CD1 4.36Å; L402-L563 HydrophobicContact CD1-CD1 4.37Å; L402-L563 HydrophobicContact CD1-CD2 4.25Å; L402-L563 HydrophobicContact CD1-CG 3.9Å; L402-L563 HydrophobicContact CD2-CD2 4.33Å; L402-F872 HydrophobicContact CD1-CE1 4.35Å; L402-T926 WeakPolarHBondContact CD2-OG1 3.08Å
403	G	92.6	Very high	94.8	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	-81.8	-15.8	176.7	0	0	0	0	0	113.8	L399 V401 V406 S407	L399-G403 WeakPolarHBondContact O-CA 3.44Å; L399-G403 PolarHBondContact O-N 2.82Å; V401-G403 PolarHBondContact O-N 3.28Å; G403-V406 VanDerWaalsContact O-CG2 3.24Å; G403-V406 WeakPolarHBondContact O-CG2 3.29Å; G403-S407 WeakPolarHBondContact CA-OG 3.43Å
404	G	90.1	Very high	94.7	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	69.5	-155.1	176	0	0	0	0	0	113.9	E400 V401 V406 S407	E400-G404 PolarHBondContact O-N 3.31Å; V401-G404 PolarHBondContact O-N 2.96Å; G404-V406 PolarHBondContact O-N 3.48Å; G404-S407 VanDerWaalsContact O-CB 3.3Å; G404-S407 WeakPolarHBondContact O-CB 3.23Å; G404-S407 PolarHBondContact O-N 2.94Å; G404-S407 PolarHBondContact O-OG 2.69Å
405	P	85	Confident	94.6	Very high	107 Å²	107	41.8 Å²	41.8	70%	0.695	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-57.1	-27.2	-171.4	-28.4	35.6	0	0	0	115.6	S407	P405-S407 VanDerWaalsContact C-N 3.27Å; P405-S407 PolarHBondContact O-N 3.08Å
406	V	90.9	Very high	94.4	Very high	64 Å²	64	43.7 Å²	43.7	39%	0.388	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72.7	-18	-179.6	-62.1	0	0	0	0	113.2	G403 G404 R408 K409 G410	G403-V406 VanDerWaalsContact O-CG2 3.24Å; G403-V406 WeakPolarHBondContact O-CG2 3.29Å; G404-V406 PolarHBondContact O-N 3.48Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 3.06Å; V406-K409 CarbonylContact O-C 3.51Å; V406-K409 PolarHBondContact O-N 3.44Å; V406-G410 WeakPolarHBondContact O-CA 3.16Å; V406-G410 PolarHBondContact O-N 3.14Å
407	S	93.6	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.5	-42.6	-179.1	-64.5	0	0	0	0	112.4	L399 G403 G404 P405 L459 N462 S463	L399-S407 PolarHBondContact O-OG 2.58Å; G403-S407 WeakPolarHBondContact CA-OG 3.43Å; G404-S407 VanDerWaalsContact O-CB 3.3Å; G404-S407 WeakPolarHBondContact O-CB 3.23Å; G404-S407 PolarHBondContact O-N 2.94Å; G404-S407 PolarHBondContact O-OG 2.69Å; P405-S407 VanDerWaalsContact C-N 3.27Å; P405-S407 PolarHBondContact O-N 3.08Å; S407-L459 WeakPolarHBondContact O-CA 3.1Å; S407-N462 WeakPolarHBondContact O-CB 3.35Å; S407-N462 PolarHBondContact O-ND2 3.21Å; S407-N462 VanDerWaalsContact O-ND2 3.16Å; S407-S463 WeakPolarHBondContact CB-OG 3.33Å; S407-S463 PolarHBondContact OG-OG 2.98Å
408	R	93.4	Very high	94.3	Very high	131 Å²	131	46.8 Å²	46.8	49%	0.494	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-30.6	-178.8	-69.4	-175.6	177.5	179	0.3	113.9	E400 V406 Q414 G415 L459	E400-R408 IonicContact OE1-CZ 3.46Å; E400-R408 IonicContact OE1-NE 3.18Å; E400-R408 PolarHBondContact OE1-NE 3.13Å; E400-R408 IonicContact OE1-NH2 2.87Å; E400-R408 PolarHBondContact OE1-NH2 2.95Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 3.06Å; R408-Q414 WeakPolarHBondContact O-CA 3.29Å; R408-G415 VanDerWaalsContact CA-O 3.29Å; R408-G415 WeakPolarHBondContact CA-O 3.37Å; R408-G415 PolarHBondContact O-N 3.22Å; R408-L459 HydrophobicContact CG-CD1 4.39Å
409	K	94.4	Very high	94.3	Very high	154 Å²	154	48.4 Å²	48.4	67%	0.67	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	89.2	-177.4	-173	180	178.4	-177.6	0	109	V406 Q414	V406-K409 CarbonylContact O-C 3.51Å; V406-K409 PolarHBondContact O-N 3.44Å; K409-Q414 HydrophobicContact CG-CG 4.42Å
410	G	93.4	Very high	94.3	Very high	29 Å²	29	48.4 Å²	48.4	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-159.5	-176.3	0	0	0	0	0	112.6	V406 F412 G413 N462	V406-G410 WeakPolarHBondContact O-CA 3.16Å; V406-G410 PolarHBondContact O-N 3.14Å; G410-F412 PolarHBondContact O-N 3.48Å; G410-G413 PolarHBondContact N-O 3.1Å; G410-G413 PolarHBondContact O-N 2.97Å; G410-N462 VanDerWaalsContact C-OD1 3.26Å; G410-N462 WeakPolarHBondContact CA-OD1 3.39Å; G410-N462 PolarHBondContact N-ND2 3.17Å
411	L	93.1	Very high	94.4	Very high	112 Å²	112	49.4 Å²	49.4	59%	0.586	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.8	-175.8	179.5	65.6	0	0	0	113.7	N462 S471	L411-N462 PolarHBondContact N-OD1 3.15Å; L411-S471 VanDerWaalsContact CD2-CA 3.44Å; L411-S471 VanDerWaalsContact CD2-CB 3.46Å
412	F	95.3	Very high	94.6	Very high	59 Å²	59	51.9 Å²	51.9	26%	0.259	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	12.8	-174.6	-52.5	-70.9	0	0	0	113.1	G410 S461 N462 A465 A472	G410-F412 PolarHBondContact O-N 3.48Å; F412-S461 WeakPolarHBondContact CE2-O 3.26Å; F412-N462 PolarHBondContact N-OD1 3.49Å; F412-A465 HydrophobicContact CE2-CB 3.67Å; F412-A465 HydrophobicContact CZ-CB 4.36Å; F412-A472 VanDerWaalsContact CZ-O 3.3Å; F412-A472 WeakPolarHBondContact CZ-O 3.45Å
413	G	95.4	Very high	94.7	Very high	34 Å²	34	51.9 Å²	51.9	35%	0.351	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-154.9	177.2	0	0	0	0	0	113.8	G410 N462	G410-G413 PolarHBondContact N-O 3.1Å; G410-G413 PolarHBondContact O-N 2.97Å; G413-N462 PolarHBondContact O-ND2 3.22Å
414	Q	96.3	Very high	95	Very high	149 Å²	149	51.8 Å²	51.8	70%	0.696	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.6	-176.8	-65.1	-175.9	7.5	0	0	110.7	R408 K409	R408-Q414 WeakPolarHBondContact O-CA 3.29Å; K409-Q414 HydrophobicContact CG-CG 4.42Å
415	G	95.7	Very high	95.4	Very high	4 Å²	4	51.5 Å²	51.5	4%	0.041	27%	0.271	C	S	.	.			trans	-137.2	157.4	175.3	0	0	0	0	0	110.6	R408 H455	R408-G415 VanDerWaalsContact CA-O 3.29Å; R408-G415 WeakPolarHBondContact CA-O 3.37Å; R408-G415 PolarHBondContact O-N 3.22Å; G415-H455 WeakPolarHBondContact CA-O 3.47Å
416	D	95.3	Very high	96.1	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.214	24%	0.239	C	C	.	.			trans	-152.4	152.1	-178.7	65	93.1	0	0	0	111.4	E418 T419 H455	D416-E418 PolarHBondContact OD1-N 3.43Å; D416-T419 VanDerWaalsContact OD1-CB 3.27Å; D416-T419 WeakPolarHBondContact OD1-CB 3.13Å; D416-T419 PolarHBondContact OD1-N 3.37Å; D416-T419 PolarHBondContact OD1-OG1 3.23Å; D416-T419 PolarHBondContact OD2-OG1 2.94Å; D416-H455 PolarHBondContact N-O 2.9Å; D416-H455 IonicContact OD2-CE1 2.76Å; D416-H455 IonicContact OD2-CG 3.67Å; D416-H455 IonicContact OD2-ND1 3.32Å; D416-H455 PolarHBondContact OD2-ND1 3.07Å
417	S	95.8	Very high	96.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.222	C	C	.	.	S	Bend	trans	-83.2	-20.5	172.3	59.8	0	0	0	0	112.3	N397 E400 T419 L420 R421	N397-S417 VanDerWaalsContact OD1-CB 3.24Å; N397-S417 WeakPolarHBondContact OD1-CB 3.23Å; N397-S417 PolarHBondContact OD1-OG 3.2Å; E400-S417 WeakPolarHBondContact OE2-CB 3.28Å; E400-S417 PolarHBondContact OE2-OG 2.84Å; S417-T419 PolarHBondContact O-N 3.12Å; S417-L420 PolarHBondContact O-N 3.48Å; S417-R421 WeakPolarHBondContact O-CB 3.02Å; S417-R421 PolarHBondContact O-N 3.2Å
418	E	96.3	Very high	96.7	Very high	65 Å²	65	43.8 Å²	43.8	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-37.4	-171.9	-176.1	58.5	-162.9	0	0	113.3	D416 R421 K422	D416-E418 PolarHBondContact OD1-N 3.43Å; E418-R421 WeakPolarHBondContact O-CB 3.01Å; E418-R421 PolarHBondContact O-N 3.19Å; E418-R421 IonicContact OE2-NE 3.66Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 WeakPolarHBondContact OE1-CE 3.5Å; E418-K422 IonicContact OE1-NZ 3.03Å; E418-K422 PolarHBondContact OE1-NZ 2.76Å
419	T	98.1	Very high	97	Very high	39 Å²	39	37.6 Å²	37.6	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-45.9	177.5	-60.5	0	0	0	0	110.8	D416 S417 A423 K451	D416-T419 VanDerWaalsContact OD1-CB 3.27Å; D416-T419 WeakPolarHBondContact OD1-CB 3.13Å; D416-T419 PolarHBondContact OD1-N 3.37Å; D416-T419 PolarHBondContact OD1-OG1 3.23Å; D416-T419 PolarHBondContact OD2-OG1 2.94Å; S417-T419 PolarHBondContact O-N 3.12Å; T419-A423 PolarHBondContact O-N 3.19Å; T419-K451 HydrophobicContact CG2-CG 4.36Å
420	L	98.5	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.4	-36.7	175.8	-175.5	54.6	0	0	0	111.7	N392 L393 S417 K422 A423 M424 L449 C456	N392-L420 HydrophobicContact CB-CD2 4.36Å; L393-L420 HydrophobicContact CB-CD2 3.9Å; L393-L420 HydrophobicContact CB-CG 4.1Å; L393-L420 HydrophobicContact CD1-CB 4.23Å; L393-L420 HydrophobicContact CD1-CD2 4.44Å; L393-L420 HydrophobicContact CD1-CG 4.22Å; S417-L420 PolarHBondContact O-N 3.48Å; L420-K422 PolarHBondContact O-N 2.86Å; L420-A423 PolarHBondContact O-N 2.82Å; L420-M424 HydrophobicContact CD1-CG 4.07Å; L420-M424 HydrophobicContact CG-CG 4.26Å; L420-M424 WeakPolarHBondContact O-CB 3.21Å; L420-M424 WeakPolarHBondContact O-CG 3.26Å; L420-M424 PolarHBondContact O-N 2.95Å; L420-L449 HydrophobicContact CD1-CD2 4.38Å; L420-C456 HydrophobicContact CD2-CB 4.12Å
421	R	98.4	Very high	97.4	Very high	25 Å²	25	28.9 Å²	28.9	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-48.1	175.8	-168.4	-176.6	-58.2	-130.4	1.1	111.8	I158 L393 N397 S417 E418 M424 A425 S889	I158-R421 HydrophobicContact CD1-CG 4.18Å; L393-R421 HydrophobicContact CD1-CB 4.13Å; L393-R421 HydrophobicContact CD2-CB 4.39Å; L393-R421 HydrophobicContact CD2-CG 4.5Å; N397-R421 PolarHBondContact OD1-NH2 3.15Å; S417-R421 WeakPolarHBondContact O-CB 3.02Å; S417-R421 PolarHBondContact O-N 3.2Å; E418-R421 WeakPolarHBondContact O-CB 3.01Å; E418-R421 PolarHBondContact O-N 3.19Å; E418-R421 IonicContact OE2-NE 3.66Å; R421-M424 PolarHBondContact O-N 3.31Å; R421-A425 WeakPolarHBondContact O-CB 3.33Å; R421-A425 PolarHBondContact O-N 3.14Å; R421-S889 PolarHBondContact NH2-OG 3.4Å
422	K	98.6	Very high	97.7	Very high	52 Å²	52	23.7 Å²	23.7	23%	0.226	13%	0.126	C	C	.	.	H	α-helix	trans	-66.2	-39	176.5	-74	178.1	168.1	119.9	0	112.9	Y109 W139 I158 E418 L420 A425 V426	Y109-K422 PolarHBondContact OH-NZ 2.96Å; W139-K422 HydrophobicContact CH2-CD 4.15Å; W139-K422 HydrophobicContact CH2-CG 4.13Å; W139-K422 HydrophobicContact CZ2-CB 4.42Å; W139-K422 HydrophobicContact CZ2-CD 4.05Å; W139-K422 HydrophobicContact CZ2-CG 3.87Å; I158-K422 HydrophobicContact CD1-CG 3.74Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 WeakPolarHBondContact OE1-CE 3.5Å; E418-K422 IonicContact OE1-NZ 3.03Å; E418-K422 PolarHBondContact OE1-NZ 2.76Å; L420-K422 PolarHBondContact O-N 2.86Å; K422-A425 PolarHBondContact O-N 2.94Å; K422-V426 WeakPolarHBondContact O-CG2 3.37Å; K422-V426 PolarHBondContact O-N 2.9Å
423	A	98.8	Very high	97.9	Very high	8 Å²	8	21 Å²	21	7%	0.066	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-42.8	176.1	0	0	0	0	0	111.8	T419 L420 V426 A427 R448 L449	T419-A423 PolarHBondContact O-N 3.19Å; L420-A423 PolarHBondContact O-N 2.82Å; A423-V426 PolarHBondContact O-N 3.38Å; A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 3.23Å; A423-R448 HydrophobicContact CB-CB 3.97Å; A423-L449 HydrophobicContact CB-CD2 4.15Å
424	M	98.7	Very high	98	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.03	10%	0.097	C	C	.	.	H	α-helix	trans	-64.3	-40.1	174.9	-78.7	-56	-54.8	0	0	112.4	E386 S389 N390 L393 L420 R421 A427 Q428 L449	E386-M424 HydrophobicContact CG-CE 3.99Å; E386-M424 WeakPolarHBondContact OE1-CE 3.44Å; S389-M424 WeakPolarHBondContact CB-SD 3.25Å; N390-M424 HydrophobicContact CB-CE 3.7Å; L393-M424 HydrophobicContact CD2-CB 4.01Å; L393-M424 HydrophobicContact CD2-CG 3.92Å; L420-M424 HydrophobicContact CD1-CG 4.07Å; L420-M424 HydrophobicContact CG-CG 4.26Å; L420-M424 WeakPolarHBondContact O-CB 3.21Å; L420-M424 WeakPolarHBondContact O-CG 3.26Å; L420-M424 PolarHBondContact O-N 2.95Å; R421-M424 PolarHBondContact O-N 3.31Å; M424-A427 WeakPolarHBondContact O-CB 3.46Å; M424-A427 PolarHBondContact O-N 2.92Å; M424-A427 VanDerWaalsContact O-N 3.15Å; M424-Q428 WeakPolarHBondContact O-CG 3.48Å; M424-Q428 PolarHBondContact O-N 2.75Å; M424-Q428 PolarHBondContact O-NE2 2.72Å; M424-Q428 VanDerWaalsContact O-NE2 3.13Å; M424-L449 HydrophobicContact CG-CD2 4.3Å; M424-L449 HydrophobicContact SD-CD2 3.56Å; M424-L449 VanDerWaalsContact SD-CD2 3.56Å
425	A	98.8	Very high	98.1	Very high	3 Å²	3	12.2 Å²	12.2	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.6	0	0	0	0	0	111.7	W139 C140 Q155 I158 R421 K422 Q428	W139-A425 HydrophobicContact CB-CB 3.69Å; W139-A425 HydrophobicContact CD2-CB 4.38Å; W139-A425 HydrophobicContact CG-CB 3.58Å; C140-A425 PolarHBondContact SG-O 3.21Å; Q155-A425 HydrophobicContact CB-CB 3.75Å; I158-A425 HydrophobicContact CG2-CB 4.19Å; R421-A425 WeakPolarHBondContact O-CB 3.33Å; R421-A425 PolarHBondContact O-N 3.14Å; K422-A425 PolarHBondContact O-N 2.94Å; A425-Q428 PolarHBondContact O-N 2.77Å
426	V	98.9	Very high	98.3	Very high	4 Å²	4	12 Å²	12	2%	0.024	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-41.7	171.1	169.2	0	0	0	0	111.5	V59 V65 K422 A423 Q428 H429 Y445	V59-V426 HydrophobicContact CG1-CB 4.48Å; V59-V426 HydrophobicContact CG1-CG1 4.18Å; V59-V426 HydrophobicContact CG1-CG2 3.98Å; V65-V426 HydrophobicContact CG2-CG1 3.83Å; K422-V426 WeakPolarHBondContact O-CG2 3.37Å; K422-V426 PolarHBondContact O-N 2.9Å; A423-V426 PolarHBondContact O-N 3.38Å; V426-Q428 PolarHBondContact O-N 3.18Å; V426-Q428 VanDerWaalsContact O-N 3.08Å; V426-H429 VanDerWaalsContact O-CB 3.27Å; V426-H429 WeakPolarHBondContact O-CB 3.41Å; V426-H429 PolarHBondContact O-N 2.86Å; V426-Y445 HydrophobicContact CG1-CD1 3.74Å; V426-Y445 HydrophobicContact CG1-CE1 3.49Å; V426-Y445 VanDerWaalsContact CG1-CE1 3.49Å
427	A	98.8	Very high	98.5	Very high	5 Å²	5	10.1 Å²	10.1	4%	0.041	5%	0.052	C	C	.	.	H	α-helix	trans	-64.3	-14.3	-178.1	0	0	0	0	0	113.8	E386 A423 M424 H429 A432 V433 L449	E386-A427 HydrophobicContact CG-CB 4.34Å; A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 3.23Å; M424-A427 WeakPolarHBondContact O-CB 3.46Å; M424-A427 PolarHBondContact O-N 2.92Å; M424-A427 VanDerWaalsContact O-N 3.15Å; A427-H429 VanDerWaalsContact C-N 3.34Å; A427-A432 WeakPolarHBondContact O-CB 3.48Å; A427-V433 VanDerWaalsContact O-CB 3.25Å; A427-V433 WeakPolarHBondContact O-CB 3.24Å; A427-V433 WeakPolarHBondContact O-CG1 3.36Å; A427-V433 PolarHBondContact O-N 3.02Å; A427-V433 VanDerWaalsContact O-N 3.13Å; A427-L449 HydrophobicContact CB-CD2 4.35Å
428	Q	98.9	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.7	175	-54.5	-44.8	-70.6	0	0	113.5	S142 D143 T147 A151 Q155 E386 M424 A425 V426	S142-Q428 CarbonylContact C-O 3.59Å; S142-Q428 WeakPolarHBondContact CA-O 3.07Å; S142-Q428 WeakPolarHBondContact CB-O 3.44Å; D143-Q428 PolarHBondContact N-O 3.04Å; T147-Q428 HydrophobicContact CG2-CB 4.24Å; A151-Q428 HydrophobicContact CB-CG 4.06Å; A151-Q428 VanDerWaalsContact CB-OE1 3.25Å; Q155-Q428 HydrophobicContact CB-CG 4.29Å; Q155-Q428 HydrophobicContact CG-CB 4.16Å; Q155-Q428 HydrophobicContact CG-CG 4.09Å; E386-Q428 PolarHBondContact OE1-NE2 2.89Å; M424-Q428 WeakPolarHBondContact O-CG 3.48Å; M424-Q428 PolarHBondContact O-N 2.75Å; M424-Q428 PolarHBondContact O-NE2 2.72Å; M424-Q428 VanDerWaalsContact O-NE2 3.13Å; A425-Q428 PolarHBondContact O-N 2.77Å; V426-Q428 PolarHBondContact O-N 3.18Å; V426-Q428 VanDerWaalsContact O-N 3.08Å
429	H	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-50.7	147.9	179.8	179.7	66	0	0	0	111.4	D58 V59 G60 C140 V426 A427 D431 A432	D58-H429 IonicContact OD1-CE1 2.73Å; D58-H429 PolarHBondContact OD1-CE1 2.85Å; D58-H429 VanDerWaalsContact OD1-CE1 3.23Å; D58-H429 IonicContact OD1-NE2 2.77Å; D58-H429 PolarHBondContact OD1-NE2 3.19Å; V59-H429 HydrophobicContact CB-CB 4.2Å; V59-H429 PolarHBondContact N-CE1 3.48Å; G60-H429 PolarHBondContact O-CD2 2.88Å; G60-H429 PolarHBondContact O-NE2 3.4Å; C140-H429 HydrophobicContact CB-CB 4.1Å; C140-H429 PolarHBondContact SG-N 2.75Å; C140-H429 VanDerWaalsContact SG-N 3.42Å; V426-H429 VanDerWaalsContact O-CB 3.27Å; V426-H429 WeakPolarHBondContact O-CB 3.41Å; V426-H429 PolarHBondContact O-N 2.86Å; A427-H429 VanDerWaalsContact C-N 3.34Å; H429-D431 PolarHBondContact CD2-N 2.79Å; H429-D431 IonicContact CD2-OD2 2.85Å; H429-D431 IonicContact NE2-OD2 3.57Å; H429-D431 PolarHBondContact NE2-OD2 2.48Å; H429-D431 VanDerWaalsContact NE2-OD2 3.15Å; H429-D431 PolarHBondContact O-N 2.79Å; H429-D431 VanDerWaalsContact O-N 3.09Å; H429-A432 HydrophobicContact CB-CB 4.04Å; H429-A432 PolarHBondContact O-N 2.8Å
430	H	98.8	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.9	-173.5	60.7	-90.9	0	0	0	115.6	H56 D58 M141 D143 D180 P181 F182 S434 T436	H56-H430 AromaticContact CE1-CE1 3.5Å; H56-H430 PolarHBondContact CE1-CE1 3.3Å; H56-H430 VanDerWaalsContact CE1-CE1 3.5Å; H56-H430 AromaticContact CE1-NE2 3.93Å; H56-H430 AromaticContact NE2-CE1 3.6Å; H56-H430 AromaticContact NE2-NE2 3.55Å; D58-H430 IonicContact OD1-CE1 3.1Å; D58-H430 PolarHBondContact OD1-CE1 3.31Å; D58-H430 IonicContact OD1-NE2 3.17Å; D58-H430 PolarHBondContact OD1-NE2 3Å; D58-H430 VanDerWaalsContact OD1-NE2 3.15Å; M141-H430 PolarHBondContact O-N 3.36Å; M141-H430 PolarHBondContact O-ND1 2.85Å; D143-H430 HydrophobicContact CB-CB 4.15Å; D180-H430 IonicContact OD2-CD2 2.82Å; D180-H430 IonicContact OD2-NE2 2.76Å; D180-H430 PolarHBondContact OD2-NE2 3.23Å; P181-H430 HydrophobicContact CG-CB 4.36Å; F182-H430 WeakPolarHBondContact CE2-O 3.49Å; F182-H430 AromaticContact CZ-CD2 3.91Å; F182-H430 WeakPolarHBondContact CZ-O 3.36Å; H430-S434 VanDerWaalsContact C-OG 3.27Å; H430-S434 WeakPolarHBondContact O-CB 3.26Å; H430-S434 PolarHBondContact O-OG 2.65Å; H430-T436 PolarHBondContact O-OG1 3.07Å
431	D	98.8	Very high	98.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.3	164.5	-60.7	-71.6	0	0	0	115.5	W61 H429 S434 T436 E437 Y644	W61-D431 HydrophobicContact CB-CB 4.02Å; W61-D431 HydrophobicContact CG-CB 4.18Å; H429-D431 PolarHBondContact CD2-N 2.79Å; H429-D431 IonicContact CD2-OD2 2.85Å; H429-D431 IonicContact NE2-OD2 3.57Å; H429-D431 PolarHBondContact NE2-OD2 2.48Å; H429-D431 VanDerWaalsContact NE2-OD2 3.15Å; H429-D431 PolarHBondContact O-N 2.79Å; H429-D431 VanDerWaalsContact O-N 3.09Å; D431-S434 VanDerWaalsContact C-OG 3.28Å; D431-S434 WeakPolarHBondContact CA-OG 3.44Å; D431-T436 WeakPolarHBondContact CA-OG1 3.34Å; D431-T436 PolarHBondContact OD1-OG1 2.93Å; D431-E437 HydrophobicContact CB-CB 4.33Å; D431-E437 VanDerWaalsContact O-CB 3.27Å; D431-E437 WeakPolarHBondContact O-CB 3.41Å; D431-E437 VanDerWaalsContact O-CD 3.23Å; D431-E437 PolarHBondContact O-N 2.78Å; D431-Y644 PolarHBondContact OD1-OH 2.03Å
432	A	98.8	Very high	98.8	Very high	2 Å²	2	10 Å²	10	2%	0.017	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-82.4	179.8	0	0	0	0	0	111.5	A427 H429 S434 G435 Y445	A427-A432 WeakPolarHBondContact O-CB 3.48Å; H429-A432 HydrophobicContact CB-CB 4.04Å; H429-A432 PolarHBondContact O-N 2.8Å; A432-S434 PolarHBondContact O-N 3.26Å; A432-G435 PolarHBondContact O-N 3.39Å; A432-Y445 VanDerWaalsContact CA-CE2 3.48Å; A432-Y445 HydrophobicContact CB-CD1 4.43Å; A432-Y445 HydrophobicContact CB-CD2 3.89Å; A432-Y445 HydrophobicContact CB-CE1 4.09Å; A432-Y445 HydrophobicContact CB-CE2 3.48Å; A432-Y445 VanDerWaalsContact CB-CE2 3.48Å; A432-Y445 HydrophobicContact CB-CG 4.34Å
433	V	98.7	Very high	98.8	Very high	2 Å²	2	12 Å²	12	1%	0.012	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.6	-179.1	62.9	0	0	0	0	112.5	D143 T146 T147 K383 E386 A427 G435	D143-V433 HydrophobicContact CB-CG1 4.26Å; T146-V433 WeakPolarHBondContact O-CG2 3.35Å; T146-V433 PolarHBondContact OG1-O 3.23Å; T147-V433 HydrophobicContact CG2-CG1 3.66Å; K383-V433 VanDerWaalsContact CE-O 3.25Å; K383-V433 WeakPolarHBondContact CE-O 3.32Å; K383-V433 HydrophobicContact CG-CG2 4.17Å; K383-V433 WeakPolarHBondContact CG-O 3.43Å; K383-V433 PolarHBondContact NZ-O 2.7Å; E386-V433 HydrophobicContact CB-CG2 4.29Å; E386-V433 HydrophobicContact CG-CB 4.34Å; E386-V433 HydrophobicContact CG-CG2 3.97Å; A427-V433 VanDerWaalsContact O-CB 3.25Å; A427-V433 WeakPolarHBondContact O-CB 3.24Å; A427-V433 WeakPolarHBondContact O-CG1 3.36Å; A427-V433 PolarHBondContact O-N 3.02Å; A427-V433 VanDerWaalsContact O-N 3.13Å; V433-G435 PolarHBondContact O-N 3.37Å
434	S	98.8	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.1	172.2	60.6	0	0	0	0	113.1	T146 K383 H430 D431 A432 T436	T146-S434 WeakPolarHBondContact OG1-CA 3.31Å; T146-S434 PolarHBondContact OG1-N 2.97Å; K383-S434 PolarHBondContact NZ-O 3.07Å; H430-S434 VanDerWaalsContact C-OG 3.27Å; H430-S434 WeakPolarHBondContact O-CB 3.26Å; H430-S434 PolarHBondContact O-OG 2.65Å; D431-S434 VanDerWaalsContact C-OG 3.28Å; D431-S434 WeakPolarHBondContact CA-OG 3.44Å; A432-S434 PolarHBondContact O-N 3.26Å; S434-T436 PolarHBondContact OG-OG1 3.35Å
435	G	98.8	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.			trans	75.2	34	-179.7	0	0	0	0	0	114	A432 V433 E437	A432-G435 PolarHBondContact O-N 3.39Å; V433-G435 PolarHBondContact O-N 3.37Å; G435-E437 WeakPolarHBondContact CA-OE2 3.25Å
436	T	98.8	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.			trans	-112.1	9.1	-175.1	54.9	0	0	0	0	114.4	W61 F182 H430 D431 S434 A643 Y644 V809	W61-T436 PolarHBondContact NE1-O 3.12Å; F182-T436 HydrophobicContact CE2-CG2 4.13Å; H430-T436 PolarHBondContact O-OG1 3.07Å; D431-T436 WeakPolarHBondContact CA-OG1 3.34Å; D431-T436 PolarHBondContact OD1-OG1 2.93Å; S434-T436 PolarHBondContact OG-OG1 3.35Å; T436-A643 HydrophobicContact CG2-CB 4.46Å; T436-Y644 HydrophobicContact CG2-CD1 3.4Å; T436-Y644 HydrophobicContact CG2-CD2 4.23Å; T436-Y644 HydrophobicContact CG2-CE1 3.5Å; T436-Y644 VanDerWaalsContact CG2-CE1 3.5Å; T436-Y644 HydrophobicContact CG2-CE2 4.29Å; T436-Y644 HydrophobicContact CG2-CG 3.81Å; T436-Y644 PolarHBondContact O-OH 2.94Å; T436-V809 VanDerWaalsContact O-CG2 3.27Å; T436-V809 WeakPolarHBondContact O-CG2 3.48Å
437	E	98.8	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-82.8	165.3	172	75.7	-71	-152.3	0	0	113.7	W61 R379 L382 D431 G435 V441 A442 Y445	W61-E437 WeakPolarHBondContact O-CA 3.1Å; W61-E437 WeakPolarHBondContact O-CB 3.48Å; R379-E437 WeakPolarHBondContact CD-OE1 3.38Å; R379-E437 VanDerWaalsContact CD-OE2 3.24Å; R379-E437 WeakPolarHBondContact CD-OE2 3.41Å; R379-E437 IonicContact CZ-OE2 3.78Å; R379-E437 IonicContact NE-OE1 3.85Å; R379-E437 IonicContact NE-OE2 3.39Å; R379-E437 PolarHBondContact NE-OE2 3.44Å; R379-E437 PolarHBondContact NH2-O 2.96Å; L382-E437 VanDerWaalsContact CD2-OE1 3.25Å; L382-E437 WeakPolarHBondContact CD2-OE1 3.48Å; D431-E437 HydrophobicContact CB-CB 4.33Å; D431-E437 VanDerWaalsContact O-CB 3.27Å; D431-E437 WeakPolarHBondContact O-CB 3.41Å; D431-E437 VanDerWaalsContact O-CD 3.23Å; D431-E437 PolarHBondContact O-N 2.78Å; G435-E437 WeakPolarHBondContact CA-OE2 3.25Å; E437-V441 HydrophobicContact CB-CB 3.99Å; E437-V441 HydrophobicContact CB-CG1 4.02Å; E437-V441 HydrophobicContact CG-CB 3.86Å; E437-V441 HydrophobicContact CG-CG1 4.04Å; E437-A442 HydrophobicContact CG-CB 3.94Å; E437-A442 WeakPolarHBondContact OE1-CA 3.25Å; E437-A442 WeakPolarHBondContact OE1-CB 3.37Å; E437-Y445 HydrophobicContact CB-CE2 4.19Å; E437-Y445 HydrophobicContact CG-CD2 4.14Å; E437-Y445 HydrophobicContact CG-CE2 3.75Å
438	K	98.8	Very high	98.8	Very high	28 Å²	28	23 Å²	23	12%	0.122	11%	0.114	C	C	.	.			trans	-65.2	151.3	168.6	-73.9	-172.1	166.9	-61.1	0	111.7	W61 L62 I76 H440 V441 A442 V809 E811	W61-K438 PolarHBondContact O-N 3.26Å; L62-K438 HydrophobicContact CB-CD 4.17Å; L62-K438 HydrophobicContact CD2-CD 4.35Å; L62-K438 HydrophobicContact CD2-CG 4.18Å; L62-K438 WeakPolarHBondContact O-CD 3.22Å; I76-K438 HydrophobicContact CG2-CD 4.24Å; K438-H440 VanDerWaalsContact C-N 3.27Å; K438-H440 PolarHBondContact O-N 3.23Å; K438-H440 VanDerWaalsContact O-N 3.1Å; K438-V441 HydrophobicContact CB-CG2 4.3Å; K438-V441 WeakPolarHBondContact O-CA 3.41Å; K438-V441 WeakPolarHBondContact O-CB 3.19Å; K438-V441 PolarHBondContact O-N 3.38Å; K438-A442 PolarHBondContact O-N 3.04Å; K438-A442 VanDerWaalsContact O-N 3.12Å; K438-V809 WeakPolarHBondContact CE-O 3.18Å; K438-V809 HydrophobicContact CG-CG2 3.98Å; K438-V809 PolarHBondContact NZ-O 3.39Å; K438-E811 WeakPolarHBondContact CA-OE2 3.19Å; K438-E811 VanDerWaalsContact CD-OE1 3.27Å; K438-E811 WeakPolarHBondContact CD-OE1 3.39Å; K438-E811 HydrophobicContact CG-CG 4.49Å; K438-E811 VanDerWaalsContact CG-OE1 3.3Å; K438-E811 WeakPolarHBondContact CG-OE1 3.28Å; K438-E811 IonicContact NZ-OE1 3.97Å; K438-E811 PolarHBondContact NZ-OE1 2.91Å
439	Q	98.5	Very high	98.8	Very high	41 Å²	41	23.1 Å²	23.1	19%	0.192	11%	0.114	C	C	.	.	H	α-helix	trans	-56.5	-37.4	-173.8	-174.8	60.2	58.6	0	0	113.8	V441 A442 N443 E811	Q439-V441 VanDerWaalsContact C-N 3.26Å; Q439-V441 PolarHBondContact O-N 3.47Å; Q439-A442 WeakPolarHBondContact O-CB 3.46Å; Q439-A442 PolarHBondContact O-N 3.44Å; Q439-N443 PolarHBondContact NE2-OD1 3.42Å; Q439-N443 PolarHBondContact O-N 3.05Å; Q439-N443 VanDerWaalsContact O-N 3.1Å; Q439-N443 PolarHBondContact O-ND2 2.75Å; Q439-N443 PolarHBondContact O-OD1 3.34Å; Q439-E811 PolarHBondContact N-OE2 2.96Å
440	H	98.4	Very high	98.7	Very high	51 Å²	51	24.8 Å²	24.8	24%	0.236	13%	0.128	C	C	.	.	H	α-helix	trans	-71.2	-23.4	179.8	76.7	-84.8	0	0	0	113.2	L62 K438 D444	L62-H440 PolarHBondContact O-CE1 3.01Å; L62-H440 PolarHBondContact O-NE2 3.47Å; K438-H440 VanDerWaalsContact C-N 3.27Å; K438-H440 PolarHBondContact O-N 3.23Å; K438-H440 VanDerWaalsContact O-N 3.1Å; H440-D444 PolarHBondContact O-N 3.22Å
441	V	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-78.2	-41.1	174.2	-175.4	0	0	0	0	109.9	W61 K63 T64 E437 K438 Q439 N443 D444 Y445	W61-V441 WeakPolarHBondContact O-CG2 3.08Å; K63-V441 VanDerWaalsContact C-CG2 3.41Å; K63-V441 WeakPolarHBondContact O-CG2 3.33Å; T64-V441 HydrophobicContact CG2-CG2 4.36Å; E437-V441 HydrophobicContact CB-CB 3.99Å; E437-V441 HydrophobicContact CB-CG1 4.02Å; E437-V441 HydrophobicContact CG-CB 3.86Å; E437-V441 HydrophobicContact CG-CG1 4.04Å; K438-V441 HydrophobicContact CB-CG2 4.3Å; K438-V441 WeakPolarHBondContact O-CA 3.41Å; K438-V441 WeakPolarHBondContact O-CB 3.19Å; K438-V441 PolarHBondContact O-N 3.38Å; Q439-V441 VanDerWaalsContact C-N 3.26Å; Q439-V441 PolarHBondContact O-N 3.47Å; V441-N443 PolarHBondContact O-N 2.93Å; V441-D444 WeakPolarHBondContact O-CA 3.39Å; V441-D444 WeakPolarHBondContact O-CB 3.34Å; V441-D444 PolarHBondContact O-N 2.96Å; V441-Y445 HydrophobicContact CG1-CD2 4.27Å; V441-Y445 HydrophobicContact CG1-CE1 4.32Å; V441-Y445 HydrophobicContact CG1-CE2 3.63Å; V441-Y445 WeakPolarHBondContact O-CD2 3.41Å; V441-Y445 PolarHBondContact O-N 3.46Å
442	A	98.8	Very high	98.7	Very high	7 Å²	7	30.3 Å²	30.3	6%	0.058	15%	0.152	C	C	.	.	H	α-helix	trans	-54.3	-41.4	170.5	0	0	0	0	0	111.8	E437 K438 Q439 Y445 A446	E437-A442 HydrophobicContact CG-CB 3.94Å; E437-A442 WeakPolarHBondContact OE1-CA 3.25Å; E437-A442 WeakPolarHBondContact OE1-CB 3.37Å; K438-A442 PolarHBondContact O-N 3.04Å; K438-A442 VanDerWaalsContact O-N 3.12Å; Q439-A442 WeakPolarHBondContact O-CB 3.46Å; Q439-A442 PolarHBondContact O-N 3.44Å; A442-Y445 PolarHBondContact O-N 3.13Å; A442-A446 PolarHBondContact O-N 2.86Å
443	N	98.7	Very high	98.7	Very high	94 Å²	94	31.2 Å²	31.2	50%	0.503	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-36.2	175.2	-64	-12.2	0	0	0	112.3	Q439 V441 K447	Q439-N443 PolarHBondContact NE2-OD1 3.42Å; Q439-N443 PolarHBondContact O-N 3.05Å; Q439-N443 VanDerWaalsContact O-N 3.1Å; Q439-N443 PolarHBondContact O-ND2 2.75Å; Q439-N443 PolarHBondContact O-OD1 3.34Å; V441-N443 PolarHBondContact O-N 2.93Å; N443-K447 WeakPolarHBondContact O-CB 3.46Å; N443-K447 PolarHBondContact O-N 2.88Å
444	D	98.9	Very high	98.6	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.134	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-42.7	174.7	-172.4	63.1	0	0	0	111.6	T64 H440 V441 K447 R448	T64-D444 HydrophobicContact CG2-CB 3.65Å; H440-D444 PolarHBondContact O-N 3.22Å; V441-D444 WeakPolarHBondContact O-CA 3.39Å; V441-D444 WeakPolarHBondContact O-CB 3.34Å; V441-D444 PolarHBondContact O-N 2.96Å; D444-K447 WeakPolarHBondContact O-CB 3.38Å; D444-K447 PolarHBondContact O-N 3.21Å; D444-R448 WeakPolarHBondContact O-CG 3.38Å; D444-R448 PolarHBondContact O-N 3.16Å; D444-R448 IonicContact OD1-NE 2.76Å; D444-R448 IonicContact OD1-NH2 3.47Å; D444-R448 IonicContact OD2-CZ 3.58Å; D444-R448 VanDerWaalsContact OD2-CZ 3.26Å; D444-R448 IonicContact OD2-NE 3.4Å; D444-R448 PolarHBondContact OD2-NE 2.9Å; D444-R448 IonicContact OD2-NH2 2.79Å; D444-R448 PolarHBondContact OD2-NH2 3.33Å
445	Y	98.9	Very high	98.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-50	173.9	-64	-41	0	0	0	111.9	V59 G60 V65 L382 V426 A432 E437 V441 A442 K447 R448 L449	V59-Y445 PolarHBondContact O-OH 3.03Å; G60-Y445 WeakPolarHBondContact CA-OH 3.21Å; G60-Y445 PolarHBondContact O-OH 2.86Å; V65-Y445 HydrophobicContact CG2-CE1 4.25Å; L382-Y445 HydrophobicContact CD2-CD2 4.41Å; V426-Y445 HydrophobicContact CG1-CD1 3.74Å; V426-Y445 HydrophobicContact CG1-CE1 3.49Å; V426-Y445 VanDerWaalsContact CG1-CE1 3.49Å; A432-Y445 VanDerWaalsContact CA-CE2 3.48Å; A432-Y445 HydrophobicContact CB-CD1 4.43Å; A432-Y445 HydrophobicContact CB-CD2 3.89Å; A432-Y445 HydrophobicContact CB-CE1 4.09Å; A432-Y445 HydrophobicContact CB-CE2 3.48Å; A432-Y445 VanDerWaalsContact CB-CE2 3.48Å; A432-Y445 HydrophobicContact CB-CG 4.34Å; E437-Y445 HydrophobicContact CB-CE2 4.19Å; E437-Y445 HydrophobicContact CG-CD2 4.14Å; E437-Y445 HydrophobicContact CG-CE2 3.75Å; V441-Y445 HydrophobicContact CG1-CD2 4.27Å; V441-Y445 HydrophobicContact CG1-CE1 4.32Å; V441-Y445 HydrophobicContact CG1-CE2 3.63Å; V441-Y445 WeakPolarHBondContact O-CD2 3.41Å; V441-Y445 PolarHBondContact O-N 3.46Å; A442-Y445 PolarHBondContact O-N 3.13Å; Y445-K447 VanDerWaalsContact C-N 3.29Å; Y445-K447 PolarHBondContact O-N 2.75Å; Y445-R448 PolarHBondContact O-N 2.86Å; Y445-R448 VanDerWaalsContact O-N 3.16Å; Y445-L449 WeakPolarHBondContact O-CG 3.49Å; Y445-L449 PolarHBondContact O-N 3.18Å
446	A	98.7	Very high	98.5	Very high	33 Å²	33	39.8 Å²	39.8	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-58.7	-41.1	176.3	0	0	0	0	0	111.8	Y385 A442 R448 L449 A450	Y385-A446 HydrophobicContact CD1-CB 4.28Å; Y385-A446 HydrophobicContact CE1-CB 4.2Å; Y385-A446 WeakPolarHBondContact CE1-O 3.27Å; A442-A446 PolarHBondContact O-N 2.86Å; A446-R448 PolarHBondContact O-N 2.75Å; A446-L449 PolarHBondContact O-N 3.46Å; A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3Å
447	K	98.8	Very high	98.5	Very high	150 Å²	150	41.7 Å²	41.7	65%	0.652	20%	0.204	S	C	*	.	H	α-helix	trans	-62.6	-41.8	176.1	-178.7	-176.9	177.7	-176	0	112.5	N443 D444 Y445 A450 K451	N443-K447 WeakPolarHBondContact O-CB 3.46Å; N443-K447 PolarHBondContact O-N 2.88Å; D444-K447 WeakPolarHBondContact O-CB 3.38Å; D444-K447 PolarHBondContact O-N 3.21Å; Y445-K447 VanDerWaalsContact C-N 3.29Å; Y445-K447 PolarHBondContact O-N 2.75Å; K447-A450 PolarHBondContact O-N 2.93Å; K447-K451 PolarHBondContact O-N 3.35Å
448	R	98.8	Very high	98.4	Very high	46 Å²	46	43.6 Å²	43.6	17%	0.174	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-45.1	177.2	-71.1	175	-169.7	-81.2	-12.1	111.4	D66 A423 D444 Y445 A446 K451 G452	D66-R448 IonicContact OD1-NH1 3.52Å; D66-R448 IonicContact OD1-NH2 2.63Å; D66-R448 PolarHBondContact OD1-NH2 2.82Å; D66-R448 IonicContact OD2-CZ 2.86Å; D66-R448 IonicContact OD2-NH1 2.63Å; D66-R448 IonicContact OD2-NH2 3.38Å; D66-R448 PolarHBondContact OD2-NH2 2.77Å; A423-R448 HydrophobicContact CB-CB 3.97Å; D444-R448 WeakPolarHBondContact O-CG 3.38Å; D444-R448 PolarHBondContact O-N 3.16Å; D444-R448 IonicContact OD1-NE 2.76Å; D444-R448 IonicContact OD1-NH2 3.47Å; D444-R448 IonicContact OD2-CZ 3.58Å; D444-R448 VanDerWaalsContact OD2-CZ 3.26Å; D444-R448 IonicContact OD2-NE 3.4Å; D444-R448 PolarHBondContact OD2-NE 2.9Å; D444-R448 IonicContact OD2-NH2 2.79Å; D444-R448 PolarHBondContact OD2-NH2 3.33Å; Y445-R448 PolarHBondContact O-N 2.86Å; Y445-R448 VanDerWaalsContact O-N 3.16Å; A446-R448 PolarHBondContact O-N 2.75Å; R448-K451 PolarHBondContact O-N 2.98Å; R448-G452 PolarHBondContact O-N 3.38Å
449	L	98.8	Very high	98.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-46.3	176	-66.9	176.3	0	0	0	111.3	Y385 L420 A423 M424 A427 Y445 A446 K451 G452 W453	Y385-L449 HydrophobicContact CD1-CB 4.21Å; Y385-L449 HydrophobicContact CD1-CD1 3.83Å; Y385-L449 HydrophobicContact CE1-CB 3.73Å; Y385-L449 HydrophobicContact CE1-CD1 4.22Å; Y385-L449 HydrophobicContact CG-CD1 4.29Å; L420-L449 HydrophobicContact CD1-CD2 4.38Å; A423-L449 HydrophobicContact CB-CD2 4.15Å; M424-L449 HydrophobicContact CG-CD2 4.3Å; M424-L449 HydrophobicContact SD-CD2 3.56Å; M424-L449 VanDerWaalsContact SD-CD2 3.56Å; A427-L449 HydrophobicContact CB-CD2 4.35Å; Y445-L449 WeakPolarHBondContact O-CG 3.49Å; Y445-L449 PolarHBondContact O-N 3.18Å; A446-L449 PolarHBondContact O-N 3.46Å; L449-K451 PolarHBondContact O-N 3.27Å; L449-G452 WeakPolarHBondContact O-CA 3.39Å; L449-G452 PolarHBondContact O-N 2.8Å; L449-G452 VanDerWaalsContact O-N 3.08Å; L449-W453 PolarHBondContact O-N 3.13Å
450	A	98.6	Very high	98.4	Very high	35 Å²	35	40.3 Å²	40.3	29%	0.289	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-43.3	177.6	0	0	0	0	0	112.5	Y385 A446 K447 G452 W453 Q454	Y385-A450 WeakPolarHBondContact OH-CA 2.92Å; Y385-A450 WeakPolarHBondContact OH-CB 3.34Å; Y385-A450 PolarHBondContact OH-N 2.99Å; A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3Å; K447-A450 PolarHBondContact O-N 2.93Å; A450-G452 VanDerWaalsContact C-N 3.34Å; A450-G452 PolarHBondContact O-N 3.08Å; A450-W453 WeakPolarHBondContact O-CB 3.39Å; A450-W453 PolarHBondContact O-N 3.14Å; A450-Q454 PolarHBondContact O-N 3.29Å
451	K	98.6	Very high	98.3	Very high	118 Å²	118	38.2 Å²	38.2	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-62.5	-41.9	174.1	-175.1	178.6	178.4	-178.9	0	111.6	T419 K447 R448 L449 W453 Q454 H455	T419-K451 HydrophobicContact CG2-CG 4.36Å; K447-K451 PolarHBondContact O-N 3.35Å; R448-K451 PolarHBondContact O-N 2.98Å; L449-K451 PolarHBondContact O-N 3.27Å; K451-W453 VanDerWaalsContact C-N 3.31Å; K451-W453 PolarHBondContact O-N 3.32Å; K451-Q454 PolarHBondContact O-N 2.99Å; K451-H455 PolarHBondContact O-CD2 2.86Å; K451-H455 PolarHBondContact O-N 2.87Å
452	G	98.4	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-39.8	175.2	0	0	0	0	0	112.9	R448 L449 A450 Q454 H455 C456	R448-G452 PolarHBondContact O-N 3.38Å; L449-G452 WeakPolarHBondContact O-CA 3.39Å; L449-G452 PolarHBondContact O-N 2.8Å; L449-G452 VanDerWaalsContact O-N 3.08Å; A450-G452 VanDerWaalsContact C-N 3.34Å; A450-G452 PolarHBondContact O-N 3.08Å; G452-Q454 PolarHBondContact O-N 3.38Å; G452-H455 PolarHBondContact O-N 3.03Å; G452-C456 WeakPolarHBondContact O-CB 3.35Å; G452-C456 PolarHBondContact O-N 2.93Å
453	W	98.1	Very high	98.2	Very high	21 Å²	21	38.1 Å²	38.1	8%	0.08	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-44	175.7	-77	31.2	0	0	0	112.1	Y385 I388 S389 N392 L449 A450 K451 H455 C456 Q457 D478	Y385-W453 HydrophobicContact CD2-CH2 4.13Å; Y385-W453 AromaticContact CD2-CZ2 3.75Å; Y385-W453 HydrophobicContact CD2-CZ2 3.75Å; Y385-W453 HydrophobicContact CE2-CD2 4.23Å; Y385-W453 AromaticContact CE2-CE2 3.66Å; Y385-W453 HydrophobicContact CE2-CE3 4.47Å; Y385-W453 AromaticContact CE2-CH2 3.66Å; Y385-W453 HydrophobicContact CE2-CH2 3.66Å; Y385-W453 AromaticContact CE2-CZ2 3.35Å; Y385-W453 HydrophobicContact CE2-CZ2 3.35Å; Y385-W453 HydrophobicContact CE2-CZ3 4.21Å; I388-W453 HydrophobicContact CB-CH2 4.35Å; I388-W453 HydrophobicContact CB-CZ2 4.09Å; I388-W453 HydrophobicContact CG2-CH2 3.53Å; I388-W453 HydrophobicContact CG2-CZ2 3.52Å; S389-W453 PolarHBondContact OG-NE1 3.13Å; N392-W453 VanDerWaalsContact ND2-CZ2 3.28Å; N392-W453 WeakPolarHBondContact ND2-CZ2 3.41Å; L449-W453 PolarHBondContact O-N 3.13Å; A450-W453 WeakPolarHBondContact O-CB 3.39Å; A450-W453 PolarHBondContact O-N 3.14Å; K451-W453 VanDerWaalsContact C-N 3.31Å; K451-W453 PolarHBondContact O-N 3.32Å; W453-H455 PolarHBondContact O-N 3.31Å; W453-C456 CarbonylContact O-C 3.49Å; W453-C456 PolarHBondContact O-N 3.24Å; W453-Q457 WeakPolarHBondContact O-CB 3.33Å; W453-Q457 VanDerWaalsContact O-CG 3.27Å; W453-Q457 WeakPolarHBondContact O-CG 3.45Å; W453-Q457 PolarHBondContact O-N 2.89Å; W453-D478 HydrophobicContact CZ3-CB 4.08Å
454	Q	97.8	Very high	98.1	Very high	120 Å²	120	33.7 Å²	33.7	56%	0.561	17%	0.167	S	C	*	.	H	α-helix	trans	-58.8	-47.6	179.7	-68.5	172.1	-14.8	0	0	112	A450 K451 G452 C456 Q457 V458	A450-Q454 PolarHBondContact O-N 3.29Å; K451-Q454 PolarHBondContact O-N 2.99Å; G452-Q454 PolarHBondContact O-N 3.38Å; Q454-C456 VanDerWaalsContact C-N 3.33Å; Q454-C456 PolarHBondContact O-N 3.37Å; Q454-Q457 PolarHBondContact O-N 2.78Å; Q454-V458 WeakPolarHBondContact O-CG2 3.32Å; Q454-V458 PolarHBondContact O-N 3.29Å
455	H	98	Very high	97.9	Very high	55 Å²	55	33 Å²	33	26%	0.255	17%	0.165	S	C	.	.	H	α-helix	trans	-63.4	-40.8	176.8	-79.7	-110.4	0	0	0	111.9	G415 D416 K451 G452 W453 V458 L459	G415-H455 WeakPolarHBondContact CA-O 3.47Å; D416-H455 PolarHBondContact N-O 2.9Å; D416-H455 IonicContact OD2-CE1 2.76Å; D416-H455 IonicContact OD2-CG 3.67Å; D416-H455 IonicContact OD2-ND1 3.32Å; D416-H455 PolarHBondContact OD2-ND1 3.07Å; K451-H455 PolarHBondContact O-CD2 2.86Å; K451-H455 PolarHBondContact O-N 2.87Å; G452-H455 PolarHBondContact O-N 3.03Å; W453-H455 PolarHBondContact O-N 3.31Å; H455-V458 PolarHBondContact O-N 3.38Å; H455-L459 PolarHBondContact O-N 3.05Å; H455-L459 VanDerWaalsContact O-N 3.16Å
456	C	97.4	Very high	97.7	Very high	6 Å²	6	36 Å²	36	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-42	178.3	-178.4	0	0	0	0	112.6	C396 L420 G452 W453 Q454 V458 L459 V460	C396-C456 HydrophobicContact CB-CB 4.25Å; C396-C456 WeakPolarHBondContact CB-SG 3.46Å; C396-C456 WeakPolarHBondContact SG-CA 3.39Å; C396-C456 WeakPolarHBondContact SG-CB 3.19Å; C396-C456 CovalentContact SG-SG 2.03Å; C396-C456 PolarHBondContact SG-SG 2.92Å; L420-C456 HydrophobicContact CD2-CB 4.12Å; G452-C456 WeakPolarHBondContact O-CB 3.35Å; G452-C456 PolarHBondContact O-N 2.93Å; W453-C456 CarbonylContact O-C 3.49Å; W453-C456 PolarHBondContact O-N 3.24Å; Q454-C456 VanDerWaalsContact C-N 3.33Å; Q454-C456 PolarHBondContact O-N 3.37Å; C456-V458 VanDerWaalsContact C-N 3.29Å; C456-V458 PolarHBondContact O-N 3.01Å; C456-L459 WeakPolarHBondContact O-CB 3.44Å; C456-L459 PolarHBondContact O-N 3.18Å; C456-L459 VanDerWaalsContact O-N 3.1Å; C456-V460 WeakPolarHBondContact O-CB 3.26Å; C456-V460 VanDerWaalsContact O-CG2 3.29Å; C456-V460 WeakPolarHBondContact O-CG2 3.41Å; C456-V460 PolarHBondContact O-N 3.03Å
457	Q	97.8	Very high	97.5	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-38.1	177.3	-77	171.3	-9	0	0	111.7	W453 Q454 S461 Y476 D478	W453-Q457 WeakPolarHBondContact O-CB 3.33Å; W453-Q457 VanDerWaalsContact O-CG 3.27Å; W453-Q457 WeakPolarHBondContact O-CG 3.45Å; W453-Q457 PolarHBondContact O-N 2.89Å; Q454-Q457 PolarHBondContact O-N 2.78Å; Q457-S461 VanDerWaalsContact O-CB 3.23Å; Q457-S461 WeakPolarHBondContact O-CB 3.48Å; Q457-S461 PolarHBondContact O-N 3.16Å; Q457-S461 PolarHBondContact O-OG 3.49Å; Q457-Y476 HydrophobicContact CB-CD2 3.86Å; Q457-Y476 HydrophobicContact CB-CE2 3.65Å; Q457-Y476 HydrophobicContact CB-CG 4.44Å; Q457-Y476 HydrophobicContact CG-CD1 4.03Å; Q457-Y476 HydrophobicContact CG-CD2 3.73Å; Q457-Y476 HydrophobicContact CG-CE1 4.16Å; Q457-Y476 HydrophobicContact CG-CE2 3.89Å; Q457-Y476 HydrophobicContact CG-CG 3.8Å; Q457-Y476 PolarHBondContact O-OH 2.91Å; Q457-D478 PolarHBondContact NE2-OD1 3.26Å; Q457-D478 PolarHBondContact NE2-OD2 3Å
458	V	97.9	Very high	97.3	Very high	40 Å²	40	28.7 Å²	28.7	24%	0.242	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-46.9	172.2	176.2	0	0	0	0	111	Q454 H455 C456 S461 N462	Q454-V458 WeakPolarHBondContact O-CG2 3.32Å; Q454-V458 PolarHBondContact O-N 3.29Å; H455-V458 PolarHBondContact O-N 3.38Å; C456-V458 VanDerWaalsContact C-N 3.29Å; C456-V458 PolarHBondContact O-N 3.01Å; V458-S461 PolarHBondContact O-N 2.92Å; V458-N462 PolarHBondContact O-N 3.48Å; V458-N462 PolarHBondContact O-ND2 2.77Å
459	L	97.8	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-47.6	178.1	-178.7	151.1	0	0	0	112	C396 E400 S407 R408 H455 C456 S461 N462 S463	C396-L459 WeakPolarHBondContact O-CD2 3.31Å; E400-L459 HydrophobicContact CB-CD1 4.1Å; E400-L459 HydrophobicContact CB-CD2 3.9Å; E400-L459 HydrophobicContact CG-CD1 4.02Å; S407-L459 WeakPolarHBondContact O-CA 3.1Å; R408-L459 HydrophobicContact CG-CD1 4.39Å; H455-L459 PolarHBondContact O-N 3.05Å; H455-L459 VanDerWaalsContact O-N 3.16Å; C456-L459 WeakPolarHBondContact O-CB 3.44Å; C456-L459 PolarHBondContact O-N 3.18Å; C456-L459 VanDerWaalsContact O-N 3.1Å; L459-S461 VanDerWaalsContact C-N 3.29Å; L459-S461 PolarHBondContact O-N 3.39Å; L459-N462 PolarHBondContact O-N 2.81Å; L459-S463 WeakPolarHBondContact O-CB 3.41Å; L459-S463 PolarHBondContact O-N 2.88Å; L459-S463 PolarHBondContact O-OG 2.97Å
460	V	97.8	Very high	96.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-42.9	176.8	167.5	0	0	0	0	109.7	L399 C456 S463 L464 Y476 L856	L399-V460 HydrophobicContact CD1-CB 4.26Å; L399-V460 HydrophobicContact CD1-CG1 3.73Å; L399-V460 HydrophobicContact CD1-CG2 3.99Å; C456-V460 WeakPolarHBondContact O-CB 3.26Å; C456-V460 VanDerWaalsContact O-CG2 3.29Å; C456-V460 WeakPolarHBondContact O-CG2 3.41Å; C456-V460 PolarHBondContact O-N 3.03Å; V460-S463 PolarHBondContact O-N 3.34Å; V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.22Å; V460-L464 WeakPolarHBondContact O-CB 3.43Å; V460-L464 WeakPolarHBondContact O-CG 3.32Å; V460-L464 PolarHBondContact O-N 3.03Å; V460-Y476 HydrophobicContact CG1-CE1 4.36Å; V460-Y476 WeakPolarHBondContact CG1-OH 3.38Å; V460-L856 HydrophobicContact CG1-CD2 3.68Å; V460-L856 HydrophobicContact CG2-CD2 4.18Å
461	S	97.8	Very high	96.5	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-44.1	178.2	-65.1	0	0	0	0	112	F412 Q457 V458 L459 A465 R474 Y476	F412-S461 WeakPolarHBondContact CE2-O 3.26Å; Q457-S461 VanDerWaalsContact O-CB 3.23Å; Q457-S461 WeakPolarHBondContact O-CB 3.48Å; Q457-S461 PolarHBondContact O-N 3.16Å; Q457-S461 PolarHBondContact O-OG 3.49Å; V458-S461 PolarHBondContact O-N 2.92Å; L459-S461 VanDerWaalsContact C-N 3.29Å; L459-S461 PolarHBondContact O-N 3.39Å; S461-A465 VanDerWaalsContact O-CB 3.32Å; S461-A465 WeakPolarHBondContact O-CB 3.34Å; S461-A465 PolarHBondContact O-N 2.97Å; S461-R474 PolarHBondContact O-NH1 3.11Å; S461-Y476 WeakPolarHBondContact OG-CE2 3.4Å; S461-Y476 PolarHBondContact OG-OH 3.23Å
462	N	97.6	Very high	96.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-47.4	175.2	-72.3	-27.8	0	0	0	111.5	S407 G410 L411 F412 G413 V458 L459 A465 S466	S407-N462 WeakPolarHBondContact O-CB 3.35Å; S407-N462 PolarHBondContact O-ND2 3.21Å; S407-N462 VanDerWaalsContact O-ND2 3.16Å; G410-N462 VanDerWaalsContact C-OD1 3.26Å; G410-N462 WeakPolarHBondContact CA-OD1 3.39Å; G410-N462 PolarHBondContact N-ND2 3.17Å; L411-N462 PolarHBondContact N-OD1 3.15Å; F412-N462 PolarHBondContact N-OD1 3.49Å; G413-N462 PolarHBondContact O-ND2 3.22Å; V458-N462 PolarHBondContact O-N 3.48Å; V458-N462 PolarHBondContact O-ND2 2.77Å; L459-N462 PolarHBondContact O-N 2.81Å; N462-A465 PolarHBondContact O-N 3.16Å; N462-S466 PolarHBondContact O-N 3.24Å; N462-S466 VanDerWaalsContact O-N 3.08Å
463	S	96.8	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-51.3	-179.1	-52.4	0	0	0	0	111.1	L399 S407 L459 V460 A465 S466 L467	L399-S463 WeakPolarHBondContact O-CB 3.43Å; L399-S463 PolarHBondContact O-OG 3.41Å; L399-S463 VanDerWaalsContact O-OG 3.06Å; S407-S463 WeakPolarHBondContact CB-OG 3.33Å; S407-S463 PolarHBondContact OG-OG 2.98Å; L459-S463 WeakPolarHBondContact O-CB 3.41Å; L459-S463 PolarHBondContact O-N 2.88Å; L459-S463 PolarHBondContact O-OG 2.97Å; V460-S463 PolarHBondContact O-N 3.34Å; S463-A465 VanDerWaalsContact C-N 3.28Å; S463-A465 PolarHBondContact O-N 2.75Å; S463-S466 WeakPolarHBondContact O-CB 3.44Å; S463-S466 PolarHBondContact O-N 3.23Å; S463-L467 WeakPolarHBondContact O-CG 3.34Å; S463-L467 PolarHBondContact O-N 3.04Å
464	L	96.4	Very high	95.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-29.1	179.6	-68.5	177.4	0	0	0	111.3	L399 V460 L467 T468 R474 Y565	L399-L464 HydrophobicContact CD1-CD2 4.2Å; L399-L464 HydrophobicContact CD1-CG 4.16Å; L399-L464 HydrophobicContact CD2-CD2 3.8Å; L399-L464 HydrophobicContact CD2-CG 4.38Å; V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.22Å; V460-L464 WeakPolarHBondContact O-CB 3.43Å; V460-L464 WeakPolarHBondContact O-CG 3.32Å; V460-L464 PolarHBondContact O-N 3.03Å; L464-L467 PolarHBondContact O-N 3.35Å; L464-T468 VanDerWaalsContact O-CB 3.28Å; L464-T468 WeakPolarHBondContact O-CB 3.4Å; L464-T468 WeakPolarHBondContact O-CG2 3.46Å; L464-T468 PolarHBondContact O-N 3.37Å; L464-T468 PolarHBondContact O-OG1 3.04Å; L464-R474 VanDerWaalsContact C-CZ 3.47Å; L464-R474 VanDerWaalsContact C-NH1 3.3Å; L464-R474 PolarHBondContact O-NH2 3.06Å; L464-Y565 HydrophobicContact CD2-CD1 3.67Å; L464-Y565 HydrophobicContact CD2-CE1 4.17Å; L464-Y565 HydrophobicContact CD2-CG 4.34Å
465	A	95.5	Very high	95.8	Very high	11 Å²	11	32.5 Å²	32.5	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-39.2	177.6	0	0	0	0	0	111.4	F412 S461 N462 S463 G469 S470 R474	F412-A465 HydrophobicContact CE2-CB 3.67Å; F412-A465 HydrophobicContact CZ-CB 4.36Å; S461-A465 VanDerWaalsContact O-CB 3.32Å; S461-A465 WeakPolarHBondContact O-CB 3.34Å; S461-A465 PolarHBondContact O-N 2.97Å; N462-A465 PolarHBondContact O-N 3.16Å; S463-A465 VanDerWaalsContact C-N 3.28Å; S463-A465 PolarHBondContact O-N 2.75Å; A465-G469 WeakPolarHBondContact O-CA 3.34Å; A465-G469 PolarHBondContact O-N 3Å; A465-S470 WeakPolarHBondContact CA-O 3.22Å; A465-S470 WeakPolarHBondContact CB-O 3.05Å; A465-S470 PolarHBondContact O-N 3.3Å; A465-R474 VanDerWaalsContact CA-NH1 3.3Å
466	S	94.4	Very high	95.8	Very high	68 Å²	68	31.5 Å²	31.5	48%	0.476	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-50.6	171	-171.4	0	0	0	0	111.1	N462 S463 G469	N462-S466 PolarHBondContact O-N 3.24Å; N462-S466 VanDerWaalsContact O-N 3.08Å; S463-S466 WeakPolarHBondContact O-CB 3.44Å; S463-S466 PolarHBondContact O-N 3.23Å; S466-G469 PolarHBondContact O-N 2.69Å
467	L	94.9	Very high	95.7	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-68.4	-37.1	-177	-66.2	170.6	0	0	0	113.4	L399 L402 S463 L464 Y565 F872	L399-L467 HydrophobicContact CD2-CD1 3.98Å; L402-L467 HydrophobicContact CB-CD1 4.36Å; S463-L467 WeakPolarHBondContact O-CG 3.34Å; S463-L467 PolarHBondContact O-N 3.04Å; L464-L467 PolarHBondContact O-N 3.35Å; L467-Y565 HydrophobicContact CB-CE1 3.92Å; L467-Y565 PolarHBondContact O-OH 3.48Å; L467-F872 HydrophobicContact CD1-CD1 4.32Å; L467-F872 HydrophobicContact CD1-CE1 4.1Å; L467-F872 HydrophobicContact CD2-CD2 4.43Å; L467-F872 HydrophobicContact CD2-CE1 4.34Å; L467-F872 HydrophobicContact CD2-CE2 4.02Å; L467-F872 HydrophobicContact CD2-CZ 3.97Å
468	T	94.8	Very high	95.6	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-82.7	-20.8	178.8	63.8	0	0	0	0	113.3	L464 S470 R474 Y565 T868 R869	L464-T468 VanDerWaalsContact O-CB 3.28Å; L464-T468 WeakPolarHBondContact O-CB 3.4Å; L464-T468 WeakPolarHBondContact O-CG2 3.46Å; L464-T468 PolarHBondContact O-N 3.37Å; L464-T468 PolarHBondContact O-OG1 3.04Å; T468-S470 PolarHBondContact O-N 2.92Å; T468-S470 WeakPolarHBondContact OG1-CB 3.41Å; T468-S470 PolarHBondContact OG1-N 2.85Å; T468-R474 PolarHBondContact OG1-NH2 3Å; T468-R474 VanDerWaalsContact OG1-NH2 3.15Å; T468-Y565 WeakPolarHBondContact CA-OH 3.35Å; T468-Y565 HydrophobicContact CG2-CE1 4.02Å; T468-Y565 HydrophobicContact CG2-CE2 3.63Å; T468-Y565 WeakPolarHBondContact CG2-OH 3.41Å; T468-Y565 PolarHBondContact N-OH 3.1Å; T468-T868 WeakPolarHBondContact O-CA 3.42Å; T468-R869 PolarHBondContact O-N 3.43Å
469	G	93.9	Very high	95.4	Very high	65 Å²	65	38 Å²	38	67%	0.67	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	19.7	-167.8	0	0	0	0	0	113.5	A465 S466	A465-G469 WeakPolarHBondContact O-CA 3.34Å; A465-G469 PolarHBondContact O-N 3Å; S466-G469 PolarHBondContact O-N 2.69Å
470	S	93.1	Very high	95.4	Very high	12 Å²	12	40 Å²	40	8%	0.084	23%	0.232	C	C	.	.			trans	-111.6	132.7	-179.4	176.7	0	0	0	0	111.6	A465 T468 A472	A465-S470 WeakPolarHBondContact CA-O 3.22Å; A465-S470 WeakPolarHBondContact CB-O 3.05Å; A465-S470 PolarHBondContact O-N 3.3Å; T468-S470 PolarHBondContact O-N 2.92Å; T468-S470 WeakPolarHBondContact OG1-CB 3.41Å; T468-S470 PolarHBondContact OG1-N 2.85Å; S470-A472 VanDerWaalsContact C-N 3.35Å; S470-A472 WeakPolarHBondContact OG-CB 3.28Å; S470-A472 PolarHBondContact OG-N 3.42Å
471	S	92.2	Very high	95.2	Very high	93 Å²	93	44.3 Å²	44.3	65%	0.65	26%	0.255	S	S	*	.			trans	-91.7	6.9	174.5	63	0	0	0	0	113.5	L411	L411-S471 VanDerWaalsContact CD2-CA 3.44Å; L411-S471 VanDerWaalsContact CD2-CB 3.46Å
472	A	93	Very high	95.2	Very high	31 Å²	31	44.3 Å²	44.3	26%	0.256	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-63.4	136.3	-179.4	0	0	0	0	0	111	F412 S470 R474 T860	F412-A472 VanDerWaalsContact CZ-O 3.3Å; F412-A472 WeakPolarHBondContact CZ-O 3.45Å; S470-A472 VanDerWaalsContact C-N 3.35Å; S470-A472 WeakPolarHBondContact OG-CB 3.28Å; S470-A472 PolarHBondContact OG-N 3.42Å; A472-R474 PolarHBondContact O-N 3.43Å; A472-T860 HydrophobicContact CB-CG2 4.01Å
473	E	93.8	Very high	95.2	Very high	148 Å²	148	44.2 Å²	44.2	69%	0.692	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-60.3	132.4	175.5	-175.5	176.8	-172.9	0	0	110.4	T860	E473-T860 WeakPolarHBondContact O-CG2 3.34Å
474	R	94.7	Very high	95.2	Very high	21 Å²	21	44.7 Å²	44.7	8%	0.079	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-99.6	130.8	178.4	-72.9	-170.9	174.3	90.1	5	111	S461 L464 A465 T468 A472 Y476 F859 T860	S461-R474 PolarHBondContact O-NH1 3.11Å; L464-R474 VanDerWaalsContact C-CZ 3.47Å; L464-R474 VanDerWaalsContact C-NH1 3.3Å; L464-R474 PolarHBondContact O-NH2 3.06Å; A465-R474 VanDerWaalsContact CA-NH1 3.3Å; T468-R474 PolarHBondContact OG1-NH2 3Å; T468-R474 VanDerWaalsContact OG1-NH2 3.15Å; A472-R474 PolarHBondContact O-N 3.43Å; R474-Y476 HydrophobicContact CB-CE2 4.37Å; R474-F859 CarbonylContact C-O 3.58Å; R474-F859 WeakPolarHBondContact CA-O 3.15Å; R474-T860 HydrophobicContact CG-CG2 4.15Å
475	I	96.6	Very high	95.3	Very high	51 Å²	51	44.6 Å²	44.6	26%	0.262	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-110.4	135.6	179.2	-66.1	161.5	0	0	0	108.5	L487 F859	I475-L487 HydrophobicContact CB-CD2 4.33Å; I475-L487 HydrophobicContact CD1-CB 4.22Å; I475-L487 HydrophobicContact CD1-CD1 4.07Å; I475-L487 HydrophobicContact CD1-CD2 3.86Å; I475-L487 HydrophobicContact CD1-CG 4.27Å; I475-L487 HydrophobicContact CG2-CB 4.27Å; I475-F859 PolarHBondContact N-O 2.93Å; I475-F859 WeakPolarHBondContact O-CD2 3.22Å; I475-F859 PolarHBondContact O-N 2.88Å
476	Y	96.8	Very high	95.3	Very high	34 Å²	34	48.5 Å²	48.5	13%	0.133	28%	0.281	C	S	.	.			trans	-111.3	139.2	175.3	-63.2	-90.6	0	0	0	109.5	Q457 V460 S461 R474 L856	Q457-Y476 HydrophobicContact CB-CD2 3.86Å; Q457-Y476 HydrophobicContact CB-CE2 3.65Å; Q457-Y476 HydrophobicContact CB-CG 4.44Å; Q457-Y476 HydrophobicContact CG-CD1 4.03Å; Q457-Y476 HydrophobicContact CG-CD2 3.73Å; Q457-Y476 HydrophobicContact CG-CE1 4.16Å; Q457-Y476 HydrophobicContact CG-CE2 3.89Å; Q457-Y476 HydrophobicContact CG-CG 3.8Å; Q457-Y476 PolarHBondContact O-OH 2.91Å; V460-Y476 HydrophobicContact CG1-CE1 4.36Å; V460-Y476 WeakPolarHBondContact CG1-OH 3.38Å; S461-Y476 WeakPolarHBondContact OG-CE2 3.4Å; S461-Y476 PolarHBondContact OG-OH 3.23Å; R474-Y476 HydrophobicContact CB-CE2 4.37Å; Y476-L856 HydrophobicContact CE1-CD2 4.43Å
477	C	96.4	Very high	95.4	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	26%	0.261	C	S	.	.			trans	-115.7	88.8	-180	-72.1	0	0	0	0	110.4	Y479 L480 C485 F859	C477-Y479 PolarHBondContact O-N 2.92Å; C477-L480 HydrophobicContact CB-CD1 4.36Å; C477-L480 HydrophobicContact CB-CD2 4.11Å; C477-L480 HydrophobicContact CB-CG 3.93Å; C477-L480 WeakPolarHBondContact O-CG 3.2Å; C477-C485 HydrophobicContact CB-CB 3.57Å; C477-C485 WeakPolarHBondContact CB-SG 3.21Å; C477-C485 WeakPolarHBondContact SG-CA 3.3Å; C477-C485 WeakPolarHBondContact SG-CB 3.18Å; C477-C485 CovalentContact SG-SG 2.02Å; C477-C485 PolarHBondContact SG-SG 3.14Å; C477-F859 HydrophobicContact CB-CE2 4Å
478	D	94.4	Very high	95.5	Very high	77 Å²	77	44.7 Å²	44.7	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.6	-174.7	-62.3	-28.9	0	0	0	113.5	W453 Q457	W453-D478 HydrophobicContact CZ3-CB 4.08Å; Q457-D478 PolarHBondContact NE2-OD1 3.26Å; Q457-D478 PolarHBondContact NE2-OD2 3Å
479	Y	95.8	Very high	95.6	Very high	133 Å²	133	44.9 Å²	44.9	52%	0.522	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	23.3	-175.6	-60.8	-70.5	0	0	0	113.8	C477 N481 V482 S483 V484	C477-Y479 PolarHBondContact O-N 2.92Å; Y479-N481 PolarHBondContact O-N 2.82Å; Y479-V482 VanDerWaalsContact O-CG2 3.27Å; Y479-V482 WeakPolarHBondContact O-CG2 3.32Å; Y479-V482 PolarHBondContact O-N 3.01Å; Y479-V482 VanDerWaalsContact O-N 3.07Å; Y479-S483 PolarHBondContact O-N 3.12Å; Y479-V484 CarbonylContact C-O 3.59Å; Y479-V484 PolarHBondContact O-N 2.92Å; Y479-V484 VanDerWaalsContact O-N 3.16Å
480	L	96.2	Very high	95.6	Very high	43 Å²	43	46 Å²	46	23%	0.225	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.6	177.5	-73	172.3	0	0	0	113.1	C477 V482 S483 C485 L512 P513 L857 F859	C477-L480 HydrophobicContact CB-CD1 4.36Å; C477-L480 HydrophobicContact CB-CD2 4.11Å; C477-L480 HydrophobicContact CB-CG 3.93Å; C477-L480 WeakPolarHBondContact O-CG 3.2Å; L480-V482 PolarHBondContact O-N 2.81Å; L480-S483 PolarHBondContact O-N 3.43Å; L480-C485 HydrophobicContact CD2-CB 4.02Å; L480-L512 HydrophobicContact CD2-CD2 4.25Å; L480-P513 HydrophobicContact CD2-CG 4.33Å; L480-L857 HydrophobicContact CD1-CD1 3.99Å; L480-F859 HydrophobicContact CD1-CZ 4.48Å
481	N	95	Very high	95.7	Very high	91 Å²	91	46.3 Å²	46.3	49%	0.487	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.1	-20.9	176.9	70.2	-24.1	0	0	0	113.8	Y479 R827	Y479-N481 PolarHBondContact O-N 2.82Å; N481-R827 VanDerWaalsContact O-CD 3.3Å; N481-R827 WeakPolarHBondContact O-CD 3.23Å; N481-R827 PolarHBondContact O-NH1 3.2Å
482	V	96.3	Very high	95.8	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.036	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-115.8	21	175.7	-62.9	0	0	0	0	111.6	Y479 L480 V484 V543 R544	Y479-V482 VanDerWaalsContact O-CG2 3.27Å; Y479-V482 WeakPolarHBondContact O-CG2 3.32Å; Y479-V482 PolarHBondContact O-N 3.01Å; Y479-V482 VanDerWaalsContact O-N 3.07Å; L480-V482 PolarHBondContact O-N 2.81Å; V482-V484 HydrophobicContact CG2-CB 4.47Å; V482-V484 HydrophobicContact CG2-CG2 4Å; V482-V484 PolarHBondContact O-N 2.74Å; V482-V543 HydrophobicContact CG1-CB 4.46Å; V482-V543 HydrophobicContact CG1-CG1 3.56Å; V482-R544 HydrophobicContact CB-CB 4.48Å; V482-R544 WeakPolarHBondContact O-CB 3.42Å; V482-R544 VanDerWaalsContact O-CD 3.29Å; V482-R544 WeakPolarHBondContact O-CD 3.31Å
483	S	97.3	Very high	96	Very high	2 Å²	2	47 Å²	47	1%	0.014	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	50.5	177.4	-41.9	0	0	0	0	112.5	Y479 L480 P513 T540 R544 E553	Y479-S483 PolarHBondContact O-N 3.12Å; L480-S483 PolarHBondContact O-N 3.43Å; S483-P513 VanDerWaalsContact O-CB 3.27Å; S483-P513 WeakPolarHBondContact O-CB 3.34Å; S483-T540 VanDerWaalsContact OG-CG2 3.22Å; S483-T540 WeakPolarHBondContact OG-CG2 3.4Å; S483-R544 WeakPolarHBondContact O-CD 3.19Å; S483-R544 PolarHBondContact O-NH1 2.86Å; S483-R544 VanDerWaalsContact O-NH1 3.14Å; S483-E553 PolarHBondContact OG-OE1 3.04Å
484	V	97.7	Very high	96.2	Very high	10 Å²	10	40 Å²	40	6%	0.061	22%	0.217	C	C	.	.			trans	-123.2	124.6	172.7	176.9	0	0	0	0	110.2	Y479 V482 E489 R544 R547	Y479-V484 CarbonylContact C-O 3.59Å; Y479-V484 PolarHBondContact O-N 2.92Å; Y479-V484 VanDerWaalsContact O-N 3.16Å; V482-V484 HydrophobicContact CG2-CB 4.47Å; V482-V484 HydrophobicContact CG2-CG2 4Å; V482-V484 PolarHBondContact O-N 2.74Å; V484-E489 VanDerWaalsContact CA-OE1 3.32Å; V484-E489 WeakPolarHBondContact CA-OE1 3.22Å; V484-R544 HydrophobicContact CG2-CG 3.39Å; V484-R547 WeakPolarHBondContact CG1-O 3.42Å; V484-R547 HydrophobicContact CG2-CB 4.14Å
485	C	97.8	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.			trans	-159.9	101.9	171.8	-177.7	0	0	0	0	108.5	C477 L480 L487 T488 E489 P513	C477-C485 HydrophobicContact CB-CB 3.57Å; C477-C485 WeakPolarHBondContact CB-SG 3.21Å; C477-C485 WeakPolarHBondContact SG-CA 3.3Å; C477-C485 WeakPolarHBondContact SG-CB 3.18Å; C477-C485 CovalentContact SG-SG 2.02Å; C477-C485 PolarHBondContact SG-SG 3.14Å; L480-C485 HydrophobicContact CD2-CB 4.02Å; C485-L487 PolarHBondContact O-N 2.72Å; C485-L487 VanDerWaalsContact O-N 3.08Å; C485-T488 VanDerWaalsContact CB-OG1 3.32Å; C485-T488 WeakPolarHBondContact CB-OG1 3.38Å; C485-T488 PolarHBondContact O-N 3.19Å; C485-T488 VanDerWaalsContact O-N 3.16Å; C485-T488 PolarHBondContact O-OG1 3.39Å; C485-E489 PolarHBondContact N-OE1 3.36Å; C485-E489 VanDerWaalsContact O-CG 3.29Å; C485-E489 WeakPolarHBondContact O-CG 3.48Å; C485-E489 PolarHBondContact O-N 3.34Å; C485-E489 VanDerWaalsContact O-N 3.11Å; C485-P513 HydrophobicContact CB-CG 3.5Å
486	P	95.7	Very high	96.4	Very high	92 Å²	92	36.8 Å²	36.8	60%	0.597	20%	0.203	S	C	*	.	H	α-helix	trans	-52.7	-38.2	-171.5	-30.7	36.1	0	0	0	114.5	S490	P486-S490 WeakPolarHBondContact O-CB 3.41Å; P486-S490 PolarHBondContact O-N 2.69Å; P486-S490 PolarHBondContact O-OG 2.89Å
487	L	97	Very high	96.4	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-52.9	179.1	178.5	67.4	0	0	0	112.3	I475 C485 E489 S490 S491 F494 F859 D861	I475-L487 HydrophobicContact CB-CD2 4.33Å; I475-L487 HydrophobicContact CD1-CB 4.22Å; I475-L487 HydrophobicContact CD1-CD1 4.07Å; I475-L487 HydrophobicContact CD1-CD2 3.86Å; I475-L487 HydrophobicContact CD1-CG 4.27Å; I475-L487 HydrophobicContact CG2-CB 4.27Å; C485-L487 PolarHBondContact O-N 2.72Å; C485-L487 VanDerWaalsContact O-N 3.08Å; L487-E489 PolarHBondContact O-N 3.3Å; L487-S490 PolarHBondContact O-N 3.06Å; L487-S490 PolarHBondContact O-OG 3.16Å; L487-S491 VanDerWaalsContact O-CB 3.25Å; L487-S491 WeakPolarHBondContact O-CB 3.18Å; L487-S491 PolarHBondContact O-N 2.88Å; L487-F494 HydrophobicContact CD2-CB 4.29Å; L487-F494 HydrophobicContact CG-CB 4.46Å; L487-F859 HydrophobicContact CD2-CB 3.43Å; L487-F859 VanDerWaalsContact CD2-CB 3.43Å; L487-F859 HydrophobicContact CD2-CG 4.4Å; L487-D861 HydrophobicContact CD1-CB 3.66Å
488	T	97.3	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-72.8	-21.4	-174	64.7	0	0	0	0	112.4	C485 F494 L512 P513 F859	C485-T488 VanDerWaalsContact CB-OG1 3.32Å; C485-T488 WeakPolarHBondContact CB-OG1 3.38Å; C485-T488 PolarHBondContact O-N 3.19Å; C485-T488 VanDerWaalsContact O-N 3.16Å; C485-T488 PolarHBondContact O-OG1 3.39Å; T488-F494 HydrophobicContact CG2-CD1 4.47Å; T488-F494 HydrophobicContact CG2-CD2 4.18Å; T488-F494 HydrophobicContact CG2-CE1 4.05Å; T488-F494 HydrophobicContact CG2-CE2 3.73Å; T488-F494 HydrophobicContact CG2-CZ 3.66Å; T488-L512 HydrophobicContact CG2-CD1 4.36Å; T488-P513 CarbonylContact C-O 3.57Å; T488-P513 VanDerWaalsContact C-O 3.26Å; T488-P513 VanDerWaalsContact CB-O 3.3Å; T488-P513 WeakPolarHBondContact CB-O 3.3Å; T488-P513 PolarHBondContact OG1-O 2.85Å; T488-F859 HydrophobicContact CG2-CD1 4.03Å; T488-F859 HydrophobicContact CG2-CE1 3.98Å
489	E	95.9	Very high	96.7	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-74.6	-29.6	173.9	-69	180	-124.2	0	0	113.2	V484 C485 L487 P513 N515 G548 F549 A550	V484-E489 VanDerWaalsContact CA-OE1 3.32Å; V484-E489 WeakPolarHBondContact CA-OE1 3.22Å; C485-E489 PolarHBondContact N-OE1 3.36Å; C485-E489 VanDerWaalsContact O-CG 3.29Å; C485-E489 WeakPolarHBondContact O-CG 3.48Å; C485-E489 PolarHBondContact O-N 3.34Å; C485-E489 VanDerWaalsContact O-N 3.11Å; L487-E489 PolarHBondContact O-N 3.3Å; E489-P513 HydrophobicContact CG-CB 4.09Å; E489-P513 HydrophobicContact CG-CG 4.28Å; E489-P513 PolarHBondContact N-O 2.82Å; E489-N515 PolarHBondContact O-ND2 3.23Å; E489-G548 WeakPolarHBondContact OE2-CA 3.1Å; E489-F549 HydrophobicContact CB-CE1 3.92Å; E489-F549 HydrophobicContact CB-CE2 3.99Å; E489-F549 HydrophobicContact CB-CZ 3.59Å; E489-F549 VanDerWaalsContact OE2-CD1 3.29Å; E489-F549 WeakPolarHBondContact OE2-CD1 3.4Å; E489-F549 PolarHBondContact OE2-N 3.44Å; E489-A550 HydrophobicContact CG-CB 3.72Å; E489-A550 PolarHBondContact OE2-N 3.37Å
490	S	94.6	Very high	96.8	Very high	87 Å²	87	25.2 Å²	25.2	61%	0.608	15%	0.152	S	C	*	.	H	α-helix	trans	-108.9	-31.7	-172.1	58.5	0	0	0	0	114.1	P486 L487	P486-S490 WeakPolarHBondContact O-CB 3.41Å; P486-S490 PolarHBondContact O-N 2.69Å; P486-S490 PolarHBondContact O-OG 2.89Å; L487-S490 PolarHBondContact O-N 3.06Å; L487-S490 PolarHBondContact O-OG 3.16Å
491	S	95.4	Very high	96.9	Very high	19 Å²	19	23.2 Å²	23.2	13%	0.133	14%	0.142	C	C	.	.			trans	-83.7	136.3	-174.9	-172.9	0	0	0	0	112.1	L487 K493 D861	L487-S491 VanDerWaalsContact O-CB 3.25Å; L487-S491 WeakPolarHBondContact O-CB 3.18Å; L487-S491 PolarHBondContact O-N 2.88Å; S491-K493 VanDerWaalsContact C-N 3.31Å; S491-K493 PolarHBondContact OG-N 2.85Å; S491-K493 PolarHBondContact OG-O 2.83Å; S491-D861 WeakPolarHBondContact CB-OD1 3.2Å; S491-D861 PolarHBondContact OG-OD1 3.36Å
492	S	94.9	Very high	97	Very high	73 Å²	73	18.9 Å²	18.9	51%	0.51	12%	0.119	S	C	.	.	S	Bend	trans	-80.7	-15	171.3	60.5	0	0	0	0	112.3	L572	S492-L572 VanDerWaalsContact O-CB 3.3Å; S492-L572 WeakPolarHBondContact O-CB 3.27Å; S492-L572 PolarHBondContact O-N 3.48Å
493	K	97.2	Very high	97.1	Very high	66 Å²	66	18.8 Å²	18.8	29%	0.287	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	124.8	-178.8	-169	171.8	-165.6	-170.4	0	111	S491 V570 S571 G862 D863	S491-K493 VanDerWaalsContact C-N 3.31Å; S491-K493 PolarHBondContact OG-N 2.85Å; S491-K493 PolarHBondContact OG-O 2.83Å; K493-V570 WeakPolarHBondContact CA-O 3.47Å; K493-S571 VanDerWaalsContact CE-OG 3.26Å; K493-S571 WeakPolarHBondContact CE-OG 3.39Å; K493-G862 VanDerWaalsContact O-CA 3.24Å; K493-G862 WeakPolarHBondContact O-CA 3.4Å; K493-G862 PolarHBondContact O-N 2.93Å; K493-D863 VanDerWaalsContact CE-CG 3.48Å; K493-D863 WeakPolarHBondContact CE-OD1 3.33Å; K493-D863 WeakPolarHBondContact CE-OD2 3.04Å; K493-D863 IonicContact NZ-OD1 2.69Å; K493-D863 PolarHBondContact NZ-OD1 2.85Å; K493-D863 IonicContact NZ-OD2 3.24Å; K493-D863 PolarHBondContact NZ-OD2 3.4Å
494	F	97.8	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.5	179.9	59.5	-92.3	0	0	0	110.6	L487 T488 L512 V570 F859 T860	L487-F494 HydrophobicContact CD2-CB 4.29Å; L487-F494 HydrophobicContact CG-CB 4.46Å; T488-F494 HydrophobicContact CG2-CD1 4.47Å; T488-F494 HydrophobicContact CG2-CD2 4.18Å; T488-F494 HydrophobicContact CG2-CE1 4.05Å; T488-F494 HydrophobicContact CG2-CE2 3.73Å; T488-F494 HydrophobicContact CG2-CZ 3.66Å; F494-L512 HydrophobicContact CE2-CD1 3.71Å; F494-L512 HydrophobicContact CZ-CD1 3.88Å; F494-V570 HydrophobicContact CD1-CB 4.42Å; F494-V570 HydrophobicContact CD2-CB 4.01Å; F494-V570 HydrophobicContact CD2-CG2 4.24Å; F494-V570 HydrophobicContact CE1-CB 4.03Å; F494-V570 HydrophobicContact CE1-CG1 3.8Å; F494-V570 HydrophobicContact CE2-CB 3.56Å; F494-V570 HydrophobicContact CE2-CG1 3.98Å; F494-V570 HydrophobicContact CE2-CG2 3.61Å; F494-V570 HydrophobicContact CG-CB 4.42Å; F494-V570 HydrophobicContact CZ-CB 3.58Å; F494-V570 HydrophobicContact CZ-CG1 3.45Å; F494-V570 VanDerWaalsContact CZ-CG1 3.45Å; F494-V570 HydrophobicContact CZ-CG2 3.98Å; F494-V570 PolarHBondContact N-O 3.31Å; F494-V570 PolarHBondContact O-N 3.17Å; F494-F859 HydrophobicContact CD2-CD1 4.22Å; F494-F859 HydrophobicContact CE2-CD1 4.32Å; F494-T860 WeakPolarHBondContact CA-O 3.08Å; F494-T860 WeakPolarHBondContact CB-O 3.16Å
495	S	97.3	Very high	96.9	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.1	173	-53.7	0	0	0	0	111	Y568 F859 T860 G862	S495-Y568 CarbonylContact C-O 3.48Å; S495-Y568 WeakPolarHBondContact CA-O 3.22Å; S495-F859 CarbonylContact O-C 3.5Å; S495-F859 VanDerWaalsContact O-CA 3.27Å; S495-F859 WeakPolarHBondContact O-CA 3.29Å; S495-T860 WeakPolarHBondContact CB-OG1 3.45Å; S495-T860 PolarHBondContact N-O 3.07Å; S495-T860 PolarHBondContact O-N 2.67Å; S495-G862 PolarHBondContact OG-O 3.47Å
496	L	97.6	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.8	176.9	164	66.7	0	0	0	108.8	V498 V510 F556 V558 S567 Y568 L857 F859	L496-V498 HydrophobicContact CD1-CG2 4.21Å; L496-V498 HydrophobicContact CD2-CG2 3.94Å; L496-V498 HydrophobicContact CG-CG2 3.83Å; L496-V510 HydrophobicContact CD2-CG1 3.97Å; L496-V510 HydrophobicContact CD2-CG2 4.3Å; L496-F556 HydrophobicContact CD2-CE2 4Å; L496-F556 HydrophobicContact CD2-CZ 3.72Å; L496-V558 HydrophobicContact CD2-CG1 4.28Å; L496-S567 CarbonylContact O-C 3.56Å; L496-S567 VanDerWaalsContact O-CA 3.29Å; L496-S567 WeakPolarHBondContact O-CA 3.11Å; L496-Y568 PolarHBondContact N-O 3.44Å; L496-Y568 PolarHBondContact O-N 3.48Å; L496-L857 HydrophobicContact CD1-CB 4.02Å; L496-L857 HydrophobicContact CD1-CD2 4.2Å; L496-F859 HydrophobicContact CB-CD1 4.24Å; L496-F859 HydrophobicContact CB-CE1 4.3Å; L496-F859 HydrophobicContact CD1-CD1 3.95Å; L496-F859 HydrophobicContact CD1-CE1 3.52Å; L496-F859 HydrophobicContact CD1-CZ 3.86Å; L496-F859 HydrophobicContact CG-CE1 4.39Å
497	S	97.1	Very high	96.7	Very high	11 Å²	11	20.5 Å²	20.5	8%	0.077	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.6	169.5	-164.5	0	0	0	0	110.1	S858	S497-S858 PolarHBondContact N-O 2.91Å; S497-S858 PolarHBondContact O-N 2.84Å
498	V	98.1	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.6	-176	-175.1	0	0	0	0	108.4	L496 V558 A560 Y565 S566 Y568 P855 L857	L496-V498 HydrophobicContact CD1-CG2 4.21Å; L496-V498 HydrophobicContact CD2-CG2 3.94Å; L496-V498 HydrophobicContact CG-CG2 3.83Å; V498-V558 HydrophobicContact CB-CG2 4.39Å; V498-V558 HydrophobicContact CG1-CG2 3.84Å; V498-V558 HydrophobicContact CG2-CB 4.11Å; V498-V558 HydrophobicContact CG2-CG1 4.13Å; V498-V558 HydrophobicContact CG2-CG2 3.9Å; V498-A560 HydrophobicContact CG1-CB 4.13Å; V498-Y565 WeakPolarHBondContact O-CA 3.35Å; V498-Y565 WeakPolarHBondContact O-CB 3.28Å; V498-S566 PolarHBondContact N-O 3.49Å; V498-S566 PolarHBondContact O-N 3.02Å; V498-Y568 HydrophobicContact CG2-CD2 4.12Å; V498-Y568 HydrophobicContact CG2-CE2 4.14Å; V498-P855 HydrophobicContact CG1-CB 3.84Å; V498-L857 HydrophobicContact CB-CD2 4.29Å; V498-L857 HydrophobicContact CG1-CD2 3.92Å; V498-L857 HydrophobicContact CG2-CD2 3.96Å
499	Y	98.4	Very high	96.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.5	174.6	179.1	-102	0	0	0	110.8	Q398 L399 P501 L563 G564 P855 L856	Q398-Y499 VanDerWaalsContact CB-OH 3.27Å; Q398-Y499 WeakPolarHBondContact CB-OH 3.26Å; Q398-Y499 PolarHBondContact OE1-OH 3.44Å; L399-Y499 HydrophobicContact CD1-CD1 4.04Å; L399-Y499 HydrophobicContact CD1-CD2 4.21Å; L399-Y499 HydrophobicContact CD1-CE1 4.08Å; L399-Y499 HydrophobicContact CD1-CE2 4.26Å; L399-Y499 HydrophobicContact CD1-CG 4.1Å; L399-Y499 HydrophobicContact CD2-CD2 3.95Å; L399-Y499 HydrophobicContact CD2-CE2 3.53Å; L399-Y499 HydrophobicContact CG-CD1 4.45Å; L399-Y499 HydrophobicContact CG-CD2 4.3Å; L399-Y499 HydrophobicContact CG-CE1 4.02Å; L399-Y499 HydrophobicContact CG-CE2 3.87Å; Y499-P501 HydrophobicContact CE1-CB 4.18Å; Y499-L563 WeakPolarHBondContact OH-CD1 3.26Å; Y499-G564 CarbonylContact C-O 3.52Å; Y499-G564 WeakPolarHBondContact CA-O 3.29Å; Y499-G564 WeakPolarHBondContact CD2-O 3.13Å; Y499-P855 CarbonylContact O-C 3.58Å; Y499-P855 WeakPolarHBondContact O-CA 3.37Å; Y499-P855 WeakPolarHBondContact O-CB 3.47Å; Y499-L856 PolarHBondContact N-O 3.05Å; Y499-L856 PolarHBondContact O-N 3.1Å
500	N	98.4	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.2	177.9	169.2	29	0	0	0	110.5	L502 R504 V506 A560 P561 L563 G564	N500-L502 VanDerWaalsContact C-N 3.27Å; N500-L502 PolarHBondContact O-N 3.11Å; N500-L502 WeakPolarHBondContact OD1-CB 3.45Å; N500-L502 PolarHBondContact OD1-N 2.66Å; N500-R504 PolarHBondContact ND2-O 3.13Å; N500-V506 WeakPolarHBondContact OD1-CG2 3.27Å; N500-A560 HydrophobicContact CB-CB 3.55Å; N500-P561 WeakPolarHBondContact CB-O 3.36Å; N500-P561 PolarHBondContact ND2-O 3.03Å; N500-L563 CarbonylContact O-C 3.53Å; N500-L563 VanDerWaalsContact O-CA 3.22Å; N500-L563 WeakPolarHBondContact O-CA 3.4Å; N500-L563 PolarHBondContact O-N 2.88Å; N500-G564 PolarHBondContact N-O 3.17Å; N500-G564 PolarHBondContact O-N 2.99Å; N500-G564 VanDerWaalsContact O-N 3.14Å
501	P	97.8	Very high	96.7	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.013	11%	0.114	C	C	.	.			trans	-79.2	-6.2	-179.7	32.9	-36.7	0	0	0	113.8	Q398 Y499 S853	Q398-P501 PolarHBondContact NE2-O 3.33Å; Y499-P501 HydrophobicContact CE1-CB 4.18Å; P501-S853 WeakPolarHBondContact CG-O 3.47Å
502	L	98	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-82.8	149.8	-178.6	-58.6	-170.9	0	0	0	112.2	N500 R504 V506 P562 L563 Q849 Q850	N500-L502 VanDerWaalsContact C-N 3.27Å; N500-L502 PolarHBondContact O-N 3.11Å; N500-L502 WeakPolarHBondContact OD1-CB 3.45Å; N500-L502 PolarHBondContact OD1-N 2.66Å; L502-R504 HydrophobicContact CB-CG 4.34Å; L502-R504 PolarHBondContact O-N 2.9Å; L502-V506 HydrophobicContact CB-CG2 4.23Å; L502-V506 HydrophobicContact CD1-CG2 3.59Å; L502-V506 HydrophobicContact CG-CG2 4.18Å; L502-P562 CarbonylContact O-C 3.56Å; L502-P562 WeakPolarHBondContact O-CA 3.35Å; L502-L563 PolarHBondContact O-N 2.53Å; L502-Q849 HydrophobicContact CD2-CG 3.84Å; L502-Q850 HydrophobicContact CD1-CB 4.43Å; L502-Q850 HydrophobicContact CD1-CG 3.65Å
503	G	96.9	Very high	96.9	Very high	4 Å²	4	15.8 Å²	15.8	4%	0.041	8%	0.083	C	C	.	.	S	Bend	trans	-71.4	12.4	174	0	0	0	0	0	115.4	L879	G503-L879 PolarHBondContact O-N 3.13Å
504	R	96.1	Very high	96.9	Very high	33 Å²	33	12.6 Å²	12.6	13%	0.125	7%	0.07	C	C	.	.	S	Bend	trans	-142.3	157.8	178.9	61.2	-176.6	177.2	-119.9	-10.9	109.9	N500 L502 P846	N500-R504 PolarHBondContact ND2-O 3.13Å; L502-R504 HydrophobicContact CB-CG 4.34Å; L502-R504 PolarHBondContact O-N 2.9Å; R504-P846 PolarHBondContact NH2-O 3.17Å; R504-P846 VanDerWaalsContact NH2-O 3.15Å
505	S	95.8	Very high	96.7	Very high	37 Å²	37	14 Å²	14	26%	0.259	8%	0.077	S	C	.	.			trans	-63.2	140.7	176.4	-174.6	0	0	0	0	110.9	R559 A560	S505-R559 WeakPolarHBondContact OG-CG 2.97Å; S505-R559 PolarHBondContact OG-NE 2.8Å; S505-R559 VanDerWaalsContact OG-NE 3.08Å; S505-A560 VanDerWaalsContact CA-O 3.27Å; S505-A560 WeakPolarHBondContact CA-O 3.11Å; S505-A560 PolarHBondContact OG-O 3.35Å
506	V	94.8	Very high	96.5	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132	179.2	175.2	0	0	0	0	109	N500 L502 W508 R559 A560 Q850 P855	N500-V506 WeakPolarHBondContact OD1-CG2 3.27Å; L502-V506 HydrophobicContact CB-CG2 4.23Å; L502-V506 HydrophobicContact CD1-CG2 3.59Å; L502-V506 HydrophobicContact CG-CG2 4.18Å; V506-W508 HydrophobicContact CG1-CB 4.32Å; V506-W508 HydrophobicContact CG1-CE3 4.26Å; V506-R559 WeakPolarHBondContact O-CA 3.29Å; V506-A560 PolarHBondContact N-O 2.79Å; V506-A560 VanDerWaalsContact N-O 3.15Å; V506-A560 PolarHBondContact O-N 3.25Å; V506-Q850 HydrophobicContact CG1-CG 4.46Å; V506-Q850 HydrophobicContact CG2-CG 4.34Å; V506-P855 HydrophobicContact CG1-CG 4.24Å
507	T	94.8	Very high	96.3	Very high	67 Å²	67	14.7 Å²	14.7	41%	0.411	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.8	160.8	-57.4	0	0	0	0	108	Q557 V558	T507-Q557 HydrophobicContact CG2-CB 4.13Å; T507-V558 CarbonylContact C-O 3.57Å; T507-V558 VanDerWaalsContact CA-O 3.25Å; T507-V558 WeakPolarHBondContact CA-O 3.07Å
508	W	95.1	Very high	96.1	Very high	30 Å²	30	15.5 Å²	15.5	11%	0.114	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134	-175.4	-169	-99.9	0	0	0	111	V506 V558 Q850 Q854 P855	V506-W508 HydrophobicContact CG1-CB 4.32Å; V506-W508 HydrophobicContact CG1-CE3 4.26Å; W508-V558 HydrophobicContact CB-CG2 3.91Å; W508-V558 PolarHBondContact N-O 2.93Å; W508-V558 WeakPolarHBondContact O-CG2 3.44Å; W508-V558 PolarHBondContact O-N 3.38Å; W508-Q850 HydrophobicContact CZ3-CB 4.42Å; W508-Q850 WeakPolarHBondContact CZ3-O 3.1Å; W508-Q854 HydrophobicContact CH2-CB 3.66Å; W508-Q854 HydrophobicContact CZ2-CB 3.88Å; W508-Q854 HydrophobicContact CZ3-CB 4.43Å; W508-P855 HydrophobicContact CB-CG 4.03Å; W508-P855 HydrophobicContact CD2-CG 3.83Å; W508-P855 HydrophobicContact CE3-CG 4Å; W508-P855 HydrophobicContact CG-CG 3.84Å
509	P	95.5	Very high	96.1	Very high	31 Å²	31	16.2 Å²	16.2	20%	0.201	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.2	171.4	29.8	-32	0	0	0	110.5	Y688	P509-Y688 HydrophobicContact CB-CD1 3.72Å; P509-Y688 HydrophobicContact CB-CD2 4.01Å; P509-Y688 HydrophobicContact CB-CE1 3.37Å; P509-Y688 HydrophobicContact CB-CE2 3.69Å; P509-Y688 HydrophobicContact CB-CG 4.02Å; P509-Y688 HydrophobicContact CG-CD2 4.08Å; P509-Y688 HydrophobicContact CG-CE1 4.36Å; P509-Y688 HydrophobicContact CG-CE2 3.76Å
510	V	96.9	Very high	96	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.2	175	172.4	0	0	0	0	109	L496 L512 V555 F556 V558 L857	L496-V510 HydrophobicContact CD2-CG1 3.97Å; L496-V510 HydrophobicContact CD2-CG2 4.3Å; V510-L512 HydrophobicContact CG1-CD1 4.17Å; V510-L512 HydrophobicContact CG1-CD2 3.63Å; V510-L512 HydrophobicContact CG1-CG 3.65Å; V510-V555 WeakPolarHBondContact O-CA 3.46Å; V510-F556 HydrophobicContact CB-CD2 4.49Å; V510-F556 HydrophobicContact CB-CE1 4.2Å; V510-F556 HydrophobicContact CB-CE2 4.18Å; V510-F556 HydrophobicContact CB-CZ 4.03Å; V510-F556 HydrophobicContact CG1-CD1 4.48Å; V510-F556 HydrophobicContact CG1-CE1 3.75Å; V510-F556 HydrophobicContact CG1-CE2 4.24Å; V510-F556 HydrophobicContact CG1-CZ 3.62Å; V510-F556 PolarHBondContact N-O 2.79Å; V510-F556 PolarHBondContact O-N 2.69Å; V510-F556 VanDerWaalsContact O-N 3.13Å; V510-V558 HydrophobicContact CB-CG1 4.38Å; V510-V558 HydrophobicContact CG2-CB 4.3Å; V510-V558 HydrophobicContact CG2-CG1 3.71Å; V510-V558 HydrophobicContact CG2-CG2 3.6Å; V510-L857 HydrophobicContact CG2-CD1 4.47Å; V510-L857 HydrophobicContact CG2-CD2 4.47Å
511	R	96.6	Very high	96	Very high	36 Å²	36	18 Å²	18	14%	0.136	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	109.2	178.4	-173.5	170.1	-159.8	129.1	4.7	108.5	E553 L554 V555 E672	R511-E553 HydrophobicContact CG-CB 3.95Å; R511-E553 HydrophobicContact CG-CG 4.44Å; R511-E553 IonicContact CZ-OE2 2.68Å; R511-E553 IonicContact NE-OE1 2.92Å; R511-E553 PolarHBondContact NE-OE1 3.21Å; R511-E553 IonicContact NE-OE2 3.25Å; R511-E553 PolarHBondContact NE-OE2 3.22Å; R511-E553 IonicContact NH2-OE2 3.07Å; R511-E553 PolarHBondContact NH2-OE2 3.03Å; R511-L554 CarbonylContact C-O 3.59Å; R511-L554 WeakPolarHBondContact CA-O 3.48Å; R511-V555 HydrophobicContact CG-CG2 4.1Å; R511-E672 IonicContact CZ-OE2 3.88Å; R511-E672 IonicContact NH1-OE2 3.62Å; R511-E672 PolarHBondContact NH1-OE2 2.91Å; R511-E672 IonicContact NH2-OE1 3.58Å; R511-E672 PolarHBondContact NH2-OE1 3.03Å; R511-E672 IonicContact NH2-OE2 2.77Å; R511-E672 PolarHBondContact NH2-OE2 3.18Å
512	L	98.1	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.5	-174.7	-56.3	-178.9	0	0	0	110.8	L480 T488 F494 V510 V514 E553 L554 F556 F859	L480-L512 HydrophobicContact CD2-CD2 4.25Å; T488-L512 HydrophobicContact CG2-CD1 4.36Å; F494-L512 HydrophobicContact CE2-CD1 3.71Å; F494-L512 HydrophobicContact CZ-CD1 3.88Å; V510-L512 HydrophobicContact CG1-CD1 4.17Å; V510-L512 HydrophobicContact CG1-CD2 3.63Å; V510-L512 HydrophobicContact CG1-CG 3.65Å; L512-V514 HydrophobicContact CB-CG1 4.46Å; L512-V514 PolarHBondContact O-N 3.14Å; L512-E553 CarbonylContact O-C 3.59Å; L512-E553 WeakPolarHBondContact O-CA 3.49Å; L512-L554 HydrophobicContact CB-CB 4.49Å; L512-L554 PolarHBondContact N-O 3.08Å; L512-L554 PolarHBondContact O-N 3.28Å; L512-F556 HydrophobicContact CD1-CE1 3.94Å; L512-F556 HydrophobicContact CD1-CZ 4.08Å; L512-F556 HydrophobicContact CG-CE1 4.27Å; L512-F859 HydrophobicContact CD1-CE1 3.94Å; L512-F859 HydrophobicContact CD2-CE1 3.61Å; L512-F859 HydrophobicContact CD2-CZ 3.58Å; L512-F859 HydrophobicContact CG-CE1 4.43Å
513	P	97.6	Very high	95.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.7	174.9	29.7	-32.9	0	0	0	110.3	L480 S483 C485 T488 E489 A550	L480-P513 HydrophobicContact CD2-CG 4.33Å; S483-P513 VanDerWaalsContact O-CB 3.27Å; S483-P513 WeakPolarHBondContact O-CB 3.34Å; C485-P513 HydrophobicContact CB-CG 3.5Å; T488-P513 CarbonylContact C-O 3.57Å; T488-P513 VanDerWaalsContact C-O 3.26Å; T488-P513 VanDerWaalsContact CB-O 3.3Å; T488-P513 WeakPolarHBondContact CB-O 3.3Å; T488-P513 PolarHBondContact OG1-O 2.85Å; E489-P513 HydrophobicContact CG-CB 4.09Å; E489-P513 HydrophobicContact CG-CG 4.28Å; E489-P513 PolarHBondContact N-O 2.82Å; P513-A550 HydrophobicContact CB-CB 3.52Å
514	V	96.6	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.9	-174.9	-65.7	0	0	0	0	111.2	L512 Y519 K551 N552 L554	L512-V514 HydrophobicContact CB-CG1 4.46Å; L512-V514 PolarHBondContact O-N 3.14Å; V514-Y519 HydrophobicContact CB-CE2 3.81Å; V514-Y519 WeakPolarHBondContact CB-OH 3.38Å; V514-Y519 HydrophobicContact CG1-CE1 4.38Å; V514-Y519 HydrophobicContact CG1-CE2 4.23Å; V514-Y519 HydrophobicContact CG2-CD2 4.41Å; V514-Y519 HydrophobicContact CG2-CE2 3.65Å; V514-K551 PolarHBondContact O-N 3.43Å; V514-N552 HydrophobicContact CG2-CB 4.11Å; V514-N552 PolarHBondContact N-O 3.06Å; V514-N552 CarbonylContact O-C 3.58Å; V514-N552 PolarHBondContact O-N 2.85Å; V514-L554 HydrophobicContact CG1-CB 4Å; V514-L554 HydrophobicContact CG2-CB 3.92Å
515	N	94.1	Very high	95.7	Very high	30 Å²	30	26.2 Å²	26.2	16%	0.16	15%	0.152	C	C	.	.	S	Bend	trans	-109.4	-23.9	177.2	-78.9	-49.7	0	0	0	114.7	E489 F549 A550 K551 N552	E489-N515 PolarHBondContact O-ND2 3.23Å; N515-F549 WeakPolarHBondContact ND2-CD2 3.49Å; N515-F549 WeakPolarHBondContact ND2-CE2 3.25Å; N515-F549 PolarHBondContact OD1-O 2.97Å; N515-A550 WeakPolarHBondContact OD1-CA 3.25Å; N515-K551 PolarHBondContact OD1-N 3Å; N515-N552 PolarHBondContact O-ND2 2.87Å
516	G	93.1	Very high	95.6	Very high	2 Å²	2	27 Å²	27	2%	0.021	17%	0.166	C	C	.	.			trans	-69.8	172.7	176.1	0	0	0	0	0	113.5	Y519 N552	G516-Y519 WeakPolarHBondContact CA-OH 3.31Å; G516-Y519 PolarHBondContact N-OH 3.43Å; G516-N552 PolarHBondContact O-ND2 2.92Å
517	T	92.5	Very high	95.7	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.104	19%	0.194	C	C	.	.	S	Bend	trans	-114.6	-14.7	-178.7	49	0	0	0	0	113.9	Q574 G576 P577	T517-Q574 PolarHBondContact N-O 3.17Å; T517-Q574 PolarHBondContact OG1-O 3.2Å; T517-G576 WeakPolarHBondContact CG2-O 3.38Å; T517-P577 WeakPolarHBondContact CG2-O 3.19Å
518	A	94.2	Very high	95.9	Very high	27 Å²	27	35.2 Å²	35.2	22%	0.223	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.9	170.3	0	0	0	0	0	110.3	L573 Q574	A518-L573 HydrophobicContact CB-CB 4.19Å; A518-L573 PolarHBondContact O-N 3.1Å; A518-Q574 HydrophobicContact CB-CB 3.97Å; A518-Q574 HydrophobicContact CB-CG 4.2Å; A518-Q574 PolarHBondContact N-O 2.82Å; A518-Q574 PolarHBondContact O-N 3.35Å
519	Y	96.4	Very high	95.9	Very high	16 Å²	16	35.1 Å²	35.1	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.7	179	-73.4	-95.8	0	0	0	109.8	V514 G516 C531 V533 L554 V570 S571 L572	V514-Y519 HydrophobicContact CB-CE2 3.81Å; V514-Y519 WeakPolarHBondContact CB-OH 3.38Å; V514-Y519 HydrophobicContact CG1-CE1 4.38Å; V514-Y519 HydrophobicContact CG1-CE2 4.23Å; V514-Y519 HydrophobicContact CG2-CD2 4.41Å; V514-Y519 HydrophobicContact CG2-CE2 3.65Å; G516-Y519 WeakPolarHBondContact CA-OH 3.31Å; G516-Y519 PolarHBondContact N-OH 3.43Å; Y519-C531 PolarHBondContact O-SG 3.44Å; Y519-V533 HydrophobicContact CD2-CG2 3.89Å; Y519-L554 HydrophobicContact CD1-CD2 4.31Å; Y519-L554 HydrophobicContact CD2-CD1 4.29Å; Y519-L554 HydrophobicContact CD2-CD2 4.44Å; Y519-L554 HydrophobicContact CG-CD1 4.3Å; Y519-L554 HydrophobicContact CG-CD2 3.98Å; Y519-V570 HydrophobicContact CD1-CG1 3.81Å; Y519-V570 HydrophobicContact CG-CG1 4.48Å; Y519-S571 CarbonylContact C-O 3.58Å; Y519-S571 VanDerWaalsContact CA-O 3.28Å; Y519-S571 WeakPolarHBondContact CA-O 3.31Å; Y519-L572 HydrophobicContact CD1-CB 4.28Å; Y519-L572 HydrophobicContact CD1-CD1 4.47Å; Y519-L572 HydrophobicContact CE1-CB 3.86Å; Y519-L572 HydrophobicContact CE1-CD1 3.89Å; Y519-L572 HydrophobicContact CE1-CG 4.49Å; Y519-L572 HydrophobicContact CE2-CD1 4Å
520	A	97.5	Very high	95.9	Very high	36 Å²	36	37.9 Å²	37.9	30%	0.298	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.6	162.9	0	0	0	0	0	108.4	V570 S571 L573	A520-V570 WeakPolarHBondContact O-CA 3.5Å; A520-S571 PolarHBondContact N-O 3.1Å; A520-S571 PolarHBondContact O-N 2.61Å; A520-L573 HydrophobicContact CB-CD1 4.01Å; A520-L573 HydrophobicContact CB-CD2 4Å; A520-L573 HydrophobicContact CB-CG 4.08Å
521	V	98.1	Very high	95.9	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	170.2	-175.6	0	0	0	0	107.9	P528 V529 C531 L554 F556 Y568 S569 V570	V521-P528 WeakPolarHBondContact O-CA 3.44Å; V521-V529 HydrophobicContact CB-CB 4.11Å; V521-V529 HydrophobicContact CG1-CB 3.92Å; V521-V529 HydrophobicContact CG1-CG1 4.43Å; V521-V529 HydrophobicContact CG1-CG2 4.28Å; V521-V529 PolarHBondContact O-N 2.9Å; V521-C531 HydrophobicContact CB-CB 4.42Å; V521-C531 HydrophobicContact CG2-CB 3.81Å; V521-L554 HydrophobicContact CG2-CD2 4.04Å; V521-F556 HydrophobicContact CG1-CD2 3.91Å; V521-F556 HydrophobicContact CG1-CE2 3.86Å; V521-F556 HydrophobicContact CG1-CG 4.41Å; V521-F556 HydrophobicContact CG1-CZ 4.36Å; V521-F556 HydrophobicContact CG2-CD1 4.25Å; V521-F556 HydrophobicContact CG2-CE1 4.41Å; V521-F556 HydrophobicContact CG2-CG 4.36Å; V521-Y568 HydrophobicContact CG1-CD1 4.26Å; V521-S569 WeakPolarHBondContact CA-O 3.46Å; V521-V570 HydrophobicContact CG1-CG2 4.41Å; V521-V570 HydrophobicContact CG2-CG1 4.41Å; V521-V570 HydrophobicContact CG2-CG2 4.27Å
522	T	97.6	Very high	95.8	Very high	43 Å²	43	40.2 Å²	40.2	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.1	175.7	50.5	0	0	0	0	110	K527 Y568 S569	T522-K527 WeakPolarHBondContact CA-O 3.24Å; T522-Y568 CarbonylContact O-C 3.54Å; T522-Y568 VanDerWaalsContact O-CA 3.23Å; T522-Y568 WeakPolarHBondContact O-CA 3.21Å; T522-S569 PolarHBondContact N-O 2.84Å; T522-S569 PolarHBondContact O-N 3.1Å; T522-S569 WeakPolarHBondContact OG1-CB 3.46Å; T522-S569 PolarHBondContact OG1-O 3.41Å
523	D	96.5	Very high	95.6	Very high	31 Å²	31	41 Å²	41	17%	0.166	24%	0.241	C	C	.	.			trans	-79.9	-179.1	175.7	66.9	20.5	0	0	0	112.3	Q525 G526 K527 V529 Y568	D523-Q525 PolarHBondContact O-N 3.42Å; D523-Q525 VanDerWaalsContact O-N 3.14Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.33Å; D523-Q525 PolarHBondContact OD1-N 2.77Å; D523-Q525 PolarHBondContact OD1-OE1 3.17Å; D523-G526 PolarHBondContact O-N 3.41Å; D523-G526 PolarHBondContact OD1-N 3.26Å; D523-K527 PolarHBondContact N-O 3.49Å; D523-K527 WeakPolarHBondContact OD1-CB 3.45Å; D523-K527 PolarHBondContact OD1-N 2.71Å; D523-K527 WeakPolarHBondContact OD2-CB 3.15Å; D523-V529 HydrophobicContact CB-CG2 3.95Å; D523-Y568 HydrophobicContact CB-CD1 4.05Å; D523-Y568 HydrophobicContact CB-CE1 3.66Å
524	A	94.4	Very high	95.4	Very high	18 Å²	18	41.2 Å²	41.2	15%	0.149	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.9	-179.4	0	0	0	0	0	114.3	S567 L870 E871	A524-S567 PolarHBondContact N-O 3.24Å; A524-L870 HydrophobicContact CB-CB 3.63Å; A524-L870 WeakPolarHBondContact O-CD1 3.38Å; A524-E871 HydrophobicContact CB-CG 3.52Å
525	Q	94.5	Very high	95.3	Very high	120 Å²	120	42.5 Å²	42.5	56%	0.561	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.9	175.5	-60.8	77.2	35.8	0	0	112.1	D523 K527 E871	D523-Q525 PolarHBondContact O-N 3.42Å; D523-Q525 VanDerWaalsContact O-N 3.14Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.33Å; D523-Q525 PolarHBondContact OD1-N 2.77Å; D523-Q525 PolarHBondContact OD1-OE1 3.17Å; Q525-K527 VanDerWaalsContact C-N 3.25Å; Q525-K527 PolarHBondContact O-N 2.96Å; Q525-E871 PolarHBondContact NE2-OE1 3Å; Q525-E871 PolarHBondContact NE2-OE2 2.55Å
526	G	93.4	Very high	95.2	Very high	54 Å²	54	41.3 Å²	41.3	56%	0.557	24%	0.244	S	C	*	.	S	Bend	trans	75.5	12.2	-176.5	0	0	0	0	0	113.5	D523	D523-G526 PolarHBondContact O-N 3.41Å; D523-G526 PolarHBondContact OD1-N 3.26Å
527	K	96.9	Very high	95.1	Very high	142 Å²	142	41.5 Å²	41.5	62%	0.617	25%	0.245	S	C	*	.			trans	-82.3	137.8	178	-176.6	-171.8	174.6	-172.5	0	109.6	T522 D523 Q525 V529	T522-K527 WeakPolarHBondContact CA-O 3.24Å; D523-K527 PolarHBondContact N-O 3.49Å; D523-K527 WeakPolarHBondContact OD1-CB 3.45Å; D523-K527 PolarHBondContact OD1-N 2.71Å; D523-K527 WeakPolarHBondContact OD2-CB 3.15Å; Q525-K527 VanDerWaalsContact C-N 3.25Å; Q525-K527 PolarHBondContact O-N 2.96Å; K527-V529 PolarHBondContact O-N 2.93Å
528	P	97.4	Very high	95	Very high	101 Å²	101	47.9 Å²	47.9	66%	0.656	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.6	173.4	-23	33.5	0	0	0	112.1	V521	V521-P528 WeakPolarHBondContact O-CA 3.44Å
529	V	97.1	Very high	94.8	Very high	28 Å²	28	46.9 Å²	46.9	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.3	172.6	179.6	0	0	0	0	108.1	V521 D523 K527 C531 F556 Q557 Y568	V521-V529 HydrophobicContact CB-CB 4.11Å; V521-V529 HydrophobicContact CG1-CB 3.92Å; V521-V529 HydrophobicContact CG1-CG1 4.43Å; V521-V529 HydrophobicContact CG1-CG2 4.28Å; V521-V529 PolarHBondContact O-N 2.9Å; D523-V529 HydrophobicContact CB-CG2 3.95Å; K527-V529 PolarHBondContact O-N 2.93Å; V529-C531 PolarHBondContact O-N 3.45Å; V529-F556 HydrophobicContact CG1-CB 4.29Å; V529-F556 HydrophobicContact CG1-CD2 4.36Å; V529-Q557 WeakPolarHBondContact CG1-O 3.36Å; V529-Y568 HydrophobicContact CG2-CD1 4.12Å; V529-Y568 HydrophobicContact CG2-CE1 3.94Å
530	D	95.6	Very high	94.8	Very high	88 Å²	88	46.2 Å²	46.2	47%	0.471	26%	0.257	S	S	.	.			trans	-63.7	129.7	176.2	-169.1	22.4	0	0	0	110.1	F556 S668 V669	D530-F556 WeakPolarHBondContact O-CB 3.46Å; D530-S668 VanDerWaalsContact OD2-CB 3.24Å; D530-S668 WeakPolarHBondContact OD2-CB 3.4Å; D530-S668 PolarHBondContact OD2-OG 2.77Å; D530-V669 HydrophobicContact CB-CG2 4.16Å; D530-V669 WeakPolarHBondContact OD2-CG2 3.33Å
531	C	96	Very high	94.6	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.2	-174.8	72	0	0	0	0	110.6	Y519 V521 V529 L554 V555 F556	Y519-C531 PolarHBondContact O-SG 3.44Å; V521-C531 HydrophobicContact CB-CB 4.42Å; V521-C531 HydrophobicContact CG2-CB 3.81Å; V529-C531 PolarHBondContact O-N 3.45Å; C531-L554 HydrophobicContact CB-CD1 3.87Å; C531-V555 CarbonylContact C-O 3.59Å; C531-V555 WeakPolarHBondContact CA-O 3.1Å; C531-F556 HydrophobicContact CB-CB 3.78Å; C531-F556 HydrophobicContact CB-CG 4.5Å
532	Q	94.9	Very high	94.3	Very high	65 Å²	65	52.8 Å²	52.8	30%	0.304	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147	-176.8	-66.3	-69	-27.3	0	0	109.6	V555 N667 S668 V669	Q532-V555 PolarHBondContact N-O 2.93Å; Q532-V555 PolarHBondContact O-N 2.71Å; Q532-N667 HydrophobicContact CG-CB 3.89Å; Q532-N667 WeakPolarHBondContact CG-OD1 3.46Å; Q532-S668 PolarHBondContact NE2-OG 3.03Å; Q532-V669 HydrophobicContact CB-CB 4.43Å; Q532-V669 HydrophobicContact CB-CG2 4.4Å; Q532-V669 HydrophobicContact CG-CB 3.96Å; Q532-V669 HydrophobicContact CG-CG2 3.65Å
533	V	93.9	Very high	94.1	Very high	18 Å²	18	51.4 Å²	51.4	11%	0.109	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.5	179.2	-179.4	0	0	0	0	108.7	Y519 N552 E553 L554	Y519-V533 HydrophobicContact CD2-CG2 3.89Å; V533-N552 HydrophobicContact CG1-CB 3.46Å; V533-N552 VanDerWaalsContact CG1-CB 3.46Å; V533-E553 WeakPolarHBondContact CA-O 3.49Å; V533-L554 HydrophobicContact CG2-CD1 3.99Å
534	L	93.2	Very high	94	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.8	180	-61	178.9	0	0	0	110.1	N552 E553 V555 F665 V670 E672	L534-N552 CarbonylContact O-C 3.46Å; L534-N552 VanDerWaalsContact O-CA 3.24Å; L534-N552 WeakPolarHBondContact O-CA 3.47Å; L534-E553 PolarHBondContact N-O 2.82Å; L534-E553 PolarHBondContact O-N 2.82Å; L534-V555 HydrophobicContact CD1-CG2 4.11Å; L534-V555 HydrophobicContact CG-CG2 4.46Å; L534-F665 HydrophobicContact CD2-CB 3.95Å; L534-F665 HydrophobicContact CD2-CD1 3.79Å; L534-F665 HydrophobicContact CD2-CG 4.03Å; L534-V670 HydrophobicContact CD1-CG1 3.92Å; L534-E672 HydrophobicContact CD1-CG 4.38Å
535	P	93.3	Very high	93.9	Very high	27 Å²	27	55.1 Å²	55.1	18%	0.175	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	139.8	173.5	27.5	-33.7	0	0	0	110.3	S537 F665 R674	P535-S537 PolarHBondContact O-N 2.89Å; P535-F665 HydrophobicContact CG-CE1 3.68Å; P535-F665 HydrophobicContact CG-CZ 3.58Å; P535-R674 PolarHBondContact O-NH1 2.63Å; P535-R674 PolarHBondContact O-NH2 3.09Å
536	V	93.3	Very high	93.7	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.036	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.5	130.4	172.6	178.9	0	0	0	0	108.3	T540 Q541 A550 K551 E553	V536-T540 HydrophobicContact CG1-CG2 3.97Å; V536-Q541 HydrophobicContact CB-CG 4.3Å; V536-Q541 HydrophobicContact CG1-CG 3.77Å; V536-Q541 PolarHBondContact O-NE2 3.39Å; V536-A550 HydrophobicContact CG2-CB 4.41Å; V536-K551 PolarHBondContact N-O 3.07Å; V536-E553 HydrophobicContact CB-CG 4.45Å; V536-E553 HydrophobicContact CG2-CG 3.65Å
537	S	91	Very high	93.8	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.035	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66	147.5	-178.3	76.5	0	0	0	0	111.9	P535 A539 T540 Q541	P535-S537 PolarHBondContact O-N 2.89Å; S537-A539 VanDerWaalsContact C-N 3.28Å; S537-A539 PolarHBondContact O-N 3.23Å; S537-T540 WeakPolarHBondContact O-CA 3.39Å; S537-T540 WeakPolarHBondContact O-CB 3.5Å; S537-T540 PolarHBondContact O-N 2.93Å; S537-T540 WeakPolarHBondContact OG-CB 3.25Å; S537-T540 PolarHBondContact OG-N 3.33Å; S537-T540 PolarHBondContact OG-OG1 2.89Å; S537-Q541 PolarHBondContact O-N 2.89Å
538	R	88.9	Confident	93.6	Very high	152 Å²	152	50.2 Å²	50.2	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-54.3	-44.2	176.7	-179.5	176.9	171.2	166.1	2.3	112.5	T540 Q541 E542	R538-T540 VanDerWaalsContact C-N 3.26Å; R538-T540 PolarHBondContact O-N 3.02Å; R538-Q541 WeakPolarHBondContact O-CB 3.2Å; R538-Q541 PolarHBondContact O-N 2.95Å; R538-Q541 VanDerWaalsContact O-N 3.14Å; R538-E542 HydrophobicContact CG-CG 4.44Å; R538-E542 WeakPolarHBondContact CG-OE1 3.36Å; R538-E542 IonicContact CZ-OE1 3.15Å; R538-E542 IonicContact NE-OE1 3.93Å; R538-E542 PolarHBondContact NE-OE1 3.21Å; R538-E542 IonicContact NH2-OE1 3.23Å; R538-E542 PolarHBondContact NH2-OE1 3.37Å; R538-E542 WeakPolarHBondContact O-CG 3.26Å; R538-E542 PolarHBondContact O-N 2.89Å
539	A	91.6	Very high	93.5	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-38.4	176.7	0	0	0	0	0	111.9	S537 E542 V543 S682	S537-A539 VanDerWaalsContact C-N 3.28Å; S537-A539 PolarHBondContact O-N 3.23Å; A539-E542 PolarHBondContact O-N 2.94Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 2.72Å; A539-V543 VanDerWaalsContact O-N 3.11Å; A539-S682 WeakPolarHBondContact CB-OG 3.37Å
540	T	94.9	Very high	93.4	Very high	2 Å²	2	50 Å²	50	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-70.2	-40.4	175.6	-55.3	0	0	0	0	112.3	S483 V536 S537 R538 E542 V543 R544 R827	S483-T540 VanDerWaalsContact OG-CG2 3.22Å; S483-T540 WeakPolarHBondContact OG-CG2 3.4Å; V536-T540 HydrophobicContact CG1-CG2 3.97Å; S537-T540 WeakPolarHBondContact O-CA 3.39Å; S537-T540 WeakPolarHBondContact O-CB 3.5Å; S537-T540 PolarHBondContact O-N 2.93Å; S537-T540 WeakPolarHBondContact OG-CB 3.25Å; S537-T540 PolarHBondContact OG-N 3.33Å; S537-T540 PolarHBondContact OG-OG1 2.89Å; R538-T540 VanDerWaalsContact C-N 3.26Å; R538-T540 PolarHBondContact O-N 3.02Å; T540-E542 VanDerWaalsContact C-N 3.3Å; T540-E542 PolarHBondContact O-N 3.03Å; T540-V543 PolarHBondContact O-N 3.29Å; T540-R544 WeakPolarHBondContact O-CB 3.24Å; T540-R544 PolarHBondContact O-N 3.09Å; T540-R827 PolarHBondContact OG1-NH1 3.41Å; T540-R827 PolarHBondContact OG1-NH2 2.79Å
541	Q	93.6	Very high	93.3	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-41.6	174.3	-65.7	173.8	-11.2	0	0	111.6	V536 S537 R538 R544 R545	V536-Q541 HydrophobicContact CB-CG 4.3Å; V536-Q541 HydrophobicContact CG1-CG 3.77Å; V536-Q541 PolarHBondContact O-NE2 3.39Å; S537-Q541 PolarHBondContact O-N 2.89Å; R538-Q541 WeakPolarHBondContact O-CB 3.2Å; R538-Q541 PolarHBondContact O-N 2.95Å; R538-Q541 VanDerWaalsContact O-N 3.14Å; Q541-R544 PolarHBondContact O-N 3.33Å; Q541-R545 PolarHBondContact O-N 3.49Å
542	E	92.3	Very high	93.3	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-42.3	177.9	-72.9	168.4	176.2	0	0	112.2	R538 A539 T540 R545	R538-E542 HydrophobicContact CG-CG 4.44Å; R538-E542 WeakPolarHBondContact CG-OE1 3.36Å; R538-E542 IonicContact CZ-OE1 3.15Å; R538-E542 IonicContact NE-OE1 3.93Å; R538-E542 PolarHBondContact NE-OE1 3.21Å; R538-E542 IonicContact NH2-OE1 3.23Å; R538-E542 PolarHBondContact NH2-OE1 3.37Å; R538-E542 WeakPolarHBondContact O-CG 3.26Å; R538-E542 PolarHBondContact O-N 2.89Å; A539-E542 PolarHBondContact O-N 2.94Å; T540-E542 VanDerWaalsContact C-N 3.3Å; T540-E542 PolarHBondContact O-N 3.03Å; E542-R545 VanDerWaalsContact O-CG 3.31Å; E542-R545 WeakPolarHBondContact O-CG 3.39Å
543	V	93.9	Very high	93.3	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.085	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-40.8	175.6	177.6	0	0	0	0	111.7	V482 A539 T540 R545 R547 T699 F820 V825	V482-V543 HydrophobicContact CG1-CB 4.46Å; V482-V543 HydrophobicContact CG1-CG1 3.56Å; A539-V543 WeakPolarHBondContact O-CG2 3.42Å; A539-V543 PolarHBondContact O-N 2.72Å; A539-V543 VanDerWaalsContact O-N 3.11Å; T540-V543 PolarHBondContact O-N 3.29Å; V543-R545 VanDerWaalsContact C-N 3.32Å; V543-R545 PolarHBondContact O-N 2.8Å; V543-R547 PolarHBondContact O-NH2 2.67Å; V543-T699 HydrophobicContact CG2-CG2 3.83Å; V543-F820 HydrophobicContact CG1-CZ 3.92Å; V543-F820 WeakPolarHBondContact O-CZ 3.3Å; V543-V825 HydrophobicContact CG2-CG1 3.82Å
544	R	94.3	Very high	93.5	Very high	16 Å²	16	48 Å²	48	6%	0.06	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-39.2	179.7	-176.5	174.6	76.1	180	-0.5	111.7	V482 S483 V484 T540 Q541 R547 G548 A550	V482-R544 HydrophobicContact CB-CB 4.48Å; V482-R544 WeakPolarHBondContact O-CB 3.42Å; V482-R544 VanDerWaalsContact O-CD 3.29Å; V482-R544 WeakPolarHBondContact O-CD 3.31Å; S483-R544 WeakPolarHBondContact O-CD 3.19Å; S483-R544 PolarHBondContact O-NH1 2.86Å; S483-R544 VanDerWaalsContact O-NH1 3.14Å; V484-R544 HydrophobicContact CG2-CG 3.39Å; T540-R544 WeakPolarHBondContact O-CB 3.24Å; T540-R544 PolarHBondContact O-N 3.09Å; Q541-R544 PolarHBondContact O-N 3.33Å; R544-R547 HydrophobicContact CG-CB 4.39Å; R544-R547 WeakPolarHBondContact O-CB 3.33Å; R544-R547 WeakPolarHBondContact O-CG 3.22Å; R544-R547 PolarHBondContact O-N 2.77Å; R544-R547 PolarHBondContact O-NE 2.95Å; R544-G548 VanDerWaalsContact CZ-C 3.47Å; R544-G548 PolarHBondContact NE-O 2.85Å; R544-G548 VanDerWaalsContact NE-O 3.07Å; R544-G548 PolarHBondContact NH2-O 2.71Å; R544-A550 VanDerWaalsContact NH1-CB 3.27Å; R544-A550 PolarHBondContact NH1-O 3.14Å; R544-A550 PolarHBondContact NH2-O 3.19Å
545	R	91.1	Very high	93.6	Very high	111 Å²	111	47.8 Å²	47.8	42%	0.419	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	54.1	-135.9	-170.2	-57	-174.8	171.3	-150.7	-1.7	110.2	Q541 E542 V543 R547 L819	Q541-R545 PolarHBondContact O-N 3.49Å; E542-R545 VanDerWaalsContact O-CG 3.31Å; E542-R545 WeakPolarHBondContact O-CG 3.39Å; V543-R545 VanDerWaalsContact C-N 3.32Å; V543-R545 PolarHBondContact O-N 2.8Å; R545-R547 VanDerWaalsContact C-N 3.29Å; R545-R547 PolarHBondContact O-N 3.06Å; R545-L819 PolarHBondContact NE-O 2.99Å; R545-L819 PolarHBondContact NH1-O 3.1Å; R545-L819 PolarHBondContact NH2-O 3.19Å
546	S	91.6	Very high	93.8	Very high	119 Å²	119	46.5 Å²	46.5	83%	0.832	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-81.9	4.1	-179	53.7	0	0	0	0	114.9	G548	S546-G548 VanDerWaalsContact C-N 3.25Å; S546-G548 PolarHBondContact O-N 3.31Å
547	R	94.2	Very high	93.9	Very high	82 Å²	82	47.9 Å²	47.9	31%	0.309	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-71.1	-16.9	-175.5	-66.4	-178.8	-72.6	171.3	-5.7	114.5	V484 V543 R544 R545	V484-R547 WeakPolarHBondContact CG1-O 3.42Å; V484-R547 HydrophobicContact CG2-CB 4.14Å; V543-R547 PolarHBondContact O-NH2 2.67Å; R544-R547 HydrophobicContact CG-CB 4.39Å; R544-R547 WeakPolarHBondContact O-CB 3.33Å; R544-R547 WeakPolarHBondContact O-CG 3.22Å; R544-R547 PolarHBondContact O-N 2.77Å; R544-R547 PolarHBondContact O-NE 2.95Å; R545-R547 VanDerWaalsContact C-N 3.29Å; R545-R547 PolarHBondContact O-N 3.06Å
548	G	94	Very high	94.2	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	22%	0.223	C	C	.	.			trans	-152.4	163.4	175.2	0	0	0	0	0	110.8	E489 R544 S546	E489-G548 WeakPolarHBondContact OE2-CA 3.1Å; R544-G548 VanDerWaalsContact CZ-C 3.47Å; R544-G548 PolarHBondContact NE-O 2.85Å; R544-G548 VanDerWaalsContact NE-O 3.07Å; R544-G548 PolarHBondContact NH2-O 2.71Å; S546-G548 VanDerWaalsContact C-N 3.25Å; S546-G548 PolarHBondContact O-N 3.31Å
549	F	95.2	Very high	94.5	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.539	22%	0.224	S	C	.	.			trans	-125	1.4	-173.2	61.2	-84.5	0	0	0	113.1	E489 N515 K551	E489-F549 HydrophobicContact CB-CE1 3.92Å; E489-F549 HydrophobicContact CB-CE2 3.99Å; E489-F549 HydrophobicContact CB-CZ 3.59Å; E489-F549 VanDerWaalsContact OE2-CD1 3.29Å; E489-F549 WeakPolarHBondContact OE2-CD1 3.4Å; E489-F549 PolarHBondContact OE2-N 3.44Å; N515-F549 WeakPolarHBondContact ND2-CD2 3.49Å; N515-F549 WeakPolarHBondContact ND2-CE2 3.25Å; N515-F549 PolarHBondContact OD1-O 2.97Å; F549-K551 PolarHBondContact O-N 3.31Å
550	A	95	Very high	94.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	22%	0.222	C	C	.	.			trans	-48.7	129.3	173	0	0	0	0	0	112.1	E489 P513 N515 V536 R544	E489-A550 HydrophobicContact CG-CB 3.72Å; E489-A550 PolarHBondContact OE2-N 3.37Å; P513-A550 HydrophobicContact CB-CB 3.52Å; N515-A550 WeakPolarHBondContact OD1-CA 3.25Å; V536-A550 HydrophobicContact CG2-CB 4.41Å; R544-A550 VanDerWaalsContact NH1-CB 3.27Å; R544-A550 PolarHBondContact NH1-O 3.14Å; R544-A550 PolarHBondContact NH2-O 3.19Å
551	K	94	Very high	94.9	Very high	142 Å²	142	49 Å²	49	62%	0.617	23%	0.229	S	C	*	.			trans	-89.1	-31.7	173.5	-65.3	175	-174.8	171	0	112.1	V514 N515 V536 F549	V514-K551 PolarHBondContact O-N 3.43Å; N515-K551 PolarHBondContact OD1-N 3Å; V536-K551 PolarHBondContact N-O 3.07Å; F549-K551 PolarHBondContact O-N 3.31Å
552	N	94.8	Very high	95.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171.9	-173.2	-57.1	-46.6	0	0	0	111.5	V514 N515 G516 V533 L534	V514-N552 HydrophobicContact CG2-CB 4.11Å; V514-N552 PolarHBondContact N-O 3.06Å; V514-N552 CarbonylContact O-C 3.58Å; V514-N552 PolarHBondContact O-N 2.85Å; N515-N552 PolarHBondContact O-ND2 2.87Å; G516-N552 PolarHBondContact O-ND2 2.92Å; V533-N552 HydrophobicContact CG1-CB 3.46Å; V533-N552 VanDerWaalsContact CG1-CB 3.46Å; L534-N552 CarbonylContact O-C 3.46Å; L534-N552 VanDerWaalsContact O-CA 3.24Å; L534-N552 WeakPolarHBondContact O-CA 3.47Å
553	E	95.8	Very high	95.3	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.033	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.3	174.4	-57.7	-178.7	105.6	0	0	108.8	S483 R511 L512 V533 L534 V536	S483-E553 PolarHBondContact OG-OE1 3.04Å; R511-E553 HydrophobicContact CG-CB 3.95Å; R511-E553 HydrophobicContact CG-CG 4.44Å; R511-E553 IonicContact CZ-OE2 2.68Å; R511-E553 IonicContact NE-OE1 2.92Å; R511-E553 PolarHBondContact NE-OE1 3.21Å; R511-E553 IonicContact NE-OE2 3.25Å; R511-E553 PolarHBondContact NE-OE2 3.22Å; R511-E553 IonicContact NH2-OE2 3.07Å; R511-E553 PolarHBondContact NH2-OE2 3.03Å; L512-E553 CarbonylContact O-C 3.59Å; L512-E553 WeakPolarHBondContact O-CA 3.49Å; V533-E553 WeakPolarHBondContact CA-O 3.49Å; L534-E553 PolarHBondContact N-O 2.82Å; L534-E553 PolarHBondContact O-N 2.82Å; V536-E553 HydrophobicContact CB-CG 4.45Å; V536-E553 HydrophobicContact CG2-CG 3.65Å
554	L	97.1	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.9	172.1	176.6	62.7	0	0	0	108.7	R511 L512 V514 Y519 V521 C531 V533 F556 V570	R511-L554 CarbonylContact C-O 3.59Å; R511-L554 WeakPolarHBondContact CA-O 3.48Å; L512-L554 HydrophobicContact CB-CB 4.49Å; L512-L554 PolarHBondContact N-O 3.08Å; L512-L554 PolarHBondContact O-N 3.28Å; V514-L554 HydrophobicContact CG1-CB 4Å; V514-L554 HydrophobicContact CG2-CB 3.92Å; Y519-L554 HydrophobicContact CD1-CD2 4.31Å; Y519-L554 HydrophobicContact CD2-CD1 4.29Å; Y519-L554 HydrophobicContact CD2-CD2 4.44Å; Y519-L554 HydrophobicContact CG-CD1 4.3Å; Y519-L554 HydrophobicContact CG-CD2 3.98Å; V521-L554 HydrophobicContact CG2-CD2 4.04Å; C531-L554 HydrophobicContact CB-CD1 3.87Å; V533-L554 HydrophobicContact CG2-CD1 3.99Å; L554-F556 HydrophobicContact CD2-CD1 4.28Å; L554-F556 HydrophobicContact CD2-CE1 3.99Å; L554-F556 HydrophobicContact CG-CD1 3.89Å; L554-F556 HydrophobicContact CG-CE1 3.99Å; L554-V570 HydrophobicContact CD2-CG1 3.56Å
555	V	96.8	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129	-177.6	-171.3	0	0	0	0	110.1	V510 R511 C531 Q532 L534 V669 V670 Y688	V510-V555 WeakPolarHBondContact O-CA 3.46Å; R511-V555 HydrophobicContact CG-CG2 4.1Å; C531-V555 CarbonylContact C-O 3.59Å; C531-V555 WeakPolarHBondContact CA-O 3.1Å; Q532-V555 PolarHBondContact N-O 2.93Å; Q532-V555 PolarHBondContact O-N 2.71Å; L534-V555 HydrophobicContact CD1-CG2 4.11Å; L534-V555 HydrophobicContact CG-CG2 4.46Å; V555-V669 HydrophobicContact CG1-CG1 4.11Å; V555-V670 HydrophobicContact CG1-CG1 4.11Å; V555-Y688 HydrophobicContact CG1-CE1 3.91Å
556	F	97	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	168.3	176.9	57.4	-77.4	0	0	0	109.9	L496 V510 L512 V521 V529 D530 C531 L554 V558	L496-F556 HydrophobicContact CD2-CE2 4Å; L496-F556 HydrophobicContact CD2-CZ 3.72Å; V510-F556 HydrophobicContact CB-CD2 4.49Å; V510-F556 HydrophobicContact CB-CE1 4.2Å; V510-F556 HydrophobicContact CB-CE2 4.18Å; V510-F556 HydrophobicContact CB-CZ 4.03Å; V510-F556 HydrophobicContact CG1-CD1 4.48Å; V510-F556 HydrophobicContact CG1-CE1 3.75Å; V510-F556 HydrophobicContact CG1-CE2 4.24Å; V510-F556 HydrophobicContact CG1-CZ 3.62Å; V510-F556 PolarHBondContact N-O 2.79Å; V510-F556 PolarHBondContact O-N 2.69Å; V510-F556 VanDerWaalsContact O-N 3.13Å; L512-F556 HydrophobicContact CD1-CE1 3.94Å; L512-F556 HydrophobicContact CD1-CZ 4.08Å; L512-F556 HydrophobicContact CG-CE1 4.27Å; V521-F556 HydrophobicContact CG1-CD2 3.91Å; V521-F556 HydrophobicContact CG1-CE2 3.86Å; V521-F556 HydrophobicContact CG1-CG 4.41Å; V521-F556 HydrophobicContact CG1-CZ 4.36Å; V521-F556 HydrophobicContact CG2-CD1 4.25Å; V521-F556 HydrophobicContact CG2-CE1 4.41Å; V521-F556 HydrophobicContact CG2-CG 4.36Å; V529-F556 HydrophobicContact CG1-CB 4.29Å; V529-F556 HydrophobicContact CG1-CD2 4.36Å; D530-F556 WeakPolarHBondContact O-CB 3.46Å; C531-F556 HydrophobicContact CB-CB 3.78Å; C531-F556 HydrophobicContact CB-CG 4.5Å; L554-F556 HydrophobicContact CD2-CD1 4.28Å; L554-F556 HydrophobicContact CD2-CE1 3.99Å; L554-F556 HydrophobicContact CG-CD1 3.89Å; L554-F556 HydrophobicContact CG-CE1 3.99Å; F556-V558 HydrophobicContact CD2-CG1 3.74Å; F556-V558 HydrophobicContact CE2-CG1 3.4Å; F556-V558 VanDerWaalsContact CE2-CG1 3.4Å; F556-V558 HydrophobicContact CZ-CG1 4.47Å
557	Q	95.7	Very high	96.3	Very high	34 Å²	34	29.2 Å²	29.2	16%	0.159	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137	173.6	-66.6	-167.1	-19.7	0	0	110.6	T507 V529 D690	T507-Q557 HydrophobicContact CG2-CB 4.13Å; V529-Q557 WeakPolarHBondContact CG1-O 3.36Å; Q557-D690 PolarHBondContact OE1-OD2 3.12Å
558	V	96.2	Very high	96.5	Very high	3 Å²	3	26 Å²	26	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	155.7	172.8	-60.7	0	0	0	0	109.7	L496 V498 T507 W508 V510 F556 Y568	L496-V558 HydrophobicContact CD2-CG1 4.28Å; V498-V558 HydrophobicContact CB-CG2 4.39Å; V498-V558 HydrophobicContact CG1-CG2 3.84Å; V498-V558 HydrophobicContact CG2-CB 4.11Å; V498-V558 HydrophobicContact CG2-CG1 4.13Å; V498-V558 HydrophobicContact CG2-CG2 3.9Å; T507-V558 CarbonylContact C-O 3.57Å; T507-V558 VanDerWaalsContact CA-O 3.25Å; T507-V558 WeakPolarHBondContact CA-O 3.07Å; W508-V558 HydrophobicContact CB-CG2 3.91Å; W508-V558 PolarHBondContact N-O 2.93Å; W508-V558 WeakPolarHBondContact O-CG2 3.44Å; W508-V558 PolarHBondContact O-N 3.38Å; V510-V558 HydrophobicContact CB-CG1 4.38Å; V510-V558 HydrophobicContact CG2-CB 4.3Å; V510-V558 HydrophobicContact CG2-CG1 3.71Å; V510-V558 HydrophobicContact CG2-CG2 3.6Å; F556-V558 HydrophobicContact CD2-CG1 3.74Å; F556-V558 HydrophobicContact CE2-CG1 3.4Å; F556-V558 VanDerWaalsContact CE2-CG1 3.4Å; F556-V558 HydrophobicContact CZ-CG1 4.47Å; V558-Y568 HydrophobicContact CB-CD2 4.41Å; V558-Y568 HydrophobicContact CB-CE1 4.46Å; V558-Y568 HydrophobicContact CB-CE2 3.68Å; V558-Y568 HydrophobicContact CG1-CD1 4.42Å; V558-Y568 HydrophobicContact CG1-CD2 3.96Å; V558-Y568 HydrophobicContact CG1-CE1 4.19Å; V558-Y568 HydrophobicContact CG1-CE2 3.71Å; V558-Y568 HydrophobicContact CG1-CG 4.33Å
559	R	96.3	Very high	96.6	Very high	159 Å²	159	26.7 Å²	26.7	60%	0.6	12%	0.121	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.7	172.2	-174	179.1	-178.6	-176.8	1.9	108.5	S505 V506 S566 Y568	S505-R559 WeakPolarHBondContact OG-CG 2.97Å; S505-R559 PolarHBondContact OG-NE 2.8Å; S505-R559 VanDerWaalsContact OG-NE 3.08Å; V506-R559 WeakPolarHBondContact O-CA 3.29Å; R559-S566 WeakPolarHBondContact O-CB 3.32Å; R559-S566 PolarHBondContact O-OG 3.37Å; R559-Y568 PolarHBondContact N-OH 2.99Å; R559-Y568 PolarHBondContact O-OH 3.22Å; R559-Y568 VanDerWaalsContact O-OH 3.04Å
560	A	96.5	Very high	96.8	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.9	175.8	0	0	0	0	0	110.6	V498 N500 S505 V506	V498-A560 HydrophobicContact CG1-CB 4.13Å; N500-A560 HydrophobicContact CB-CB 3.55Å; S505-A560 VanDerWaalsContact CA-O 3.27Å; S505-A560 WeakPolarHBondContact CA-O 3.11Å; S505-A560 PolarHBondContact OG-O 3.35Å; V506-A560 PolarHBondContact N-O 2.79Å; V506-A560 VanDerWaalsContact N-O 3.15Å; V506-A560 PolarHBondContact O-N 3.25Å
561	P	97.4	Very high	96.9	Very high	25 Å²	25	22.2 Å²	22.2	16%	0.162	11%	0.105	C	C	.	.			trans	-70.7	165.8	177.7	30.4	-37.1	0	0	0	111.7	N500 L563 S566 F872	N500-P561 WeakPolarHBondContact CB-O 3.36Å; N500-P561 PolarHBondContact ND2-O 3.03Å; P561-L563 PolarHBondContact O-N 2.74Å; P561-S566 WeakPolarHBondContact CD-OG 3.4Å; P561-F872 WeakPolarHBondContact CG-O 3.2Å
562	P	97.4	Very high	97	Very high	13 Å²	13	18 Å²	18	8%	0.084	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	133.6	174.1	-21.8	31.9	0	0	0	112.1	L502 G564 S873 L875 S878	L502-P562 CarbonylContact O-C 3.56Å; L502-P562 WeakPolarHBondContact O-CA 3.35Å; P562-G564 PolarHBondContact O-N 3.23Å; P562-G564 VanDerWaalsContact O-N 3.16Å; P562-S873 PolarHBondContact O-OG 3.11Å; P562-L875 HydrophobicContact CB-CB 4.4Å; P562-L875 HydrophobicContact CB-CD1 3.96Å; P562-S878 WeakPolarHBondContact CG-OG 3.09Å
563	L	97.9	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	51.2	175.9	-167.9	67.2	0	0	0	111.8	Q398 L402 Y499 N500 L502 P561 G874 L875 L885 L888 F924	Q398-L563 HydrophobicContact CB-CD1 4.04Å; Q398-L563 VanDerWaalsContact CD-CD1 3.44Å; Q398-L563 HydrophobicContact CG-CD1 3.8Å; L402-L563 HydrophobicContact CD1-CD1 4.37Å; L402-L563 HydrophobicContact CD1-CD2 4.25Å; L402-L563 HydrophobicContact CD1-CG 3.9Å; L402-L563 HydrophobicContact CD2-CD2 4.33Å; Y499-L563 WeakPolarHBondContact OH-CD1 3.26Å; N500-L563 CarbonylContact O-C 3.53Å; N500-L563 VanDerWaalsContact O-CA 3.22Å; N500-L563 WeakPolarHBondContact O-CA 3.4Å; N500-L563 PolarHBondContact O-N 2.88Å; L502-L563 PolarHBondContact O-N 2.53Å; P561-L563 PolarHBondContact O-N 2.74Å; L563-G874 WeakPolarHBondContact O-CA 3.3Å; L563-G874 PolarHBondContact O-N 3.33Å; L563-L875 HydrophobicContact CB-CD1 4.07Å; L563-L875 HydrophobicContact CB-CG 3.79Å; L563-L875 HydrophobicContact CD2-CD2 3.89Å; L563-L875 HydrophobicContact CD2-CG 3.91Å; L563-L885 HydrophobicContact CD1-CD2 3.81Å; L563-L885 HydrophobicContact CD2-CD2 3.87Å; L563-L885 HydrophobicContact CG-CD2 4.38Å; L563-L888 HydrophobicContact CD2-CD2 3.91Å; L563-F924 HydrophobicContact CD2-CD1 4.17Å; L563-F924 HydrophobicContact CD2-CE1 3.9Å
564	G	97.5	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	176.5	-159.7	0	0	0	0	0	113.1	Y499 N500 P562 F872	Y499-G564 CarbonylContact C-O 3.52Å; Y499-G564 WeakPolarHBondContact CA-O 3.29Å; Y499-G564 WeakPolarHBondContact CD2-O 3.13Å; N500-G564 PolarHBondContact N-O 3.17Å; N500-G564 PolarHBondContact O-N 2.99Å; N500-G564 VanDerWaalsContact O-N 3.14Å; P562-G564 PolarHBondContact O-N 3.23Å; P562-G564 VanDerWaalsContact O-N 3.16Å; G564-F872 CarbonylContact C-O 3.6Å; G564-F872 WeakPolarHBondContact CA-O 3.1Å
565	Y	97.8	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.7	-179.9	71.1	-97.3	0	0	0	113	L464 L467 T468 V498 R869 E871 F872	L464-Y565 HydrophobicContact CD2-CD1 3.67Å; L464-Y565 HydrophobicContact CD2-CE1 4.17Å; L464-Y565 HydrophobicContact CD2-CG 4.34Å; L467-Y565 HydrophobicContact CB-CE1 3.92Å; L467-Y565 PolarHBondContact O-OH 3.48Å; T468-Y565 WeakPolarHBondContact CA-OH 3.35Å; T468-Y565 HydrophobicContact CG2-CE1 4.02Å; T468-Y565 HydrophobicContact CG2-CE2 3.63Å; T468-Y565 WeakPolarHBondContact CG2-OH 3.41Å; T468-Y565 PolarHBondContact N-OH 3.1Å; V498-Y565 WeakPolarHBondContact O-CA 3.35Å; V498-Y565 WeakPolarHBondContact O-CB 3.28Å; Y565-R869 WeakPolarHBondContact CE2-O 3.46Å; Y565-R869 PolarHBondContact OH-O 3.41Å; Y565-E871 WeakPolarHBondContact O-CA 3.25Å; Y565-F872 HydrophobicContact CD1-CB 3.86Å; Y565-F872 HydrophobicContact CD1-CD1 4.08Å; Y565-F872 HydrophobicContact CD1-CG 4.38Å; Y565-F872 HydrophobicContact CE1-CB 3.37Å; Y565-F872 HydrophobicContact CE1-CD1 4.02Å; Y565-F872 AromaticContact CE1-CG 3.95Å; Y565-F872 HydrophobicContact CE1-CG 3.95Å; Y565-F872 HydrophobicContact CE2-CB 4.35Å; Y565-F872 PolarHBondContact N-O 2.82Å; Y565-F872 PolarHBondContact O-N 3.42Å
566	S	98	Very high	94.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.7	164.7	-65.4	0	0	0	0	109.6	V498 R559 P561 L870 E871	V498-S566 PolarHBondContact N-O 3.49Å; V498-S566 PolarHBondContact O-N 3.02Å; R559-S566 WeakPolarHBondContact O-CB 3.32Å; R559-S566 PolarHBondContact O-OG 3.37Å; P561-S566 WeakPolarHBondContact CD-OG 3.4Å; S566-L870 CarbonylContact C-O 3.4Å; S566-L870 WeakPolarHBondContact CA-O 3.49Å; S566-E871 PolarHBondContact OG-OE1 3.08Å
567	S	97.4	Very high	92.4	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.1	175.8	-66.5	0	0	0	0	111.3	L496 A524 L870	L496-S567 CarbonylContact O-C 3.56Å; L496-S567 VanDerWaalsContact O-CA 3.29Å; L496-S567 WeakPolarHBondContact O-CA 3.11Å; A524-S567 PolarHBondContact N-O 3.24Å; S567-L870 PolarHBondContact N-O 2.6Å
568	Y	98	Very high	90.6	Very high	14 Å²	14	43.8 Å²	43.8	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.9	178.8	-67.3	-95.7	0	0	0	109.4	S495 L496 V498 V521 T522 D523 V529 V558 R559	S495-Y568 CarbonylContact C-O 3.48Å; S495-Y568 WeakPolarHBondContact CA-O 3.22Å; L496-Y568 PolarHBondContact N-O 3.44Å; L496-Y568 PolarHBondContact O-N 3.48Å; V498-Y568 HydrophobicContact CG2-CD2 4.12Å; V498-Y568 HydrophobicContact CG2-CE2 4.14Å; V521-Y568 HydrophobicContact CG1-CD1 4.26Å; T522-Y568 CarbonylContact O-C 3.54Å; T522-Y568 VanDerWaalsContact O-CA 3.23Å; T522-Y568 WeakPolarHBondContact O-CA 3.21Å; D523-Y568 HydrophobicContact CB-CD1 4.05Å; D523-Y568 HydrophobicContact CB-CE1 3.66Å; V529-Y568 HydrophobicContact CG2-CD1 4.12Å; V529-Y568 HydrophobicContact CG2-CE1 3.94Å; V558-Y568 HydrophobicContact CB-CD2 4.41Å; V558-Y568 HydrophobicContact CB-CE1 4.46Å; V558-Y568 HydrophobicContact CB-CE2 3.68Å; V558-Y568 HydrophobicContact CG1-CD1 4.42Å; V558-Y568 HydrophobicContact CG1-CD2 3.96Å; V558-Y568 HydrophobicContact CG1-CE1 4.19Å; V558-Y568 HydrophobicContact CG1-CE2 3.71Å; V558-Y568 HydrophobicContact CG1-CG 4.33Å; R559-Y568 PolarHBondContact N-OH 2.99Å; R559-Y568 PolarHBondContact O-OH 3.22Å; R559-Y568 VanDerWaalsContact O-OH 3.04Å
569	S	97.5	Very high	88.7	Confident	26 Å²	26	48.8 Å²	48.8	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.6	171.6	-175.7	0	0	0	0	110.1	V521 T522	V521-S569 WeakPolarHBondContact CA-O 3.46Å; T522-S569 PolarHBondContact N-O 2.84Å; T522-S569 PolarHBondContact O-N 3.1Å; T522-S569 WeakPolarHBondContact OG1-CB 3.46Å; T522-S569 PolarHBondContact OG1-O 3.41Å
570	V	98.1	Very high	87	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.2	-179.5	-175.7	0	0	0	0	108.7	K493 F494 Y519 A520 V521 L554	K493-V570 WeakPolarHBondContact CA-O 3.47Å; F494-V570 HydrophobicContact CD1-CB 4.42Å; F494-V570 HydrophobicContact CD2-CB 4.01Å; F494-V570 HydrophobicContact CD2-CG2 4.24Å; F494-V570 HydrophobicContact CE1-CB 4.03Å; F494-V570 HydrophobicContact CE1-CG1 3.8Å; F494-V570 HydrophobicContact CE2-CB 3.56Å; F494-V570 HydrophobicContact CE2-CG1 3.98Å; F494-V570 HydrophobicContact CE2-CG2 3.61Å; F494-V570 HydrophobicContact CG-CB 4.42Å; F494-V570 HydrophobicContact CZ-CB 3.58Å; F494-V570 HydrophobicContact CZ-CG1 3.45Å; F494-V570 VanDerWaalsContact CZ-CG1 3.45Å; F494-V570 HydrophobicContact CZ-CG2 3.98Å; F494-V570 PolarHBondContact N-O 3.31Å; F494-V570 PolarHBondContact O-N 3.17Å; Y519-V570 HydrophobicContact CD1-CG1 3.81Å; Y519-V570 HydrophobicContact CG-CG1 4.48Å; A520-V570 WeakPolarHBondContact O-CA 3.5Å; V521-V570 HydrophobicContact CG1-CG2 4.41Å; V521-V570 HydrophobicContact CG2-CG1 4.41Å; V521-V570 HydrophobicContact CG2-CG2 4.27Å; L554-V570 HydrophobicContact CD2-CG1 3.56Å
571	S	97.4	Very high	85.4	Confident	30 Å²	30	48.6 Å²	48.6	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.8	-179.6	-60.9	0	0	0	0	111.1	K493 Y519 A520	K493-S571 VanDerWaalsContact CE-OG 3.26Å; K493-S571 WeakPolarHBondContact CE-OG 3.39Å; Y519-S571 CarbonylContact C-O 3.58Å; Y519-S571 VanDerWaalsContact CA-O 3.28Å; Y519-S571 WeakPolarHBondContact CA-O 3.31Å; A520-S571 PolarHBondContact N-O 3.1Å; A520-S571 PolarHBondContact O-N 2.61Å
572	L	96.4	Very high	84.1	Confident	53 Å²	53	49.1 Å²	49.1	28%	0.277	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.5	172.8	177.4	63.3	0	0	0	110.1	S492 Y519 Q574	S492-L572 VanDerWaalsContact O-CB 3.3Å; S492-L572 WeakPolarHBondContact O-CB 3.27Å; S492-L572 PolarHBondContact O-N 3.48Å; Y519-L572 HydrophobicContact CD1-CB 4.28Å; Y519-L572 HydrophobicContact CD1-CD1 4.47Å; Y519-L572 HydrophobicContact CE1-CB 3.86Å; Y519-L572 HydrophobicContact CE1-CD1 3.89Å; Y519-L572 HydrophobicContact CE1-CG 4.49Å; Y519-L572 HydrophobicContact CE2-CD1 4Å; L572-Q574 VanDerWaalsContact CD1-O 3.24Å; L572-Q574 WeakPolarHBondContact CD1-O 3.44Å
573	L	94.7	Very high	83	Confident	112 Å²	112	54.3 Å²	54.3	59%	0.586	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	-40.3	175.5	-62.1	178.7	0	0	0	112.2	A518 A520	A518-L573 HydrophobicContact CB-CB 4.19Å; A518-L573 PolarHBondContact O-N 3.1Å; A520-L573 HydrophobicContact CB-CD1 4.01Å; A520-L573 HydrophobicContact CB-CD2 4Å; A520-L573 HydrophobicContact CB-CG 4.08Å
574	Q	88.9	Confident	82	Confident	127 Å²	127	59.7 Å²	59.7	59%	0.593	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.1	-176.7	-62.3	-178.3	-8.1	0	0	111.2	T517 A518 L572	T517-Q574 PolarHBondContact N-O 3.17Å; T517-Q574 PolarHBondContact OG1-O 3.2Å; A518-Q574 HydrophobicContact CB-CB 3.97Å; A518-Q574 HydrophobicContact CB-CG 4.2Å; A518-Q574 PolarHBondContact N-O 2.82Å; A518-Q574 PolarHBondContact O-N 3.35Å; L572-Q574 VanDerWaalsContact CD1-O 3.24Å; L572-Q574 WeakPolarHBondContact CD1-O 3.44Å
575	D	80	Confident	80.8	Confident	128 Å²	128	67.8 Å²	67.8	68%	0.684	39%	0.389	S	S	*	.			trans	-108.4	127.2	171	-163.7	5.4	0	0	0	108.5
576	G	64.4	Low	79.2	Confident	31 Å²	31	68.7 Å²	68.7	32%	0.32	40%	0.396	S	S	.	.	S	Bend	trans	176.3	-176.4	-171.9	0	0	0	0	0	114.5	T517	T517-G576 WeakPolarHBondContact CG2-O 3.38Å
577	P	56.8	Low	78.1	Confident	115 Å²	115	69.4 Å²	69.4	75%	0.747	40%	0.401	S	S	*	.	S	Bend	trans	-75.6	150.4	172	29.9	-31.7	0	0	0	111.6	T517	T517-P577 WeakPolarHBondContact CG2-O 3.19Å
578	P	58	Low	77.6	Confident	73 Å²	73	74.9 Å²	74.9	47%	0.474	43%	0.434	S	S	.	.			trans	-55.1	138.9	-173.7	-15.4	22.2	0	0	0	112.9
579	S	57.2	Low	77.4	Confident	108 Å²	108	75.8 Å²	75.8	76%	0.755	44%	0.442	S	S	*	.	S	Bend	trans	-78.8	-24.1	-176.7	56.6	0	0	0	0	114.2
580	S	59.3	Low	77.4	Confident	42 Å²	42	74.5 Å²	74.5	29%	0.294	43%	0.434	S	S	.	.			trans	-109	114.7	-176.6	63.7	0	0	0	0	112.2
581	S	64	Low	77.3	Confident	115 Å²	115	78.5 Å²	78.5	80%	0.804	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-72.9	129.8	164.4	-56	0	0	0	0	109.8
582	P	69.2	Low	77.2	Confident	37 Å²	37	78 Å²	78	24%	0.24	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-62.3	141.9	175.6	23.8	-31.1	0	0	0	110.7	E663 F665	P582-E663 HydrophobicContact CB-CB 4.13Å; P582-E663 HydrophobicContact CB-CG 4.1Å; P582-F665 HydrophobicContact CB-CE1 4.17Å; P582-F665 HydrophobicContact CB-CE2 4.22Å; P582-F665 HydrophobicContact CB-CZ 3.69Å; P582-F665 HydrophobicContact CG-CZ 4.41Å
583	Q	74.5	Confident	77.1	Confident	121 Å²	121	82.4 Å²	82.4	57%	0.565	46%	0.464	S	S	*	.	B	Isolated β-bridge	trans	-82.8	137.9	166.1	-66	-179.8	-6.1	0	0	109.4	E663 I664	Q583-E663 WeakPolarHBondContact O-CA 3.46Å; Q583-I664 HydrophobicContact CB-CB 4.39Å; Q583-I664 HydrophobicContact CB-CD1 4.4Å; Q583-I664 PolarHBondContact O-N 3.28Å; Q583-I664 VanDerWaalsContact O-N 3.08Å
584	H	76.1	Confident	77.3	Confident	113 Å²	113	78 Å²	78	52%	0.523	44%	0.44	S	S	.	.			trans	-105.9	2.3	-172	-67.3	-57.8	0	0	0	114.8	E663	H584-E663 IonicContact CE1-OE1 3.15Å
585	Q	72.1	Confident	77.7	Confident	170 Å²	170	72 Å²	72	79%	0.794	41%	0.412	S	S	*	.	S	Bend	trans	-109.6	128.2	175.1	-76.8	-179	-14.9	0	0	109.7	I664	Q585-I664 WeakPolarHBondContact O-CD1 3.48Å
586	A	64.9	Low	78.6	Confident	19 Å²	19	68.3 Å²	68.3	16%	0.157	39%	0.391	C	S	.	.			trans	-48.8	132.2	-177.5	0	0	0	0	0	111.7	V662	A586-V662 HydrophobicContact CB-CG2 3.94Å
587	P	75.9	Confident	80.2	Confident	16 Å²	16	66.8 Å²	66.8	10%	0.104	38%	0.376	C	S	.	.			trans	-74	151	-179.8	32.4	-23.4	0	0	0	107.7	S589 I590 F599 I664 V673	P587-S589 PolarHBondContact O-N 3.1Å; P587-I590 HydrophobicContact CG-CG2 4.19Å; P587-F599 HydrophobicContact CG-CD2 3.98Å; P587-F599 HydrophobicContact CG-CE2 4.25Å; P587-I664 HydrophobicContact CB-CD1 4Å; P587-I664 HydrophobicContact CB-CG2 4.49Å; P587-I664 HydrophobicContact CG-CD1 3.77Å; P587-I664 HydrophobicContact CG-CG1 3.95Å; P587-I664 HydrophobicContact CG-CG2 4.2Å; P587-V673 HydrophobicContact CG-CG2 3.82Å
588	T	86.2	Confident	82.1	Confident	123 Å²	123	63.1 Å²	63.1	76%	0.755	35%	0.351	S	S	*	.	S	Bend	trans	-59	-36.6	171.5	-47.1	0	0	0	0	110.8	T598 F599	T588-T598 WeakPolarHBondContact O-CA 3.45Å; T588-F599 PolarHBondContact O-N 3.35Å
589	S	94.4	Very high	84	Confident	32 Å²	32	60 Å²	60	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.8	173.8	65	0	0	0	0	113.1	P587 Q596 V597 Q666	P587-S589 PolarHBondContact O-N 3.1Å; S589-Q596 PolarHBondContact OG-NE2 3.22Å; S589-V597 CarbonylContact C-O 3.56Å; S589-V597 WeakPolarHBondContact CA-O 3.5Å; S589-V597 VanDerWaalsContact CB-O 3.24Å; S589-V597 WeakPolarHBondContact CB-O 3.35Å; S589-Q666 PolarHBondContact O-NE2 2.92Å
590	I	96.2	Very high	85.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.8	156.8	65.2	179.2	0	0	0	109	P587 Q596 V597 F599 Q671 V673 V685 L687	P587-I590 HydrophobicContact CG-CG2 4.19Å; I590-Q596 WeakPolarHBondContact O-CA 3.5Å; I590-V597 HydrophobicContact CD1-CB 4.46Å; I590-V597 HydrophobicContact CG1-CB 3.88Å; I590-V597 HydrophobicContact CG1-CG2 4.33Å; I590-V597 PolarHBondContact N-O 2.88Å; I590-V597 PolarHBondContact O-N 3.16Å; I590-F599 HydrophobicContact CD1-CE2 4.32Å; I590-F599 HydrophobicContact CD1-CZ 4.18Å; I590-F599 HydrophobicContact CG1-CE2 3.96Å; I590-F599 HydrophobicContact CG1-CZ 4.3Å; I590-F599 HydrophobicContact CG2-CE2 4.15Å; I590-Q671 VanDerWaalsContact CA-OE1 3.3Å; I590-Q671 HydrophobicContact CB-CB 3.9Å; I590-Q671 HydrophobicContact CG2-CB 4.05Å; I590-V673 HydrophobicContact CD1-CG2 4.5Å; I590-V673 HydrophobicContact CG2-CG2 3.79Å; I590-V685 HydrophobicContact CD1-CG1 4.31Å; I590-L687 HydrophobicContact CD1-CB 3.89Å; I590-L687 HydrophobicContact CG1-CB 4.39Å; I590-L687 HydrophobicContact CG1-CD2 4.38Å
591	Q	96.4	Very high	87.2	Confident	84 Å²	84	60.2 Å²	60.2	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139.5	-173.3	-179.7	176.9	-34.8	0	0	112	L595 Q596 L612 Q671	Q591-L595 WeakPolarHBondContact CA-O 3.43Å; Q591-Q596 HydrophobicContact CB-CB 4.34Å; Q591-Q596 HydrophobicContact CB-CG 4.23Å; Q591-Q596 HydrophobicContact CG-CB 4.16Å; Q591-Q596 HydrophobicContact CG-CG 4.46Å; Q591-L612 HydrophobicContact CG-CD1 3.83Å; Q591-Q671 PolarHBondContact O-NE2 2.88Å
592	N	95.7	Very high	88.5	Confident	18 Å²	18	60.6 Å²	60.6	10%	0.096	32%	0.318	C	S	.	.			trans	-120.3	-161.3	167.1	75.1	0.9	0	0	0	110.7	F594 L595 L687 Y688 A689 S691	N592-F594 PolarHBondContact O-N 3.35Å; N592-F594 PolarHBondContact OD1-N 2.94Å; N592-L595 PolarHBondContact N-O 3.28Å; N592-L595 PolarHBondContact OD1-N 3.14Å; N592-L595 PolarHBondContact OD1-O 3.11Å; N592-L687 HydrophobicContact CB-CD2 3.9Å; N592-L687 HydrophobicContact CB-CG 3.88Å; N592-L687 VanDerWaalsContact ND2-CD1 3.34Å; N592-L687 WeakPolarHBondContact ND2-CD1 3.26Å; N592-L687 WeakPolarHBondContact ND2-CG 3.24Å; N592-Y688 PolarHBondContact ND2-O 3.14Å; N592-A689 WeakPolarHBondContact CB-O 3.31Å; N592-A689 PolarHBondContact ND2-O 3.31Å; N592-S691 PolarHBondContact ND2-O 3.37Å
593	K	95.2	Very high	89.7	Confident	146 Å²	146	60.4 Å²	60.4	64%	0.635	32%	0.316	S	S	*	.	S	Bend	trans	-62.1	-28.2	178.6	-178.7	176.7	173.3	-176.2	0	113.9
594	F	97.2	Very high	90.7	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.088	29%	0.291	C	S	.	.	S	Bend	trans	-114.1	-37.7	-165.8	-57.8	-64.5	0	0	0	113.3	N592 L612 E613 S691 K692	N592-F594 PolarHBondContact O-N 3.35Å; N592-F594 PolarHBondContact OD1-N 2.94Å; F594-L612 WeakPolarHBondContact O-CB 3.47Å; F594-L612 PolarHBondContact O-N 2.81Å; F594-E613 HydrophobicContact CD1-CG 3.96Å; F594-E613 VanDerWaalsContact CD1-OE2 3.3Å; F594-E613 WeakPolarHBondContact CD1-OE2 3.21Å; F594-E613 WeakPolarHBondContact CE1-OE1 3.31Å; F594-S691 WeakPolarHBondContact CD2-O 3.21Å; F594-K692 HydrophobicContact CB-CG 4.2Å; F594-K692 HydrophobicContact CD1-CD 4.44Å; F594-K692 HydrophobicContact CD1-CG 4.11Å; F594-K692 HydrophobicContact CD2-CG 3.87Å; F594-K692 HydrophobicContact CE1-CG 4.44Å; F594-K692 HydrophobicContact CE2-CG 4.21Å; F594-K692 HydrophobicContact CG-CG 3.8Å; F594-K692 HydrophobicContact CZ-CG 4.48Å
595	L	98.1	Very high	91.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.3	-170.5	-58.6	-179.9	0	0	0	111.5	Q591 N592 S610 N611 L687 K692 V694	Q591-L595 WeakPolarHBondContact CA-O 3.43Å; N592-L595 PolarHBondContact N-O 3.28Å; N592-L595 PolarHBondContact OD1-N 3.14Å; N592-L595 PolarHBondContact OD1-O 3.11Å; L595-S610 VanDerWaalsContact CA-O 3.28Å; L595-S610 WeakPolarHBondContact CA-O 3.4Å; L595-N611 HydrophobicContact CD2-CB 4.07Å; L595-L687 HydrophobicContact CB-CD1 4.11Å; L595-L687 HydrophobicContact CB-CD2 4.37Å; L595-L687 HydrophobicContact CD1-CD1 4.11Å; L595-K692 WeakPolarHBondContact CD1-O 3.32Å; L595-V694 HydrophobicContact CD1-CG2 3.8Å
596	Q	98.1	Very high	92.8	Very high	50 Å²	50	42.1 Å²	42.1	23%	0.234	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.1	165.9	-178.1	179.9	44.6	0	0	109.4	S589 I590 Q591 S610 L612	S589-Q596 PolarHBondContact OG-NE2 3.22Å; I590-Q596 WeakPolarHBondContact O-CA 3.5Å; Q591-Q596 HydrophobicContact CB-CB 4.34Å; Q591-Q596 HydrophobicContact CB-CG 4.23Å; Q591-Q596 HydrophobicContact CG-CB 4.16Å; Q591-Q596 HydrophobicContact CG-CG 4.46Å; Q596-S610 PolarHBondContact N-O 3.15Å; Q596-S610 PolarHBondContact O-N 3.03Å; Q596-L612 HydrophobicContact CB-CD2 4.12Å
597	V	98.2	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.8	176.2	-173.8	0	0	0	0	108.3	S589 I590 F599 L606 L609 V694	S589-V597 CarbonylContact C-O 3.56Å; S589-V597 WeakPolarHBondContact CA-O 3.5Å; S589-V597 VanDerWaalsContact CB-O 3.24Å; S589-V597 WeakPolarHBondContact CB-O 3.35Å; I590-V597 HydrophobicContact CD1-CB 4.46Å; I590-V597 HydrophobicContact CG1-CB 3.88Å; I590-V597 HydrophobicContact CG1-CG2 4.33Å; I590-V597 PolarHBondContact N-O 2.88Å; I590-V597 PolarHBondContact O-N 3.16Å; V597-F599 HydrophobicContact CB-CE2 4.45Å; V597-F599 HydrophobicContact CG1-CE2 4.17Å; V597-F599 HydrophobicContact CG1-CZ 3.99Å; V597-L606 HydrophobicContact CG1-CD2 3.72Å; V597-L606 HydrophobicContact CG1-CG 3.76Å; V597-L609 HydrophobicContact CG2-CD1 4.04Å; V597-V694 HydrophobicContact CG2-CB 4.5Å; V597-V694 HydrophobicContact CG2-CG1 4.14Å; V597-V694 HydrophobicContact CG2-CG2 3.51Å
598	T	97.8	Very high	95.4	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	151.9	178.6	61.7	0	0	0	0	110.9	T588 S607 G608	T588-T598 WeakPolarHBondContact O-CA 3.45Å; T598-S607 VanDerWaalsContact C-OG 3.25Å; T598-S607 WeakPolarHBondContact CB-OG 3.42Å; T598-S607 PolarHBondContact O-N 3.01Å; T598-S607 PolarHBondContact O-OG 2.8Å; T598-S607 PolarHBondContact OG1-OG 2.94Å; T598-G608 PolarHBondContact N-O 3.21Å; T598-G608 VanDerWaalsContact OG1-CA 3.23Å; T598-G608 WeakPolarHBondContact OG1-CA 3.36Å; T598-G608 PolarHBondContact OG1-N 2.78Å
599	F	97.1	Very high	96	Very high	7 Å²	7	37 Å²	37	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149	177.4	-56.4	-97.4	0	0	0	110.7	P587 T588 I590 V597 L605 L606 S607 V673 V685	P587-F599 HydrophobicContact CG-CD2 3.98Å; P587-F599 HydrophobicContact CG-CE2 4.25Å; T588-F599 PolarHBondContact O-N 3.35Å; I590-F599 HydrophobicContact CD1-CE2 4.32Å; I590-F599 HydrophobicContact CD1-CZ 4.18Å; I590-F599 HydrophobicContact CG1-CE2 3.96Å; I590-F599 HydrophobicContact CG1-CZ 4.3Å; I590-F599 HydrophobicContact CG2-CE2 4.15Å; V597-F599 HydrophobicContact CB-CE2 4.45Å; V597-F599 HydrophobicContact CG1-CE2 4.17Å; V597-F599 HydrophobicContact CG1-CZ 3.99Å; F599-L605 CarbonylContact C-O 3.55Å; F599-L605 WeakPolarHBondContact CA-O 3.44Å; F599-L605 WeakPolarHBondContact CB-O 2.91Å; F599-L606 HydrophobicContact CD1-CD1 4.23Å; F599-L606 HydrophobicContact CE1-CD1 3.66Å; F599-L606 HydrophobicContact CE1-CG 4.16Å; F599-L606 HydrophobicContact CZ-CD1 4.46Å; F599-S607 PolarHBondContact N-OG 2.68Å; F599-V673 HydrophobicContact CD1-CG1 4.39Å; F599-V673 HydrophobicContact CD2-CG2 4.42Å; F599-V673 HydrophobicContact CE1-CB 3.93Å; F599-V673 HydrophobicContact CE1-CG1 3.99Å; F599-V673 HydrophobicContact CE1-CG2 3.99Å; F599-V673 HydrophobicContact CE2-CG2 3.69Å; F599-V673 HydrophobicContact CZ-CB 3.81Å; F599-V673 HydrophobicContact CZ-CG1 4.31Å; F599-V673 HydrophobicContact CZ-CG2 3.43Å; F599-V673 VanDerWaalsContact CZ-CG2 3.43Å; F599-V685 HydrophobicContact CE1-CB 4.37Å; F599-V685 HydrophobicContact CE1-CG1 4.32Å; F599-V685 HydrophobicContact CE1-CG2 4.25Å; F599-V685 HydrophobicContact CZ-CB 4.34Å; F599-V685 HydrophobicContact CZ-CG1 4.02Å
600	D	94.5	Very high	96.2	Very high	56 Å²	56	36 Å²	36	30%	0.299	19%	0.194	S	C	.	.			trans	-78.2	123.8	169.7	175.9	-68	0	0	0	109.1	D602 T603 G604 L605	D600-D602 VanDerWaalsContact C-N 3.31Å; D600-D602 PolarHBondContact O-N 3.04Å; D600-D602 WeakPolarHBondContact OD1-CA 3.39Å; D600-D602 PolarHBondContact OD1-N 3.15Å; D600-T603 VanDerWaalsContact CB-OG1 3.26Å; D600-T603 WeakPolarHBondContact CB-OG1 3.25Å; D600-T603 PolarHBondContact OD1-N 2.96Å; D600-T603 PolarHBondContact OD1-OG1 2.9Å; D600-G604 VanDerWaalsContact O-CA 3.26Å; D600-G604 WeakPolarHBondContact O-CA 3.28Å; D600-G604 PolarHBondContact O-N 3.24Å; D600-L605 PolarHBondContact N-O 3.24Å
601	P	90.3	Very high	96.3	Very high	99 Å²	99	36.1 Å²	36.1	64%	0.643	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.2	-174	28.4	-35	0	0	0	113.8
602	D	91.1	Very high	96.4	Very high	122 Å²	122	35.1 Å²	35.1	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-27.5	-176.2	-68.7	-38.2	0	0	0	112.5	D600 K659	D600-D602 VanDerWaalsContact C-N 3.31Å; D600-D602 PolarHBondContact O-N 3.04Å; D600-D602 WeakPolarHBondContact OD1-CA 3.39Å; D600-D602 PolarHBondContact OD1-N 3.15Å; D602-K659 WeakPolarHBondContact O-CD 3.31Å; D602-K659 WeakPolarHBondContact O-CE 3.34Å; D602-K659 PolarHBondContact O-NZ 2.6Å
603	T	94.4	Very high	96.4	Very high	34 Å²	34	39 Å²	39	21%	0.209	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-23.8	-176.7	64	0	0	0	0	113.3	D600 L605 K659 A660	D600-T603 VanDerWaalsContact CB-OG1 3.26Å; D600-T603 WeakPolarHBondContact CB-OG1 3.25Å; D600-T603 PolarHBondContact OD1-N 2.96Å; D600-T603 PolarHBondContact OD1-OG1 2.9Å; T603-L605 PolarHBondContact O-N 3.45Å; T603-L605 PolarHBondContact OG1-N 3.32Å; T603-K659 HydrophobicContact CG2-CG 4.48Å; T603-K659 CarbonylContact O-C 3.55Å; T603-K659 WeakPolarHBondContact O-CA 3.45Å; T603-A660 PolarHBondContact O-N 3.29Å
604	G	94.6	Very high	96.5	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	19%	0.194	C	C	.	.			trans	73.9	9	-175.3	0	0	0	0	0	114.5	D600 Q675	D600-G604 VanDerWaalsContact O-CA 3.26Å; D600-G604 WeakPolarHBondContact O-CA 3.28Å; D600-G604 PolarHBondContact O-N 3.24Å; G604-Q675 PolarHBondContact O-NE2 2.97Å
605	L	96.5	Very high	96.4	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	23%	0.228	C	C	.	.			trans	-87	159.3	-178.8	-56.2	-177.1	0	0	0	111.7	F599 D600 T603 N623 A660 F677	F599-L605 CarbonylContact C-O 3.55Å; F599-L605 WeakPolarHBondContact CA-O 3.44Å; F599-L605 WeakPolarHBondContact CB-O 2.91Å; D600-L605 PolarHBondContact N-O 3.24Å; T603-L605 PolarHBondContact O-N 3.45Å; T603-L605 PolarHBondContact OG1-N 3.32Å; L605-N623 HydrophobicContact CD1-CB 4.44Å; L605-A660 HydrophobicContact CD2-CB 4.13Å; L605-F677 HydrophobicContact CD2-CD1 4.41Å; L605-F677 HydrophobicContact CD2-CE1 3.38Å; L605-F677 HydrophobicContact CD2-CZ 3.79Å
606	L	96.6	Very high	96.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	140.2	168	-91.6	78.2	0	0	0	109.6	V597 F599 L620 S621 Q622 V685	V597-L606 HydrophobicContact CG1-CD2 3.72Å; V597-L606 HydrophobicContact CG1-CG 3.76Å; F599-L606 HydrophobicContact CD1-CD1 4.23Å; F599-L606 HydrophobicContact CE1-CD1 3.66Å; F599-L606 HydrophobicContact CE1-CG 4.16Å; F599-L606 HydrophobicContact CZ-CD1 4.46Å; L606-L620 CarbonylContact C-O 3.48Å; L606-L620 HydrophobicContact CD2-CD2 4.09Å; L606-S621 WeakPolarHBondContact O-CA 3.03Å; L606-Q622 HydrophobicContact CB-CB 4.32Å; L606-V685 HydrophobicContact CD1-CB 4.36Å; L606-V685 HydrophobicContact CD1-CG1 4.01Å; L606-V685 HydrophobicContact CD1-CG2 3.49Å; L606-V685 VanDerWaalsContact CD1-CG2 3.49Å
607	S	96.9	Very high	96.4	Very high	45 Å²	45	45.3 Å²	45.3	32%	0.315	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-17.6	177.7	63.3	0	0	0	0	113.9	T598 F599 L620	T598-S607 VanDerWaalsContact C-OG 3.25Å; T598-S607 WeakPolarHBondContact CB-OG 3.42Å; T598-S607 PolarHBondContact O-N 3.01Å; T598-S607 PolarHBondContact O-OG 2.8Å; T598-S607 PolarHBondContact OG1-OG 2.94Å; F599-S607 PolarHBondContact N-OG 2.68Å; S607-L620 CarbonylContact C-O 3.38Å; S607-L620 WeakPolarHBondContact CA-O 3.14Å; S607-L620 PolarHBondContact N-O 2.88Å; S607-L620 PolarHBondContact O-N 3.38Å; S607-L620 VanDerWaalsContact O-N 3.15Å
608	G	98.1	Very high	96.4	Very high	5 Å²	5	45.4 Å²	45.4	5%	0.052	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	156.7	-176.8	0	0	0	0	0	113.6	T598 I618 L620	T598-G608 PolarHBondContact N-O 3.21Å; T598-G608 VanDerWaalsContact OG1-CA 3.23Å; T598-G608 WeakPolarHBondContact OG1-CA 3.36Å; T598-G608 PolarHBondContact OG1-N 2.78Å; G608-I618 WeakPolarHBondContact CA-O 3.47Å; G608-L620 PolarHBondContact N-O 2.84Å
609	L	98.6	Very high	96.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.7	175	175.8	61.5	0	0	0	108.8	V597 I618 L620 V694 L775 L834	V597-L609 HydrophobicContact CG2-CD1 4.04Å; L609-I618 HydrophobicContact CB-CG1 4.2Å; L609-I618 PolarHBondContact N-O 2.96Å; L609-I618 VanDerWaalsContact N-O 3.13Å; L609-I618 PolarHBondContact O-N 3.07Å; L609-L620 HydrophobicContact CB-CB 4.35Å; L609-L620 HydrophobicContact CB-CD2 3.82Å; L609-L620 HydrophobicContact CD2-CD2 4.14Å; L609-V694 HydrophobicContact CD1-CG2 3.77Å; L609-L775 HydrophobicContact CD2-CD1 3.91Å; L609-L834 HydrophobicContact CD2-CB 3.81Å; L609-L834 HydrophobicContact CG-CB 4.18Å; L609-L834 HydrophobicContact CG-CD2 4.24Å
610	S	98.6	Very high	96.5	Very high	10 Å²	10	51 Å²	51	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	174.7	-54.4	0	0	0	0	111.2	L595 Q596 Q616 T617	L595-S610 VanDerWaalsContact CA-O 3.28Å; L595-S610 WeakPolarHBondContact CA-O 3.4Å; Q596-S610 PolarHBondContact N-O 3.15Å; Q596-S610 PolarHBondContact O-N 3.03Å; S610-Q616 CarbonylContact C-O 3.54Å; S610-Q616 WeakPolarHBondContact CA-O 3.29Å; S610-T617 WeakPolarHBondContact CB-OG1 3.48Å; S610-T617 WeakPolarHBondContact OG-CB 3.39Å; S610-T617 VanDerWaalsContact OG-CG2 3.27Å; S610-T617 WeakPolarHBondContact OG-CG2 3.41Å; S610-T617 PolarHBondContact OG-OG1 3.41Å
611	N	98.3	Very high	96.6	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.4	165	-177.7	-29.2	0	0	0	108.3	L595 E613 T614 K615 Q616 L834 E835	L595-N611 HydrophobicContact CD2-CB 4.07Å; N611-E613 PolarHBondContact OD1-N 2.94Å; N611-T614 VanDerWaalsContact CB-OG1 3.31Å; N611-T614 WeakPolarHBondContact CB-OG1 3.22Å; N611-T614 PolarHBondContact ND2-OG1 3.35Å; N611-T614 PolarHBondContact OD1-N 3.26Å; N611-T614 VanDerWaalsContact OD1-N 3.11Å; N611-T614 PolarHBondContact OD1-OG1 3.49Å; N611-K615 VanDerWaalsContact O-CA 3.23Å; N611-K615 WeakPolarHBondContact O-CA 3.42Å; N611-K615 PolarHBondContact O-N 3.34Å; N611-Q616 PolarHBondContact N-O 3.27Å; N611-Q616 PolarHBondContact O-N 3.48Å; N611-L834 HydrophobicContact CB-CD2 4.46Å; N611-L834 PolarHBondContact ND2-O 2.97Å; N611-E835 PolarHBondContact ND2-OE1 2.84Å
612	L	97.8	Very high	97	Very high	63 Å²	63	45.7 Å²	45.7	33%	0.33	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-23	-173.6	-57	178.9	0	0	0	112.5	Q591 F594 Q596	Q591-L612 HydrophobicContact CG-CD1 3.83Å; F594-L612 WeakPolarHBondContact O-CB 3.47Å; F594-L612 PolarHBondContact O-N 2.81Å; Q596-L612 HydrophobicContact CB-CD2 4.12Å
613	E	96.4	Very high	97.3	Very high	99 Å²	99	40 Å²	40	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-47.5	176	-68.1	-173.3	124.2	0	0	110.9	F594 N611 K615 K692	F594-E613 HydrophobicContact CD1-CG 3.96Å; F594-E613 VanDerWaalsContact CD1-OE2 3.3Å; F594-E613 WeakPolarHBondContact CD1-OE2 3.21Å; F594-E613 WeakPolarHBondContact CE1-OE1 3.31Å; N611-E613 PolarHBondContact OD1-N 2.94Å; E613-K615 VanDerWaalsContact C-N 3.35Å; E613-K692 IonicContact OE1-NZ 3.11Å; E613-K692 WeakPolarHBondContact OE2-CE 3.49Å; E613-K692 IonicContact OE2-NZ 2.77Å; E613-K692 PolarHBondContact OE2-NZ 3.46Å
614	T	96.4	Very high	97.5	Very high	51 Å²	51	38.4 Å²	38.4	31%	0.313	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.1	-178.2	67.7	0	0	0	0	112.9	N611 Q616 P836	N611-T614 VanDerWaalsContact CB-OG1 3.31Å; N611-T614 WeakPolarHBondContact CB-OG1 3.22Å; N611-T614 PolarHBondContact ND2-OG1 3.35Å; N611-T614 PolarHBondContact OD1-N 3.26Å; N611-T614 VanDerWaalsContact OD1-N 3.11Å; N611-T614 PolarHBondContact OD1-OG1 3.49Å; T614-Q616 PolarHBondContact O-N 3.22Å; T614-Q616 WeakPolarHBondContact OG1-CG 3.28Å; T614-Q616 PolarHBondContact OG1-OE1 3.12Å; T614-P836 HydrophobicContact CG2-CG 4.17Å
615	K	96.7	Very high	97.7	Very high	184 Å²	184	39.6 Å²	39.6	80%	0.8	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	28.2	-176.9	-52.3	179.1	-178.4	177.6	0	113.4	N611 E613	N611-K615 VanDerWaalsContact O-CA 3.23Å; N611-K615 WeakPolarHBondContact O-CA 3.42Å; N611-K615 PolarHBondContact O-N 3.34Å; E613-K615 VanDerWaalsContact C-N 3.35Å
616	Q	97	Very high	97.8	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.3	172.9	-68.9	171.4	-76.1	0	0	110.5	S610 N611 T614 T772 D773 L834 E835 P836	S610-Q616 CarbonylContact C-O 3.54Å; S610-Q616 WeakPolarHBondContact CA-O 3.29Å; N611-Q616 PolarHBondContact N-O 3.27Å; N611-Q616 PolarHBondContact O-N 3.48Å; T614-Q616 PolarHBondContact O-N 3.22Å; T614-Q616 WeakPolarHBondContact OG1-CG 3.28Å; T614-Q616 PolarHBondContact OG1-OE1 3.12Å; Q616-T772 PolarHBondContact NE2-O 3.1Å; Q616-D773 WeakPolarHBondContact CG-OD1 3.22Å; Q616-D773 PolarHBondContact NE2-OD1 3.29Å; Q616-L834 HydrophobicContact CB-CD2 3.99Å; Q616-L834 HydrophobicContact CB-CG 4.28Å; Q616-E835 PolarHBondContact NE2-O 2.8Å; Q616-E835 VanDerWaalsContact OE1-C 3.25Å; Q616-P836 VanDerWaalsContact OE1-N 3.15Å
617	T	98.1	Very high	97.9	Very high	97 Å²	97	40.7 Å²	40.7	60%	0.595	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.2	174.2	-64.6	0	0	0	0	109	S610	S610-T617 WeakPolarHBondContact CB-OG1 3.48Å; S610-T617 WeakPolarHBondContact OG-CB 3.39Å; S610-T617 VanDerWaalsContact OG-CG2 3.27Å; S610-T617 WeakPolarHBondContact OG-CG2 3.41Å; S610-T617 PolarHBondContact OG-OG1 3.41Å
618	I	98.5	Very high	98	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.7	173.7	64.6	168.5	0	0	0	110.6	G608 L609 L620 T719 I721 D773 L775 L834	G608-I618 WeakPolarHBondContact CA-O 3.47Å; L609-I618 HydrophobicContact CB-CG1 4.2Å; L609-I618 PolarHBondContact N-O 2.96Å; L609-I618 VanDerWaalsContact N-O 3.13Å; L609-I618 PolarHBondContact O-N 3.07Å; I618-L620 HydrophobicContact CD1-CB 4.39Å; I618-L620 HydrophobicContact CG1-CB 4.42Å; I618-T719 HydrophobicContact CD1-CG2 4.32Å; I618-I721 HydrophobicContact CD1-CD1 4.18Å; I618-I721 HydrophobicContact CG2-CG1 4.22Å; I618-D773 HydrophobicContact CG2-CB 4.01Å; I618-L775 HydrophobicContact CD1-CB 4.42Å; I618-L775 HydrophobicContact CD1-CD1 4.42Å; I618-L775 HydrophobicContact CD1-CD2 4.42Å; I618-L834 HydrophobicContact CD1-CD1 4.05Å; I618-L834 HydrophobicContact CG1-CD1 4.34Å; I618-L834 HydrophobicContact CG1-CD2 4.06Å; I618-L834 HydrophobicContact CG2-CD1 3.99Å; I618-L834 HydrophobicContact CG2-CD2 4.28Å
619	K	98.3	Very high	97.9	Very high	160 Å²	160	40.4 Å²	40.4	70%	0.696	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.1	158.4	-64.9	-174.3	178.5	-176.4	0	107.5	T719 S720	K619-T719 WeakPolarHBondContact O-CA 3.47Å; K619-S720 PolarHBondContact N-OG 3.29Å; K619-S720 PolarHBondContact O-N 2.63Å
620	L	98.1	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	111	179	173.3	63.3	0	0	0	108.9	L606 S607 G608 L609 I618 L717 D718 T719 L775 L832	L606-L620 CarbonylContact C-O 3.48Å; L606-L620 HydrophobicContact CD2-CD2 4.09Å; S607-L620 CarbonylContact C-O 3.38Å; S607-L620 WeakPolarHBondContact CA-O 3.14Å; S607-L620 PolarHBondContact N-O 2.88Å; S607-L620 PolarHBondContact O-N 3.38Å; S607-L620 VanDerWaalsContact O-N 3.15Å; G608-L620 PolarHBondContact N-O 2.84Å; L609-L620 HydrophobicContact CB-CB 4.35Å; L609-L620 HydrophobicContact CB-CD2 3.82Å; L609-L620 HydrophobicContact CD2-CD2 4.14Å; I618-L620 HydrophobicContact CD1-CB 4.39Å; I618-L620 HydrophobicContact CG1-CB 4.42Å; L620-L717 HydrophobicContact CD1-CB 4.1Å; L620-L717 HydrophobicContact CD1-CD2 4.27Å; L620-D718 CarbonylContact C-O 3.47Å; L620-D718 WeakPolarHBondContact CA-O 3.5Å; L620-T719 HydrophobicContact CD1-CG2 3.8Å; L620-L775 HydrophobicContact CD1-CD2 3.97Å; L620-L832 HydrophobicContact CD2-CD1 4.13Å
621	S	97.5	Very high	97.5	Very high	44 Å²	44	43.3 Å²	43.3	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.1	168	172.9	0	0	0	0	109.4	L606 L717 D718	L606-S621 WeakPolarHBondContact O-CA 3.03Å; S621-L717 CarbonylContact O-C 3.41Å; S621-L717 WeakPolarHBondContact O-CA 3.36Å; S621-D718 PolarHBondContact N-O 3.38Å; S621-D718 PolarHBondContact O-N 2.62Å
622	Q	98.1	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.4	171.2	-176	-82.5	-27	0	0	109.5	L606 L696 T715 R716 L717	L606-Q622 HydrophobicContact CB-CB 4.32Å; Q622-L696 HydrophobicContact CG-CD1 4.06Å; Q622-T715 PolarHBondContact NE2-OG1 2.62Å; Q622-R716 WeakPolarHBondContact CA-O 3.36Å; Q622-L717 HydrophobicContact CB-CD2 3.73Å; Q622-L717 HydrophobicContact CG-CD2 3.48Å; Q622-L717 VanDerWaalsContact CG-CD2 3.48Å
623	N	98.4	Very high	95.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	169.5	173	-157.3	-6.7	0	0	0	111.4	L605 Y625 S657 F677 T715 R716	L605-N623 HydrophobicContact CD1-CB 4.44Å; N623-Y625 HydrophobicContact CB-CE2 3.78Å; N623-S657 PolarHBondContact ND2-O 2.96Å; N623-S657 PolarHBondContact OD1-O 3.19Å; N623-F677 WeakPolarHBondContact OD1-CE1 3.24Å; N623-T715 WeakPolarHBondContact O-CA 3.5Å; N623-T715 PolarHBondContact O-OG1 3.08Å; N623-R716 PolarHBondContact N-O 3.1Å; N623-R716 VanDerWaalsContact N-O 3.14Å; N623-R716 PolarHBondContact O-N 2.9Å
624	F	98.8	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.2	176.6	-64.9	-89.6	0	0	0	111.3	V656 F677 V681 Q683 W698 I714 L797	F624-V656 HydrophobicContact CB-CB 3.9Å; F624-V656 HydrophobicContact CB-CG2 3.68Å; F624-V656 WeakPolarHBondContact O-CB 3.32Å; F624-V656 WeakPolarHBondContact O-CG2 2.99Å; F624-V656 PolarHBondContact O-N 2.78Å; F624-F677 HydrophobicContact CD2-CD1 4.19Å; F624-F677 AromaticContact CD2-CD2 3.85Å; F624-F677 HydrophobicContact CD2-CD2 3.85Å; F624-F677 AromaticContact CD2-CE1 3.95Å; F624-F677 HydrophobicContact CD2-CE1 3.95Å; F624-F677 AromaticContact CD2-CE2 3.62Å; F624-F677 HydrophobicContact CD2-CE2 3.62Å; F624-F677 HydrophobicContact CD2-CG 4.15Å; F624-F677 AromaticContact CD2-CZ 3.68Å; F624-F677 HydrophobicContact CD2-CZ 3.68Å; F624-F677 AromaticContact CE2-CD2 3.97Å; F624-F677 HydrophobicContact CE2-CD2 3.97Å; F624-F677 HydrophobicContact CE2-CE1 4.49Å; F624-F677 AromaticContact CE2-CE2 3.46Å; F624-F677 HydrophobicContact CE2-CE2 3.46Å; F624-F677 VanDerWaalsContact CE2-CE2 3.46Å; F624-F677 AromaticContact CE2-CZ 3.77Å; F624-F677 HydrophobicContact CE2-CZ 3.77Å; F624-V681 HydrophobicContact CB-CG1 4.09Å; F624-V681 HydrophobicContact CD1-CG1 3.91Å; F624-V681 HydrophobicContact CD2-CG1 3.8Å; F624-V681 HydrophobicContact CE1-CG1 4.26Å; F624-V681 HydrophobicContact CE2-CG1 4.18Å; F624-V681 HydrophobicContact CG-CG1 3.65Å; F624-V681 HydrophobicContact CZ-CG1 4.39Å; F624-Q683 HydrophobicContact CE2-CB 3.86Å; F624-Q683 HydrophobicContact CE2-CG 4.48Å; F624-Q683 HydrophobicContact CZ-CB 3.93Å; F624-Q683 HydrophobicContact CZ-CG 4.32Å; F624-Q683 VanDerWaalsContact CZ-OE1 3.22Å; F624-W698 HydrophobicContact CE1-CB 4.12Å; F624-W698 HydrophobicContact CZ-CB 4.09Å; F624-I714 WeakPolarHBondContact CA-O 3.34Å; F624-L797 HydrophobicContact CD1-CD1 4.03Å; F624-L797 HydrophobicContact CE1-CD1 3.54Å
625	Y	98.8	Very high	94.2	Very high	27 Å²	27	49.4 Å²	49.4	11%	0.106	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	172	176.3	-54.5	-102.6	0	0	0	109.4	N623 P653 V654 M655 V713 I714 R716	N623-Y625 HydrophobicContact CB-CE2 3.78Å; Y625-P653 HydrophobicContact CD1-CG 4.18Å; Y625-P653 HydrophobicContact CG-CG 4.28Å; Y625-V654 CarbonylContact C-O 3.53Å; Y625-V654 WeakPolarHBondContact CA-O 3.5Å; Y625-V654 WeakPolarHBondContact CB-O 3.41Å; Y625-M655 HydrophobicContact CD1-CB 3.86Å; Y625-M655 HydrophobicContact CD1-CG 4.26Å; Y625-M655 HydrophobicContact CE1-CB 3.81Å; Y625-M655 HydrophobicContact CE1-CE 3.85Å; Y625-M655 HydrophobicContact CE1-CG 3.91Å; Y625-V713 CarbonylContact O-C 3.45Å; Y625-V713 WeakPolarHBondContact O-CA 3.37Å; Y625-I714 PolarHBondContact N-O 3.25Å; Y625-I714 PolarHBondContact O-N 3.07Å; Y625-I714 VanDerWaalsContact O-O 3.13Å; Y625-R716 HydrophobicContact CD2-CB 3.93Å; Y625-R716 HydrophobicContact CE2-CB 3.86Å
626	W	98.8	Very high	93.5	Very high	39 Å²	39	47.6 Å²	47.6	15%	0.148	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.6	164.5	75.6	92.7	0	0	0	111.5	N628 P653 V654 M655 V656 W680 K711 E712 V713	W626-N628 VanDerWaalsContact CD1-OD1 3.3Å; W626-N628 PolarHBondContact NE1-OD1 3.45Å; W626-P653 CarbonylContact O-C 3.52Å; W626-P653 WeakPolarHBondContact O-CA 3.47Å; W626-P653 WeakPolarHBondContact O-CB 3.2Å; W626-V654 HydrophobicContact CD2-CB 3.9Å; W626-V654 HydrophobicContact CD2-CG1 4.45Å; W626-V654 HydrophobicContact CE3-CB 4.03Å; W626-V654 HydrophobicContact CE3-CG1 4.27Å; W626-V654 VanDerWaalsContact CE3-O 3.24Å; W626-V654 HydrophobicContact CH2-CB 3.81Å; W626-V654 HydrophobicContact CH2-CG1 3.26Å; W626-V654 HydrophobicContact CZ2-CB 3.64Å; W626-V654 HydrophobicContact CZ2-CG1 3.43Å; W626-V654 VanDerWaalsContact CZ2-CG1 3.43Å; W626-V654 HydrophobicContact CZ2-CG2 4.26Å; W626-V654 HydrophobicContact CZ3-CB 3.96Å; W626-V654 HydrophobicContact CZ3-CG1 3.68Å; W626-V654 PolarHBondContact N-O 3.31Å; W626-V654 PolarHBondContact O-N 2.96Å; W626-M655 WeakPolarHBondContact CZ3-O 3.32Å; W626-V656 HydrophobicContact CE3-CG2 3.73Å; W626-V656 HydrophobicContact CZ3-CG2 4.11Å; W626-W680 HydrophobicContact CE3-CH2 4.49Å; W626-K711 HydrophobicContact CB-CB 4.41Å; W626-K711 HydrophobicContact CD2-CD 4.42Å; W626-K711 HydrophobicContact CG-CB 4.18Å; W626-K711 HydrophobicContact CG-CD 4.25Å; W626-K711 HydrophobicContact CG-CG 4.28Å; W626-E712 CarbonylContact C-O 3.57Å; W626-E712 WeakPolarHBondContact CA-O 3.39Å; W626-E712 WeakPolarHBondContact CB-O 3.36Å; W626-V713 HydrophobicContact CB-CG2 4.36Å
627	Y	98.7	Very high	93.1	Very high	2 Å²	2	48 Å²	48	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.9	164.6	-69.4	-79.6	0	0	0	109.5	G629 F646 P648 S650 P653 K711 E712 I714 R716 I755 E794	Y627-G629 PolarHBondContact O-N 2.89Å; Y627-F646 HydrophobicContact CD2-CE2 4.36Å; Y627-F646 AromaticContact CD2-CZ 3.75Å; Y627-F646 HydrophobicContact CD2-CZ 3.75Å; Y627-F646 HydrophobicContact CE2-CZ 4.25Å; Y627-F646 HydrophobicContact CG-CE2 4.29Å; Y627-F646 AromaticContact CG-CZ 4Å; Y627-F646 HydrophobicContact CG-CZ 4Å; Y627-P648 HydrophobicContact CD1-CB 3.68Å; Y627-P648 HydrophobicContact CD1-CG 4.43Å; Y627-P648 HydrophobicContact CG-CB 3.95Å; Y627-S650 WeakPolarHBondContact CD1-O 3.12Å; Y627-P653 HydrophobicContact CD1-CB 3.84Å; Y627-P653 HydrophobicContact CD2-CB 4.21Å; Y627-P653 HydrophobicContact CE1-CB 3.61Å; Y627-P653 HydrophobicContact CE1-CG 4.05Å; Y627-P653 HydrophobicContact CE2-CB 4Å; Y627-P653 HydrophobicContact CE2-CG 4.44Å; Y627-P653 HydrophobicContact CG-CB 4.13Å; Y627-K711 WeakPolarHBondContact O-CA 3.29Å; Y627-E712 PolarHBondContact N-O 3.24Å; Y627-E712 PolarHBondContact O-N 3.46Å; Y627-I714 HydrophobicContact CD2-CD1 4.37Å; Y627-I714 HydrophobicContact CD2-CG2 4.17Å; Y627-I714 HydrophobicContact CE2-CD1 3.74Å; Y627-I714 HydrophobicContact CE2-CG2 4.28Å; Y627-R716 PolarHBondContact OH-NH2 2.72Å; Y627-I755 HydrophobicContact CE1-CG1 4.2Å; Y627-I755 HydrophobicContact CE1-CG2 4.13Å; Y627-I755 HydrophobicContact CE2-CG2 4.06Å; Y627-E794 PolarHBondContact OH-OE1 2.85Å
628	N	97.8	Very high	92.9	Very high	35 Å²	35	49.7 Å²	49.7	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.1	168.8	-71.9	-15.1	0	0	0	108.4	W626 P648 N649 Q709 G710	W626-N628 VanDerWaalsContact CD1-OD1 3.3Å; W626-N628 PolarHBondContact NE1-OD1 3.45Å; N628-P648 WeakPolarHBondContact O-CA 3.46Å; N628-N649 HydrophobicContact CB-CB 4.36Å; N628-N649 PolarHBondContact O-N 2.92Å; N628-Q709 PolarHBondContact ND2-OE1 2.81Å; N628-G710 WeakPolarHBondContact CA-O 3.48Å
629	G	96.7	Very high	92.8	Very high	9 Å²	9	50.2 Å²	50.2	9%	0.093	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-65.6	134.4	175.4	0	0	0	0	0	110.5	Y627 N649 G710	Y627-G629 PolarHBondContact O-N 2.89Å; G629-N649 PolarHBondContact O-ND2 3.48Å; G629-G710 PolarHBondContact N-O 2.62Å
630	S	95.9	Very high	92.8	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.021	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-67.7	138.2	180	-167.9	0	0	0	0	112.3	G632 T640 S641 R647 N649	S630-G632 VanDerWaalsContact C-N 3.33Å; S630-G632 PolarHBondContact OG-N 2.85Å; S630-T640 CarbonylContact O-C 3.47Å; S630-T640 VanDerWaalsContact O-CA 3.31Å; S630-T640 WeakPolarHBondContact O-CA 3.08Å; S630-S641 PolarHBondContact O-N 3.16Å; S630-R647 WeakPolarHBondContact CB-O 3.49Å; S630-R647 PolarHBondContact N-O 3.18Å; S630-N649 WeakPolarHBondContact CA-OD1 3.35Å; S630-N649 VanDerWaalsContact CB-OD1 3.23Å; S630-N649 WeakPolarHBondContact CB-OD1 3.17Å; S630-N649 PolarHBondContact OG-OD1 3.25Å
631	N	92.9	Very high	92.8	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-93.1	11.4	173.9	68.7	-9.4	0	0	0	112.8	N633 T640 H803	N631-N633 VanDerWaalsContact C-N 3.3Å; N631-N633 PolarHBondContact ND2-ND2 3.48Å; N631-N633 PolarHBondContact O-N 3.01Å; N631-N633 PolarHBondContact O-ND2 3.5Å; N631-N633 PolarHBondContact OD1-N 2.04Å; N631-T640 WeakPolarHBondContact O-CG2 3.46Å; N631-H803 WeakPolarHBondContact CB-NE2 3.01Å
632	G	85.6	Confident	92.9	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	69.1	22.1	174	0	0	0	0	0	114.8	S630 L638 Q639	S630-G632 VanDerWaalsContact C-N 3.33Å; S630-G632 PolarHBondContact OG-N 2.85Å; G632-L638 VanDerWaalsContact CA-O 3.26Å; G632-L638 WeakPolarHBondContact CA-O 3.22Å; G632-L638 CarbonylContact O-C 3.58Å; G632-L638 WeakPolarHBondContact O-CA 3.47Å; G632-L638 WeakPolarHBondContact O-CD2 3.39Å; G632-Q639 WeakPolarHBondContact CA-O 3.5Å
633	N	75.8	Confident	92.9	Very high	122 Å²	122	40.9 Å²	40.9	65%	0.652	22%	0.219	S	C	*	.			trans	-115.9	44.8	-175.5	-66.9	-39.9	0	0	0	112.3	N631	N631-N633 VanDerWaalsContact C-N 3.3Å; N631-N633 PolarHBondContact ND2-ND2 3.48Å; N631-N633 PolarHBondContact O-N 3.01Å; N631-N633 PolarHBondContact O-ND2 3.5Å; N631-N633 PolarHBondContact OD1-N 2.04Å
634	N	78.6	Confident	92.9	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-117.5	158.8	173.5	70.7	23.4	0	0	0	112.2	E636 S637 R647	N634-E636 PolarHBondContact O-N 3.35Å; N634-E636 VanDerWaalsContact O-N 3.11Å; N634-E636 PolarHBondContact OD1-N 3.06Å; N634-S637 PolarHBondContact O-N 3.25Å; N634-S637 PolarHBondContact OD1-N 3.3Å; N634-S637 PolarHBondContact OD1-O 3.39Å; N634-R647 VanDerWaalsContact CG-NH2 3.31Å; N634-R647 PolarHBondContact ND2-NH2 3.44Å; N634-R647 PolarHBondContact OD1-NH2 3.36Å
635	V	80.4	Confident	92.9	Very high	158 Å²	158	40.9 Å²	40.9	96%	0.958	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	-176.1	-177.8	0	0	0	0	112
636	E	80.6	Confident	92.9	Very high	145 Å²	145	39.6 Å²	39.6	68%	0.678	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-34.3	-174.2	-61.8	-176.7	169.3	0	0	113.5	H369 N634	H369-E636 IonicContact CE1-OE2 2.82Å; N634-E636 PolarHBondContact O-N 3.35Å; N634-E636 VanDerWaalsContact O-N 3.11Å; N634-E636 PolarHBondContact OD1-N 3.06Å
637	S	89.9	Confident	92.8	Very high	25 Å²	25	37.9 Å²	37.9	18%	0.175	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-166.2	145.5	177	170.6	0	0	0	0	113.2	H369 N634 Q639 R647	H369-S637 VanDerWaalsContact CD2-CB 3.48Å; H369-S637 WeakPolarHBondContact CD2-CB 3.37Å; N634-S637 PolarHBondContact O-N 3.25Å; N634-S637 PolarHBondContact OD1-N 3.3Å; N634-S637 PolarHBondContact OD1-O 3.39Å; S637-Q639 PolarHBondContact O-N 3.2Å; S637-Q639 VanDerWaalsContact OG-CB 3.28Å; S637-Q639 WeakPolarHBondContact OG-CB 3.41Å; S637-Q639 PolarHBondContact OG-N 2.95Å; S637-R647 PolarHBondContact O-NH1 3.36Å
638	L	93.4	Very high	92.8	Very high	134 Å²	134	38.4 Å²	38.4	70%	0.702	21%	0.21	S	C	*	.			trans	-79.2	-0.8	172.8	-60.8	178.8	0	0	0	114.5	G632 T640	G632-L638 VanDerWaalsContact CA-O 3.26Å; G632-L638 WeakPolarHBondContact CA-O 3.22Å; G632-L638 CarbonylContact O-C 3.58Å; G632-L638 WeakPolarHBondContact O-CA 3.47Å; G632-L638 WeakPolarHBondContact O-CD2 3.39Å; L638-T640 PolarHBondContact O-N 2.77Å
639	Q	96.9	Very high	92.6	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.065	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.7	123.1	-176.6	-177.6	62.6	70.4	0	0	111.8	H369 S370 G632 S637 I645 R647 D805 R807	H369-Q639 HydrophobicContact CB-CB 4.45Å; H369-Q639 VanDerWaalsContact O-CG 3.3Å; H369-Q639 WeakPolarHBondContact O-CG 3.3Å; S370-Q639 WeakPolarHBondContact OG-CG 3.48Å; S370-Q639 PolarHBondContact OG-OE1 3.4Å; G632-Q639 WeakPolarHBondContact CA-O 3.5Å; S637-Q639 PolarHBondContact O-N 3.2Å; S637-Q639 VanDerWaalsContact OG-CB 3.28Å; S637-Q639 WeakPolarHBondContact OG-CB 3.41Å; S637-Q639 PolarHBondContact OG-N 2.95Å; Q639-I645 HydrophobicContact CG-CD1 4.13Å; Q639-I645 HydrophobicContact CG-CG2 4.1Å; Q639-R647 WeakPolarHBondContact O-CD 3.42Å; Q639-R647 PolarHBondContact O-NH1 3.45Å; Q639-D805 PolarHBondContact NE2-O 2.92Å; Q639-R807 VanDerWaalsContact OE1-NH2 3.12Å
640	T	97.3	Very high	92.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-85.8	160	170.4	42.9	0	0	0	0	111.1	S630 N631 L638 H803 D804 D805 Y806	S630-T640 CarbonylContact O-C 3.47Å; S630-T640 VanDerWaalsContact O-CA 3.31Å; S630-T640 WeakPolarHBondContact O-CA 3.08Å; N631-T640 WeakPolarHBondContact O-CG2 3.46Å; L638-T640 PolarHBondContact O-N 2.77Å; T640-H803 HydrophobicContact CG2-CB 3.72Å; T640-D804 PolarHBondContact OG1-O 3.34Å; T640-D805 WeakPolarHBondContact OG1-CA 3.36Å; T640-Y806 HydrophobicContact CG2-CE2 4.19Å
641	S	98.3	Very high	92.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-80.1	137.3	161.9	-158.7	0	0	0	0	108.8	S630 I645 R647 E712 R799	S630-S641 PolarHBondContact O-N 3.16Å; S641-I645 PolarHBondContact OG-O 2.94Å; S641-I645 VanDerWaalsContact OG-O 3.08Å; S641-R647 PolarHBondContact OG-N 3.05Å; S641-E712 WeakPolarHBondContact CB-OE1 3.39Å; S641-E712 PolarHBondContact OG-OE1 3.33Å; S641-R799 PolarHBondContact OG-NH2 3.19Å
642	G	98.4	Very high	92.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.			trans	-153.4	-155.7	-176.6	0	0	0	0	0	112.8	Y644 I645 R799 L801 D805	G642-Y644 VanDerWaalsContact C-N 3.31Å; G642-Y644 PolarHBondContact O-N 2.98Å; G642-I645 PolarHBondContact N-O 3.07Å; G642-R799 PolarHBondContact O-NH1 3.03Å; G642-R799 PolarHBondContact O-NH2 3.13Å; G642-L801 VanDerWaalsContact CA-CD1 3.49Å; G642-L801 WeakPolarHBondContact O-CD1 3.3Å; G642-D805 VanDerWaalsContact CA-OD2 3.25Å; G642-D805 WeakPolarHBondContact CA-OD2 3.49Å
643	A	98.6	Very high	93.1	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	27%	0.274	C	S	.	.	S	Bend	trans	-62.1	-37.6	-176.4	0	0	0	0	0	112.6	Y375 S378 T436 D805 V809	Y375-A643 WeakPolarHBondContact CA-O 3.45Å; Y375-A643 PolarHBondContact N-O 3.13Å; S378-A643 WeakPolarHBondContact CB-O 3.5Å; S378-A643 PolarHBondContact OG-O 3Å; T436-A643 HydrophobicContact CG2-CB 4.46Å; A643-D805 PolarHBondContact N-OD2 2.93Å; A643-D805 VanDerWaalsContact N-OD2 3.1Å; A643-V809 HydrophobicContact CB-CG1 4.48Å
644	Y	98.9	Very high	94.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.016	26%	0.261	C	S	.	.	S	Bend	trans	-89.9	-52.8	179.9	-56.9	-97.6	0	0	0	111.4	W61 F182 W372 G374 Y375 D431 T436 G642 D805 R807 V809	W61-Y644 PolarHBondContact NE1-OH 2.85Å; F182-Y644 HydrophobicContact CD2-CD1 4.1Å; F182-Y644 HydrophobicContact CD2-CE1 4.4Å; F182-Y644 HydrophobicContact CE1-CD1 4.47Å; F182-Y644 HydrophobicContact CE1-CE1 4.1Å; F182-Y644 AromaticContact CE2-CD1 3.8Å; F182-Y644 HydrophobicContact CE2-CD1 3.8Å; F182-Y644 AromaticContact CE2-CE1 3.67Å; F182-Y644 HydrophobicContact CE2-CE1 3.67Å; F182-Y644 HydrophobicContact CZ-CD1 4.03Å; F182-Y644 AromaticContact CZ-CE1 3.51Å; F182-Y644 HydrophobicContact CZ-CE1 3.51Å; W372-Y644 CarbonylContact C-O 3.54Å; W372-Y644 AromaticContact CE3-CD1 3.51Å; W372-Y644 HydrophobicContact CE3-CD1 3.51Å; W372-Y644 HydrophobicContact CE3-CE1 4.44Å; W372-Y644 AromaticContact CE3-CG 3.99Å; W372-Y644 HydrophobicContact CE3-CG 3.99Å; W372-Y644 HydrophobicContact CH2-CD1 4.29Å; W372-Y644 AromaticContact CZ3-CD1 3.31Å; W372-Y644 HydrophobicContact CZ3-CD1 3.31Å; W372-Y644 AromaticContact CZ3-CE1 3.85Å; W372-Y644 HydrophobicContact CZ3-CE1 3.85Å; W372-Y644 AromaticContact CZ3-CG 3.96Å; W372-Y644 HydrophobicContact CZ3-CG 3.96Å; G374-Y644 WeakPolarHBondContact CA-O 3.1Å; G374-Y644 PolarHBondContact N-O 3.37Å; Y375-Y644 PolarHBondContact N-O 3.27Å; Y375-Y644 VanDerWaalsContact N-O 3.13Å; D431-Y644 PolarHBondContact OD1-OH 2.03Å; T436-Y644 HydrophobicContact CG2-CD1 3.4Å; T436-Y644 HydrophobicContact CG2-CD2 4.23Å; T436-Y644 HydrophobicContact CG2-CE1 3.5Å; T436-Y644 VanDerWaalsContact CG2-CE1 3.5Å; T436-Y644 HydrophobicContact CG2-CE2 4.29Å; T436-Y644 HydrophobicContact CG2-CG 3.81Å; T436-Y644 PolarHBondContact O-OH 2.94Å; G642-Y644 VanDerWaalsContact C-N 3.31Å; G642-Y644 PolarHBondContact O-N 2.98Å; Y644-D805 WeakPolarHBondContact CA-OD2 3.03Å; Y644-D805 WeakPolarHBondContact CB-OD2 3.37Å; Y644-D805 WeakPolarHBondContact CD2-OD1 3.39Å; Y644-D805 PolarHBondContact N-OD2 2.93Å; Y644-R807 HydrophobicContact CD2-CB 3.75Å; Y644-R807 HydrophobicContact CD2-CG 4.44Å; Y644-R807 HydrophobicContact CE2-CB 3.89Å; Y644-R807 HydrophobicContact CG-CB 4.19Å; Y644-V809 HydrophobicContact CE2-CB 4.05Å; Y644-V809 HydrophobicContact CE2-CG1 3.88Å
645	I	98.8	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.			trans	-91.1	135.1	-165.6	-70.3	169.3	0	0	0	110.8	F371 W372 Q639 S641 G642 R647 R799 D805 R807	F371-I645 WeakPolarHBondContact O-CA 3.3Å; W372-I645 HydrophobicContact CG-CG1 4.3Å; Q639-I645 HydrophobicContact CG-CD1 4.13Å; Q639-I645 HydrophobicContact CG-CG2 4.1Å; S641-I645 PolarHBondContact OG-O 2.94Å; S641-I645 VanDerWaalsContact OG-O 3.08Å; G642-I645 PolarHBondContact N-O 3.07Å; I645-R647 HydrophobicContact CG2-CB 4.12Å; I645-R799 PolarHBondContact O-NH2 3.24Å; I645-D805 HydrophobicContact CB-CB 4.14Å; I645-D805 HydrophobicContact CD1-CB 4.32Å; I645-D805 PolarHBondContact N-OD2 2.98Å; I645-R807 HydrophobicContact CD1-CG 4.21Å
646	F	98.8	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.			trans	-103.5	113.4	164.4	172.1	-151.2	0	0	0	108.2	F371 Y627 P648 E712 I755 A756 Y759 M796	F371-F646 PolarHBondContact O-N 3.09Å; F371-F646 VanDerWaalsContact O-N 3.09Å; Y627-F646 HydrophobicContact CD2-CE2 4.36Å; Y627-F646 AromaticContact CD2-CZ 3.75Å; Y627-F646 HydrophobicContact CD2-CZ 3.75Å; Y627-F646 HydrophobicContact CE2-CZ 4.25Å; Y627-F646 HydrophobicContact CG-CE2 4.29Å; Y627-F646 AromaticContact CG-CZ 4Å; Y627-F646 HydrophobicContact CG-CZ 4Å; F646-P648 HydrophobicContact CD2-CG 4.48Å; F646-P648 HydrophobicContact CE2-CB 3.7Å; F646-P648 HydrophobicContact CE2-CG 3.8Å; F646-P648 HydrophobicContact CZ-CB 4.05Å; F646-P648 HydrophobicContact CZ-CG 3.86Å; F646-E712 VanDerWaalsContact CD2-CD 3.41Å; F646-E712 WeakPolarHBondContact CD2-OE1 3.2Å; F646-E712 WeakPolarHBondContact CD2-OE2 3.39Å; F646-E712 WeakPolarHBondContact CE2-OE2 3.12Å; F646-I755 HydrophobicContact CE1-CG2 3.75Å; F646-I755 HydrophobicContact CZ-CG2 3.84Å; F646-A756 HydrophobicContact CB-CB 4.33Å; F646-A756 HydrophobicContact CD1-CB 3.8Å; F646-A756 HydrophobicContact CE1-CB 4.38Å; F646-A756 HydrophobicContact CG-CB 4.11Å; F646-A756 WeakPolarHBondContact O-CB 3.29Å; F646-Y759 HydrophobicContact CD1-CD2 4.22Å; F646-Y759 HydrophobicContact CD1-CG 4.25Å; F646-Y759 HydrophobicContact CE1-CD1 4.48Å; F646-Y759 AromaticContact CE1-CD2 3.78Å; F646-Y759 HydrophobicContact CE1-CD2 3.78Å; F646-Y759 HydrophobicContact CE1-CE1 4.39Å; F646-Y759 AromaticContact CE1-CE2 3.67Å; F646-Y759 HydrophobicContact CE1-CE2 3.67Å; F646-Y759 HydrophobicContact CE1-CG 4.2Å; F646-Y759 AromaticContact CE1-CZ 3.99Å; F646-M796 HydrophobicContact CD1-CE 3.9Å; F646-M796 HydrophobicContact CD2-CE 4.13Å; F646-M796 HydrophobicContact CE1-CE 3.71Å; F646-M796 HydrophobicContact CE2-CE 3.94Å; F646-M796 HydrophobicContact CG-CE 4.11Å; F646-M796 HydrophobicContact CZ-CE 3.74Å
647	R	97.6	Very high	96.8	Very high	4 Å²	4	34 Å²	34	2%	0.015	20%	0.201	C	C	.	.			trans	-132.4	95.3	174.1	-169	-170.4	-177.7	-154.3	0.9	109.7	S630 N634 S637 Q639 S641 I645 E753	S630-R647 WeakPolarHBondContact CB-O 3.49Å; S630-R647 PolarHBondContact N-O 3.18Å; N634-R647 VanDerWaalsContact CG-NH2 3.31Å; N634-R647 PolarHBondContact ND2-NH2 3.44Å; N634-R647 PolarHBondContact OD1-NH2 3.36Å; S637-R647 PolarHBondContact O-NH1 3.36Å; Q639-R647 WeakPolarHBondContact O-CD 3.42Å; Q639-R647 PolarHBondContact O-NH1 3.45Å; S641-R647 PolarHBondContact OG-N 3.05Å; I645-R647 HydrophobicContact CG2-CB 4.12Å; R647-E753 IonicContact NE-OE1 3.22Å
648	P	96.8	Very high	97.1	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.078	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-75.6	141.9	178.5	29.9	-31.6	0	0	0	111.3	Y627 N628 F646 S650 I755	Y627-P648 HydrophobicContact CD1-CB 3.68Å; Y627-P648 HydrophobicContact CD1-CG 4.43Å; Y627-P648 HydrophobicContact CG-CB 3.95Å; N628-P648 WeakPolarHBondContact O-CA 3.46Å; F646-P648 HydrophobicContact CD2-CG 4.48Å; F646-P648 HydrophobicContact CE2-CB 3.7Å; F646-P648 HydrophobicContact CE2-CG 3.8Å; F646-P648 HydrophobicContact CZ-CB 4.05Å; F646-P648 HydrophobicContact CZ-CG 3.86Å; P648-S650 PolarHBondContact O-N 3.46Å; P648-I755 HydrophobicContact CG-CB 3.94Å; P648-I755 HydrophobicContact CG-CG1 4.35Å; P648-I755 HydrophobicContact CG-CG2 4.28Å
649	N	93.5	Very high	97.2	Very high	78 Å²	78	35.4 Å²	35.4	42%	0.417	21%	0.208	S	C	.	.	S	Bend	trans	-66.4	-18.5	175.3	-82.2	-29.2	0	0	0	114.2	N628 G629 S630	N628-N649 HydrophobicContact CB-CB 4.36Å; N628-N649 PolarHBondContact O-N 2.92Å; G629-N649 PolarHBondContact O-ND2 3.48Å; S630-N649 WeakPolarHBondContact CA-OD1 3.35Å; S630-N649 VanDerWaalsContact CB-OD1 3.23Å; S630-N649 WeakPolarHBondContact CB-OD1 3.17Å; S630-N649 PolarHBondContact OG-OD1 3.25Å
650	S	94	Very high	97.1	Very high	61 Å²	61	35.3 Å²	35.3	43%	0.427	21%	0.209	S	C	.	.			trans	-147.1	148.3	-176.8	175.6	0	0	0	0	110	Y627 P648 T652	Y627-S650 WeakPolarHBondContact CD1-O 3.12Å; P648-S650 PolarHBondContact O-N 3.46Å; S650-T652 PolarHBondContact O-N 3.22Å; S650-T652 PolarHBondContact OG-N 2.85Å; S650-T652 VanDerWaalsContact OG-N 3.09Å; S650-T652 PolarHBondContact OG-O 2.96Å
651	S	94.6	Very high	97	Very high	62 Å²	62	42.3 Å²	42.3	43%	0.434	24%	0.235	S	C	.	.	S	Bend	trans	-71.7	-19.2	171.3	-60.2	0	0	0	0	113.1	P754 I755	S651-P754 WeakPolarHBondContact OG-CG 3.35Å; S651-I755 WeakPolarHBondContact O-CD1 3.25Å
652	T	96.5	Very high	96.7	Very high	107 Å²	107	42.6 Å²	42.6	66%	0.656	24%	0.237	S	C	*	.	S	Bend	trans	-98.7	117.1	178.1	-54.6	0	0	0	0	109	S650	S650-T652 PolarHBondContact O-N 3.22Å; S650-T652 PolarHBondContact OG-N 2.85Å; S650-T652 VanDerWaalsContact OG-N 3.09Å; S650-T652 PolarHBondContact OG-O 2.96Å
653	P	97.6	Very high	96.5	Very high	14 Å²	14	44 Å²	44	9%	0.091	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-76	159.1	175.8	34.3	-36.1	0	0	0	111	Y625 W626 Y627 I714 R716	Y625-P653 HydrophobicContact CD1-CG 4.18Å; Y625-P653 HydrophobicContact CG-CG 4.28Å; W626-P653 CarbonylContact O-C 3.52Å; W626-P653 WeakPolarHBondContact O-CA 3.47Å; W626-P653 WeakPolarHBondContact O-CB 3.2Å; Y627-P653 HydrophobicContact CD1-CB 3.84Å; Y627-P653 HydrophobicContact CD2-CB 4.21Å; Y627-P653 HydrophobicContact CE1-CB 3.61Å; Y627-P653 HydrophobicContact CE1-CG 4.05Å; Y627-P653 HydrophobicContact CE2-CB 4Å; Y627-P653 HydrophobicContact CE2-CG 4.44Å; Y627-P653 HydrophobicContact CG-CB 4.13Å; P653-I714 HydrophobicContact CB-CD1 4.44Å; P653-I714 HydrophobicContact CG-CD1 4.39Å; P653-R716 VanDerWaalsContact CG-NH2 3.33Å
654	V	98.4	Very high	96.1	Very high	61 Å²	61	44 Å²	44	37%	0.37	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.8	177.5	-171	0	0	0	0	109.3	Y625 W626	Y625-V654 CarbonylContact C-O 3.53Å; Y625-V654 WeakPolarHBondContact CA-O 3.5Å; Y625-V654 WeakPolarHBondContact CB-O 3.41Å; W626-V654 HydrophobicContact CD2-CB 3.9Å; W626-V654 HydrophobicContact CD2-CG1 4.45Å; W626-V654 HydrophobicContact CE3-CB 4.03Å; W626-V654 HydrophobicContact CE3-CG1 4.27Å; W626-V654 VanDerWaalsContact CE3-O 3.24Å; W626-V654 HydrophobicContact CH2-CB 3.81Å; W626-V654 HydrophobicContact CH2-CG1 3.26Å; W626-V654 HydrophobicContact CZ2-CB 3.64Å; W626-V654 HydrophobicContact CZ2-CG1 3.43Å; W626-V654 VanDerWaalsContact CZ2-CG1 3.43Å; W626-V654 HydrophobicContact CZ2-CG2 4.26Å; W626-V654 HydrophobicContact CZ3-CB 3.96Å; W626-V654 HydrophobicContact CZ3-CG1 3.68Å; W626-V654 PolarHBondContact N-O 3.31Å; W626-V654 PolarHBondContact O-N 2.96Å
655	M	98.3	Very high	95.7	Very high	82 Å²	82	44.2 Å²	44.2	40%	0.404	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.1	178.7	-173.5	-175.2	-71.1	0	0	110.9	Y625 W626 S657 S658	Y625-M655 HydrophobicContact CD1-CB 3.86Å; Y625-M655 HydrophobicContact CD1-CG 4.26Å; Y625-M655 HydrophobicContact CE1-CB 3.81Å; Y625-M655 HydrophobicContact CE1-CE 3.85Å; Y625-M655 HydrophobicContact CE1-CG 3.91Å; W626-M655 WeakPolarHBondContact CZ3-O 3.32Å; M655-S657 WeakPolarHBondContact CG-O 3.5Å; M655-S658 VanDerWaalsContact SD-CA 3.54Å
656	V	98.2	Very high	95.3	Very high	16 Å²	16	49 Å²	49	10%	0.097	27%	0.266	C	S	.	.	S	Bend	trans	-61.5	-51.1	176.4	173.2	0	0	0	0	111.5	F624 W626 F677 T678 W680 V681	F624-V656 HydrophobicContact CB-CB 3.9Å; F624-V656 HydrophobicContact CB-CG2 3.68Å; F624-V656 WeakPolarHBondContact O-CB 3.32Å; F624-V656 WeakPolarHBondContact O-CG2 2.99Å; F624-V656 PolarHBondContact O-N 2.78Å; W626-V656 HydrophobicContact CE3-CG2 3.73Å; W626-V656 HydrophobicContact CZ3-CG2 4.11Å; V656-F677 HydrophobicContact CG1-CB 3.88Å; V656-T678 HydrophobicContact CG1-CG2 3.57Å; V656-W680 HydrophobicContact CG1-CZ2 4.44Å; V656-W680 HydrophobicContact CG2-CH2 4.07Å; V656-W680 HydrophobicContact CG2-CZ2 4.37Å; V656-V681 HydrophobicContact CG1-CB 3.94Å; V656-V681 HydrophobicContact CG1-CG1 4.3Å; V656-V681 HydrophobicContact CG1-CG2 3.85Å; V656-V681 HydrophobicContact CG2-CG2 4.4Å
657	S	97.8	Very high	94.9	Very high	31 Å²	31	50.5 Å²	50.5	22%	0.217	28%	0.275	C	S	.	.			trans	-159.6	148.5	172.7	-179.1	0	0	0	0	109.5	N623 M655 K659	N623-S657 PolarHBondContact ND2-O 2.96Å; N623-S657 PolarHBondContact OD1-O 3.19Å; M655-S657 WeakPolarHBondContact CG-O 3.5Å; S657-K659 VanDerWaalsContact C-N 3.31Å; S657-K659 WeakPolarHBondContact CB-O 3.38Å; S657-K659 PolarHBondContact OG-N 2.89Å; S657-K659 PolarHBondContact OG-O 3.17Å
658	S	96.3	Very high	94.5	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	30%	0.296	S	S	.	.	S	Bend	trans	-82.6	-10.5	172.5	57.4	0	0	0	0	113.3	M655	M655-S658 VanDerWaalsContact SD-CA 3.54Å
659	K	95.5	Very high	94.4	Very high	117 Å²	117	53.3 Å²	53.3	51%	0.509	30%	0.295	S	S	.	.			trans	-139	146.8	179.8	-56.5	-166.2	174.3	-149.1	0	111.2	D602 T603 S657	D602-K659 WeakPolarHBondContact O-CD 3.31Å; D602-K659 WeakPolarHBondContact O-CE 3.34Å; D602-K659 PolarHBondContact O-NZ 2.6Å; T603-K659 HydrophobicContact CG2-CG 4.48Å; T603-K659 CarbonylContact O-C 3.55Å; T603-K659 WeakPolarHBondContact O-CA 3.45Å; S657-K659 VanDerWaalsContact C-N 3.31Å; S657-K659 WeakPolarHBondContact CB-O 3.38Å; S657-K659 PolarHBondContact OG-N 2.89Å; S657-K659 PolarHBondContact OG-O 3.17Å
660	A	95.3	Very high	94.4	Very high	12 Å²	12	49.6 Å²	49.6	10%	0.099	28%	0.275	C	S	.	.			trans	-110.9	135.4	169.5	0	0	0	0	0	110	T603 L605 Q675 W676 F677	T603-A660 PolarHBondContact O-N 3.29Å; L605-A660 HydrophobicContact CD2-CB 4.13Å; A660-Q675 HydrophobicContact CB-CB 3.89Å; A660-Q675 HydrophobicContact CB-CG 4.14Å; A660-W676 WeakPolarHBondContact CA-O 3.27Å; A660-F677 HydrophobicContact CB-CD1 4.31Å; A660-F677 HydrophobicContact CB-CD2 4.48Å; A660-F677 HydrophobicContact CB-CE1 4.14Å; A660-F677 HydrophobicContact CB-CE2 4.28Å; A660-F677 HydrophobicContact CB-CG 4.48Å; A660-F677 HydrophobicContact CB-CZ 4.11Å
661	R	94.1	Very high	94.5	Very high	148 Å²	148	48.5 Å²	48.5	56%	0.558	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.4	159.9	174.6	179.8	168.4	176.3	-3.2	107.6	E663 Q675 W676	R661-E663 IonicContact NH2-OE1 3.36Å; R661-Q675 CarbonylContact O-C 3.44Å; R661-Q675 WeakPolarHBondContact O-CA 3.43Å; R661-W676 HydrophobicContact CB-CB 4.44Å; R661-W676 HydrophobicContact CG-CE3 4.48Å; R661-W676 PolarHBondContact N-O 2.8Å; R661-W676 PolarHBondContact O-N 3.25Å
662	V	93.4	Very high	94.5	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.6	-176.7	-60.3	0	0	0	0	114.3	A586 V673 R674 Q675	A586-V662 HydrophobicContact CB-CG2 3.94Å; V662-V673 HydrophobicContact CB-CG1 4.2Å; V662-V673 HydrophobicContact CG1-CG1 4.13Å; V662-R674 CarbonylContact C-O 3.46Å; V662-R674 WeakPolarHBondContact CA-O 3.28Å; V662-Q675 HydrophobicContact CG1-CG 4.08Å
663	E	93.1	Very high	94.5	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.8	163.9	-73	178.1	-179.8	0	0	109.2	P582 Q583 H584 R661 F665 V673 R674 W676	P582-E663 HydrophobicContact CB-CB 4.13Å; P582-E663 HydrophobicContact CB-CG 4.1Å; Q583-E663 WeakPolarHBondContact O-CA 3.46Å; H584-E663 IonicContact CE1-OE1 3.15Å; R661-E663 IonicContact NH2-OE1 3.36Å; E663-F665 HydrophobicContact CB-CE2 4.25Å; E663-V673 WeakPolarHBondContact O-CA 3.47Å; E663-R674 HydrophobicContact CB-CB 4.29Å; E663-R674 PolarHBondContact N-O 2.93Å; E663-R674 PolarHBondContact O-N 2.88Å; E663-W676 HydrophobicContact CB-CH2 3.92Å; E663-W676 HydrophobicContact CB-CZ3 3.76Å; E663-W676 VanDerWaalsContact CD-CH2 3.47Å; E663-W676 HydrophobicContact CG-CH2 3.81Å; E663-W676 HydrophobicContact CG-CZ3 3.62Å; E663-W676 VanDerWaalsContact OE2-CH2 3.3Å; E663-W676 WeakPolarHBondContact OE2-CH2 3.16Å
664	I	90.6	Very high	94.4	Very high	5 Å²	5	40 Å²	40	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.9	-172.1	-57.2	149.3	0	0	0	110.5	Q583 Q585 P587 Q666 E672 V673	Q583-I664 HydrophobicContact CB-CB 4.39Å; Q583-I664 HydrophobicContact CB-CD1 4.4Å; Q583-I664 PolarHBondContact O-N 3.28Å; Q583-I664 VanDerWaalsContact O-N 3.08Å; Q585-I664 WeakPolarHBondContact O-CD1 3.48Å; P587-I664 HydrophobicContact CB-CD1 4Å; P587-I664 HydrophobicContact CB-CG2 4.49Å; P587-I664 HydrophobicContact CG-CD1 3.77Å; P587-I664 HydrophobicContact CG-CG1 3.95Å; P587-I664 HydrophobicContact CG-CG2 4.2Å; I664-Q666 HydrophobicContact CG2-CG 3.95Å; I664-E672 WeakPolarHBondContact CA-O 3.48Å; I664-V673 HydrophobicContact CG1-CG1 4.45Å; I664-V673 HydrophobicContact CG1-CG2 4.32Å
665	F	90.9	Very high	94.3	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.1	170.8	-60.9	-89.5	0	0	0	108.4	L534 P535 P582 E663 Q671 E672 R674	L534-F665 HydrophobicContact CD2-CB 3.95Å; L534-F665 HydrophobicContact CD2-CD1 3.79Å; L534-F665 HydrophobicContact CD2-CG 4.03Å; P535-F665 HydrophobicContact CG-CE1 3.68Å; P535-F665 HydrophobicContact CG-CZ 3.58Å; P582-F665 HydrophobicContact CB-CE1 4.17Å; P582-F665 HydrophobicContact CB-CE2 4.22Å; P582-F665 HydrophobicContact CB-CZ 3.69Å; P582-F665 HydrophobicContact CG-CZ 4.41Å; E663-F665 HydrophobicContact CB-CE2 4.25Å; F665-Q671 CarbonylContact O-C 3.59Å; F665-Q671 VanDerWaalsContact O-CA 3.32Å; F665-Q671 WeakPolarHBondContact O-CA 3.44Å; F665-E672 HydrophobicContact CB-CG 3.95Å; F665-E672 HydrophobicContact CD2-CG 4.17Å; F665-E672 HydrophobicContact CG-CG 4.47Å; F665-E672 PolarHBondContact N-O 3.14Å; F665-E672 PolarHBondContact O-N 3.44Å; F665-R674 VanDerWaalsContact CE2-CZ 3.45Å
666	Q	90.8	Very high	94.2	Very high	100 Å²	100	35.2 Å²	35.2	47%	0.467	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.8	175.1	-68.8	-179	-54.1	0	0	109	S589 I664 Q671	S589-Q666 PolarHBondContact O-NE2 2.92Å; I664-Q666 HydrophobicContact CG2-CG 3.95Å; Q666-Q671 HydrophobicContact CB-CG 4.25Å; Q666-Q671 HydrophobicContact CG-CB 4.3Å; Q666-Q671 HydrophobicContact CG-CG 4.12Å; Q666-Q671 VanDerWaalsContact NE2-OE1 3.11Å
667	N	90.3	Very high	94.2	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.171	18%	0.177	C	C	.	.			trans	-141.2	179.9	176.1	61.4	66	0	0	0	110	Q532 V669 V670	Q532-N667 HydrophobicContact CG-CB 3.89Å; Q532-N667 WeakPolarHBondContact CG-OD1 3.46Å; N667-V669 VanDerWaalsContact C-N 3.28Å; N667-V669 PolarHBondContact O-N 3.5Å; N667-V669 PolarHBondContact OD1-N 3.36Å; N667-V670 PolarHBondContact N-O 3.49Å; N667-V670 PolarHBondContact ND2-O 2.59Å; N667-V670 VanDerWaalsContact ND2-O 3.14Å; N667-V670 PolarHBondContact OD1-N 3.15Å; N667-V670 PolarHBondContact OD1-O 2.93Å
668	S	89.4	Confident	94.1	Very high	68 Å²	68	35.2 Å²	35.2	48%	0.476	18%	0.176	S	C	.	.	S	Bend	trans	-68.2	-23.4	-176.7	52.1	0	0	0	0	114.2	D530 Q532 A689	D530-S668 VanDerWaalsContact OD2-CB 3.24Å; D530-S668 WeakPolarHBondContact OD2-CB 3.4Å; D530-S668 PolarHBondContact OD2-OG 2.77Å; Q532-S668 PolarHBondContact NE2-OG 3.03Å; S668-A689 WeakPolarHBondContact O-CB 3.49Å
669	V	93.2	Very high	94.1	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-95.7	-41.1	-174.7	175.6	0	0	0	0	111.8	D530 Q532 V555 N667 A689	D530-V669 HydrophobicContact CB-CG2 4.16Å; D530-V669 WeakPolarHBondContact OD2-CG2 3.33Å; Q532-V669 HydrophobicContact CB-CB 4.43Å; Q532-V669 HydrophobicContact CB-CG2 4.4Å; Q532-V669 HydrophobicContact CG-CB 3.96Å; Q532-V669 HydrophobicContact CG-CG2 3.65Å; V555-V669 HydrophobicContact CG1-CG1 4.11Å; N667-V669 VanDerWaalsContact C-N 3.28Å; N667-V669 PolarHBondContact O-N 3.5Å; N667-V669 PolarHBondContact OD1-N 3.36Å; V669-A689 PolarHBondContact O-N 3.45Å
670	V	95	Very high	94.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.5	-176.1	65	0	0	0	0	110.9	L534 V555 N667 R686 Y688	L534-V670 HydrophobicContact CD1-CG1 3.92Å; V555-V670 HydrophobicContact CG1-CG1 4.11Å; N667-V670 PolarHBondContact N-O 3.49Å; N667-V670 PolarHBondContact ND2-O 2.59Å; N667-V670 VanDerWaalsContact ND2-O 3.14Å; N667-V670 PolarHBondContact OD1-N 3.15Å; N667-V670 PolarHBondContact OD1-O 2.93Å; V670-R686 HydrophobicContact CG2-CB 4.45Å; V670-Y688 HydrophobicContact CB-CD1 3.86Å; V670-Y688 HydrophobicContact CB-CE1 4.05Å; V670-Y688 HydrophobicContact CG2-CD1 3.78Å; V670-Y688 HydrophobicContact CG2-CE1 3.82Å; V670-Y688 HydrophobicContact CG2-CG 4.29Å
671	Q	95.5	Very high	94.2	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.2	162.8	-58	-171.8	21.6	0	0	108.4	I590 Q591 F665 Q666 L687	I590-Q671 VanDerWaalsContact CA-OE1 3.3Å; I590-Q671 HydrophobicContact CB-CB 3.9Å; I590-Q671 HydrophobicContact CG2-CB 4.05Å; Q591-Q671 PolarHBondContact O-NE2 2.88Å; F665-Q671 CarbonylContact O-C 3.59Å; F665-Q671 VanDerWaalsContact O-CA 3.32Å; F665-Q671 WeakPolarHBondContact O-CA 3.44Å; Q666-Q671 HydrophobicContact CB-CG 4.25Å; Q666-Q671 HydrophobicContact CG-CB 4.3Å; Q666-Q671 HydrophobicContact CG-CG 4.12Å; Q666-Q671 VanDerWaalsContact NE2-OE1 3.11Å; Q671-L687 PolarHBondContact N-O 2.66Å; Q671-L687 PolarHBondContact O-N 3.33Å
672	E	94.8	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.2	178.4	62.9	174.8	-150.2	0	0	112.8	R511 L534 I664 F665 R674 V684 V685 R686	R511-E672 IonicContact CZ-OE2 3.88Å; R511-E672 IonicContact NH1-OE2 3.62Å; R511-E672 PolarHBondContact NH1-OE2 2.91Å; R511-E672 IonicContact NH2-OE1 3.58Å; R511-E672 PolarHBondContact NH2-OE1 3.03Å; R511-E672 IonicContact NH2-OE2 2.77Å; R511-E672 PolarHBondContact NH2-OE2 3.18Å; L534-E672 HydrophobicContact CD1-CG 4.38Å; I664-E672 WeakPolarHBondContact CA-O 3.48Å; F665-E672 HydrophobicContact CB-CG 3.95Å; F665-E672 HydrophobicContact CD2-CG 4.17Å; F665-E672 HydrophobicContact CG-CG 4.47Å; F665-E672 PolarHBondContact N-O 3.14Å; F665-E672 PolarHBondContact O-N 3.44Å; E672-R674 IonicContact OE1-CZ 3.47Å; E672-R674 IonicContact OE1-NE 3.88Å; E672-R674 PolarHBondContact OE1-NE 3.13Å; E672-R674 IonicContact OE1-NH2 3.89Å; E672-R674 PolarHBondContact OE1-NH2 3.38Å; E672-V684 HydrophobicContact CB-CG1 3.95Å; E672-V685 CarbonylContact C-O 3.45Å; E672-V685 VanDerWaalsContact CA-O 3.23Å; E672-V685 WeakPolarHBondContact CA-O 3.33Å; E672-R686 HydrophobicContact CB-CB 4.48Å; E672-R686 HydrophobicContact CB-CG 3.9Å; E672-R686 IonicContact OE2-NE 3.77Å; E672-R686 PolarHBondContact OE2-NE 3.39Å; E672-R686 VanDerWaalsContact OE2-NE 3.11Å
673	V	96	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.7	170	-176.4	0	0	0	0	107.6	P587 I590 F599 V662 E663 I664 Q675 V685	P587-V673 HydrophobicContact CG-CG2 3.82Å; I590-V673 HydrophobicContact CD1-CG2 4.5Å; I590-V673 HydrophobicContact CG2-CG2 3.79Å; F599-V673 HydrophobicContact CD1-CG1 4.39Å; F599-V673 HydrophobicContact CD2-CG2 4.42Å; F599-V673 HydrophobicContact CE1-CB 3.93Å; F599-V673 HydrophobicContact CE1-CG1 3.99Å; F599-V673 HydrophobicContact CE1-CG2 3.99Å; F599-V673 HydrophobicContact CE2-CG2 3.69Å; F599-V673 HydrophobicContact CZ-CB 3.81Å; F599-V673 HydrophobicContact CZ-CG1 4.31Å; F599-V673 HydrophobicContact CZ-CG2 3.43Å; F599-V673 VanDerWaalsContact CZ-CG2 3.43Å; V662-V673 HydrophobicContact CB-CG1 4.2Å; V662-V673 HydrophobicContact CG1-CG1 4.13Å; E663-V673 WeakPolarHBondContact O-CA 3.47Å; I664-V673 HydrophobicContact CG1-CG1 4.45Å; I664-V673 HydrophobicContact CG1-CG2 4.32Å; V673-Q675 HydrophobicContact CG1-CG 4.25Å; V673-V685 HydrophobicContact CB-CB 4.39Å; V673-V685 PolarHBondContact N-O 3.25Å; V673-V685 PolarHBondContact O-N 2.68Å
674	R	96.1	Very high	94.9	Very high	4 Å²	4	26 Å²	26	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.9	176.1	-56.9	175.3	-177.8	-172.8	-5.4	108.1	P535 V662 E663 F665 E672 W676 V684	P535-R674 PolarHBondContact O-NH1 2.63Å; P535-R674 PolarHBondContact O-NH2 3.09Å; V662-R674 CarbonylContact C-O 3.46Å; V662-R674 WeakPolarHBondContact CA-O 3.28Å; E663-R674 HydrophobicContact CB-CB 4.29Å; E663-R674 PolarHBondContact N-O 2.93Å; E663-R674 PolarHBondContact O-N 2.88Å; F665-R674 VanDerWaalsContact CE2-CZ 3.45Å; E672-R674 IonicContact OE1-CZ 3.47Å; E672-R674 IonicContact OE1-NE 3.88Å; E672-R674 PolarHBondContact OE1-NE 3.13Å; E672-R674 IonicContact OE1-NH2 3.89Å; E672-R674 PolarHBondContact OE1-NH2 3.38Å; R674-W676 HydrophobicContact CB-CE3 4.49Å; R674-W676 HydrophobicContact CB-CH2 3.41Å; R674-W676 VanDerWaalsContact CB-CH2 3.41Å; R674-W676 HydrophobicContact CB-CZ2 4.15Å; R674-W676 HydrophobicContact CB-CZ3 3.62Å; R674-W676 HydrophobicContact CG-CH2 4.33Å; R674-W676 WeakPolarHBondContact O-CZ3 3.47Å; R674-V684 HydrophobicContact CG-CG1 3.96Å; R674-V684 HydrophobicContact CG-CG2 4.18Å
675	Q	96.5	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.1	-175.8	-69.3	171.8	-44.5	0	0	110.2	G604 A660 R661 V662 V673 F677 S682 Q683 V685	G604-Q675 PolarHBondContact O-NE2 2.97Å; A660-Q675 HydrophobicContact CB-CB 3.89Å; A660-Q675 HydrophobicContact CB-CG 4.14Å; R661-Q675 CarbonylContact O-C 3.44Å; R661-Q675 WeakPolarHBondContact O-CA 3.43Å; V662-Q675 HydrophobicContact CG1-CG 4.08Å; V673-Q675 HydrophobicContact CG1-CG 4.25Å; Q675-F677 HydrophobicContact CB-CD2 4.41Å; Q675-F677 HydrophobicContact CB-CE2 3.68Å; Q675-F677 HydrophobicContact CB-CZ 4.28Å; Q675-S682 CarbonylContact O-C 3.5Å; Q675-S682 VanDerWaalsContact O-CA 3.28Å; Q675-S682 WeakPolarHBondContact O-CA 3.33Å; Q675-S682 WeakPolarHBondContact O-CB 3.27Å; Q675-Q683 HydrophobicContact CB-CB 4.41Å; Q675-Q683 PolarHBondContact N-O 2.89Å; Q675-Q683 PolarHBondContact O-N 3.04Å; Q675-V685 VanDerWaalsContact OE1-CG2 3.31Å
676	W	96.1	Very high	95.5	Very high	42 Å²	42	25.7 Å²	25.7	16%	0.159	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.5	171.8	-65.3	-93.7	0	0	0	109.8	A660 R661 E663 R674	A660-W676 WeakPolarHBondContact CA-O 3.27Å; R661-W676 HydrophobicContact CB-CB 4.44Å; R661-W676 HydrophobicContact CG-CE3 4.48Å; R661-W676 PolarHBondContact N-O 2.8Å; R661-W676 PolarHBondContact O-N 3.25Å; E663-W676 HydrophobicContact CB-CH2 3.92Å; E663-W676 HydrophobicContact CB-CZ3 3.76Å; E663-W676 VanDerWaalsContact CD-CH2 3.47Å; E663-W676 HydrophobicContact CG-CH2 3.81Å; E663-W676 HydrophobicContact CG-CZ3 3.62Å; E663-W676 VanDerWaalsContact OE2-CH2 3.3Å; E663-W676 WeakPolarHBondContact OE2-CH2 3.16Å; R674-W676 HydrophobicContact CB-CE3 4.49Å; R674-W676 HydrophobicContact CB-CH2 3.41Å; R674-W676 VanDerWaalsContact CB-CH2 3.41Å; R674-W676 HydrophobicContact CB-CZ2 4.15Å; R674-W676 HydrophobicContact CB-CZ3 3.62Å; R674-W676 HydrophobicContact CG-CH2 4.33Å; R674-W676 WeakPolarHBondContact O-CZ3 3.47Å
677	F	97.3	Very high	95.9	Very high	15 Å²	15	21 Å²	21	7%	0.066	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-47.8	-179	-64.4	-102.1	0	0	0	110.3	L605 N623 F624 V656 A660 Q675 V681 Q683	L605-F677 HydrophobicContact CD2-CD1 4.41Å; L605-F677 HydrophobicContact CD2-CE1 3.38Å; L605-F677 HydrophobicContact CD2-CZ 3.79Å; N623-F677 WeakPolarHBondContact OD1-CE1 3.24Å; F624-F677 HydrophobicContact CD2-CD1 4.19Å; F624-F677 AromaticContact CD2-CD2 3.85Å; F624-F677 HydrophobicContact CD2-CD2 3.85Å; F624-F677 AromaticContact CD2-CE1 3.95Å; F624-F677 HydrophobicContact CD2-CE1 3.95Å; F624-F677 AromaticContact CD2-CE2 3.62Å; F624-F677 HydrophobicContact CD2-CE2 3.62Å; F624-F677 HydrophobicContact CD2-CG 4.15Å; F624-F677 AromaticContact CD2-CZ 3.68Å; F624-F677 HydrophobicContact CD2-CZ 3.68Å; F624-F677 AromaticContact CE2-CD2 3.97Å; F624-F677 HydrophobicContact CE2-CD2 3.97Å; F624-F677 HydrophobicContact CE2-CE1 4.49Å; F624-F677 AromaticContact CE2-CE2 3.46Å; F624-F677 HydrophobicContact CE2-CE2 3.46Å; F624-F677 VanDerWaalsContact CE2-CE2 3.46Å; F624-F677 AromaticContact CE2-CZ 3.77Å; F624-F677 HydrophobicContact CE2-CZ 3.77Å; V656-F677 HydrophobicContact CG1-CB 3.88Å; A660-F677 HydrophobicContact CB-CD1 4.31Å; A660-F677 HydrophobicContact CB-CD2 4.48Å; A660-F677 HydrophobicContact CB-CE1 4.14Å; A660-F677 HydrophobicContact CB-CE2 4.28Å; A660-F677 HydrophobicContact CB-CG 4.48Å; A660-F677 HydrophobicContact CB-CZ 4.11Å; Q675-F677 HydrophobicContact CB-CD2 4.41Å; Q675-F677 HydrophobicContact CB-CE2 3.68Å; Q675-F677 HydrophobicContact CB-CZ 4.28Å; F677-V681 HydrophobicContact CB-CB 4.31Å; F677-V681 HydrophobicContact CB-CG1 4.31Å; F677-V681 HydrophobicContact CD2-CG1 4.31Å; F677-V681 PolarHBondContact N-O 3.47Å; F677-Q683 HydrophobicContact CE2-CB 4.16Å
678	T	96.7	Very high	96.1	Very high	33 Å²	33	20 Å²	20	20%	0.202	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	170.8	177.1	62.1	0	0	0	0	109.2	V656 W680 V681	V656-T678 HydrophobicContact CG1-CG2 3.57Å; T678-W680 PolarHBondContact O-N 2.81Å; T678-W680 VanDerWaalsContact OG1-CD1 3.3Å; T678-W680 PolarHBondContact OG1-NE1 2.96Å; T678-V681 PolarHBondContact N-O 3.43Å; T678-V681 PolarHBondContact O-N 2.54Å; T678-V681 VanDerWaalsContact O-O 3.05Å; T678-V681 PolarHBondContact OG1-N 3.13Å
679	P	94.6	Very high	96.4	Very high	128 Å²	128	18.2 Å²	18.2	83%	0.831	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.3	175.1	-27.3	36.7	0	0	0	115.3
680	W	96.3	Very high	96.3	Very high	37 Å²	37	22.4 Å²	22.4	14%	0.14	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	2.1	-177.8	63	-85.4	0	0	0	113.2	W626 V656 T678 V700 G701 P702 V703 P704 V713	W626-W680 HydrophobicContact CE3-CH2 4.49Å; V656-W680 HydrophobicContact CG1-CZ2 4.44Å; V656-W680 HydrophobicContact CG2-CH2 4.07Å; V656-W680 HydrophobicContact CG2-CZ2 4.37Å; T678-W680 PolarHBondContact O-N 2.81Å; T678-W680 VanDerWaalsContact OG1-CD1 3.3Å; T678-W680 PolarHBondContact OG1-NE1 2.96Å; W680-V700 HydrophobicContact CE3-CG1 4.37Å; W680-V700 HydrophobicContact CZ3-CG1 4.25Å; W680-V700 WeakPolarHBondContact O-CA 3.16Å; W680-G701 PolarHBondContact O-N 2.96Å; W680-P702 WeakPolarHBondContact CB-O 3.42Å; W680-V703 HydrophobicContact CE3-CG2 4.44Å; W680-V703 HydrophobicContact CZ3-CG2 4.46Å; W680-P704 HydrophobicContact CD2-CG 4.21Å; W680-P704 HydrophobicContact CG-CG 4.43Å; W680-P704 HydrophobicContact CZ2-CG 4.3Å; W680-V713 HydrophobicContact CH2-CG2 4.2Å; W680-V713 HydrophobicContact CZ3-CG1 4.27Å; W680-V713 HydrophobicContact CZ3-CG2 3.7Å
681	V	98.4	Very high	96.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	118.9	175.6	-175.6	0	0	0	0	110.7	F624 V656 F677 T678	F624-V681 HydrophobicContact CB-CG1 4.09Å; F624-V681 HydrophobicContact CD1-CG1 3.91Å; F624-V681 HydrophobicContact CD2-CG1 3.8Å; F624-V681 HydrophobicContact CE1-CG1 4.26Å; F624-V681 HydrophobicContact CE2-CG1 4.18Å; F624-V681 HydrophobicContact CG-CG1 3.65Å; F624-V681 HydrophobicContact CZ-CG1 4.39Å; V656-V681 HydrophobicContact CG1-CB 3.94Å; V656-V681 HydrophobicContact CG1-CG1 4.3Å; V656-V681 HydrophobicContact CG1-CG2 3.85Å; V656-V681 HydrophobicContact CG2-CG2 4.4Å; F677-V681 HydrophobicContact CB-CB 4.31Å; F677-V681 HydrophobicContact CB-CG1 4.31Å; F677-V681 HydrophobicContact CD2-CG1 4.31Å; F677-V681 PolarHBondContact N-O 3.47Å; T678-V681 PolarHBondContact N-O 3.43Å; T678-V681 PolarHBondContact O-N 2.54Å; T678-V681 VanDerWaalsContact O-O 3.05Å; T678-V681 PolarHBondContact OG1-N 3.13Å
682	S	98.1	Very high	96.2	Very high	13 Å²	13	26.7 Å²	26.7	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158	171.8	59.2	0	0	0	0	111.4	A539 Q675 T699	A539-S682 WeakPolarHBondContact CB-OG 3.37Å; Q675-S682 CarbonylContact O-C 3.5Å; Q675-S682 VanDerWaalsContact O-CA 3.28Å; Q675-S682 WeakPolarHBondContact O-CA 3.33Å; Q675-S682 WeakPolarHBondContact O-CB 3.27Å; S682-T699 PolarHBondContact N-O 3.2Å; S682-T699 PolarHBondContact O-N 3.46Å
683	Q	98	Very high	96.4	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.3	177.5	-177.1	173.3	-90.6	0	0	110.3	F624 Q675 F677 V685 E697	F624-Q683 HydrophobicContact CE2-CB 3.86Å; F624-Q683 HydrophobicContact CE2-CG 4.48Å; F624-Q683 HydrophobicContact CZ-CB 3.93Å; F624-Q683 HydrophobicContact CZ-CG 4.32Å; F624-Q683 VanDerWaalsContact CZ-OE1 3.22Å; Q675-Q683 HydrophobicContact CB-CB 4.41Å; Q675-Q683 PolarHBondContact N-O 2.89Å; Q675-Q683 PolarHBondContact O-N 3.04Å; F677-Q683 HydrophobicContact CE2-CB 4.16Å; Q683-V685 HydrophobicContact CG-CG2 4.48Å; Q683-E697 CarbonylContact C-O 3.56Å; Q683-E697 WeakPolarHBondContact CA-O 3.46Å
684	V	97.7	Very high	96.5	Very high	10 Å²	10	26.9 Å²	26.9	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.7	163.6	-167.6	0	0	0	0	108.6	E672 R674 R686 E697	E672-V684 HydrophobicContact CB-CG1 3.95Å; R674-V684 HydrophobicContact CG-CG1 3.96Å; R674-V684 HydrophobicContact CG-CG2 4.18Å; V684-R686 HydrophobicContact CB-CG 4.32Å; V684-R686 HydrophobicContact CG1-CG 3.59Å; V684-E697 HydrophobicContact CB-CB 4.46Å; V684-E697 PolarHBondContact N-O 3.5Å; V684-E697 PolarHBondContact O-N 2.8Å
685	V	98.2	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.3	173.2	-175.2	0	0	0	0	106.7	I590 F599 L606 E672 V673 Q675 Q683 V694 E695 L696	I590-V685 HydrophobicContact CD1-CG1 4.31Å; F599-V685 HydrophobicContact CE1-CB 4.37Å; F599-V685 HydrophobicContact CE1-CG1 4.32Å; F599-V685 HydrophobicContact CE1-CG2 4.25Å; F599-V685 HydrophobicContact CZ-CB 4.34Å; F599-V685 HydrophobicContact CZ-CG1 4.02Å; L606-V685 HydrophobicContact CD1-CB 4.36Å; L606-V685 HydrophobicContact CD1-CG1 4.01Å; L606-V685 HydrophobicContact CD1-CG2 3.49Å; L606-V685 VanDerWaalsContact CD1-CG2 3.49Å; E672-V685 CarbonylContact C-O 3.45Å; E672-V685 VanDerWaalsContact CA-O 3.23Å; E672-V685 WeakPolarHBondContact CA-O 3.33Å; V673-V685 HydrophobicContact CB-CB 4.39Å; V673-V685 PolarHBondContact N-O 3.25Å; V673-V685 PolarHBondContact O-N 2.68Å; Q675-V685 VanDerWaalsContact OE1-CG2 3.31Å; Q683-V685 HydrophobicContact CG-CG2 4.48Å; V685-V694 HydrophobicContact CG1-CG1 3.82Å; V685-E695 CarbonylContact C-O 3.48Å; V685-E695 WeakPolarHBondContact CA-O 3.5Å; V685-L696 HydrophobicContact CB-CD2 4.29Å; V685-L696 HydrophobicContact CG1-CD2 3.98Å; V685-L696 HydrophobicContact CG2-CD2 3.94Å
686	R	97.3	Very high	96.7	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.5	-176.4	-53.7	-170.8	-179.7	111.2	2.6	111.9	V670 E672 V684 Y688 E695 E697	V670-R686 HydrophobicContact CG2-CB 4.45Å; E672-R686 HydrophobicContact CB-CB 4.48Å; E672-R686 HydrophobicContact CB-CG 3.9Å; E672-R686 IonicContact OE2-NE 3.77Å; E672-R686 PolarHBondContact OE2-NE 3.39Å; E672-R686 VanDerWaalsContact OE2-NE 3.11Å; V684-R686 HydrophobicContact CB-CG 4.32Å; V684-R686 HydrophobicContact CG1-CG 3.59Å; R686-Y688 HydrophobicContact CB-CE2 4.4Å; R686-E695 HydrophobicContact CB-CB 4.21Å; R686-E695 IonicContact CZ-OE1 3.63Å; R686-E695 PolarHBondContact N-O 2.74Å; R686-E695 IonicContact NH1-OE1 3.78Å; R686-E695 PolarHBondContact NH1-OE1 3.37Å; R686-E695 PolarHBondContact O-N 3.11Å; R686-E697 IonicContact CZ-OE1 3.17Å; R686-E697 IonicContact CZ-OE2 2.76Å; R686-E697 IonicContact NH1-OE1 2.78Å; R686-E697 PolarHBondContact NH1-OE1 3.29Å; R686-E697 IonicContact NH1-OE2 3.67Å; R686-E697 PolarHBondContact NH1-OE2 3.23Å; R686-E697 VanDerWaalsContact NH2-CD 3.33Å; R686-E697 IonicContact NH2-OE1 3.93Å; R686-E697 PolarHBondContact NH2-OE1 3.15Å; R686-E697 IonicContact NH2-OE2 3.7Å; R686-E697 PolarHBondContact NH2-OE2 3.47Å
687	L	97.3	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	102.3	171.9	-170.3	62.2	0	0	0	109.2	I590 N592 L595 Q671 V694	I590-L687 HydrophobicContact CD1-CB 3.89Å; I590-L687 HydrophobicContact CG1-CB 4.39Å; I590-L687 HydrophobicContact CG1-CD2 4.38Å; N592-L687 HydrophobicContact CB-CD2 3.9Å; N592-L687 HydrophobicContact CB-CG 3.88Å; N592-L687 VanDerWaalsContact ND2-CD1 3.34Å; N592-L687 WeakPolarHBondContact ND2-CD1 3.26Å; N592-L687 WeakPolarHBondContact ND2-CG 3.24Å; L595-L687 HydrophobicContact CB-CD1 4.11Å; L595-L687 HydrophobicContact CB-CD2 4.37Å; L595-L687 HydrophobicContact CD1-CD1 4.11Å; Q671-L687 PolarHBondContact N-O 2.66Å; Q671-L687 PolarHBondContact O-N 3.33Å; L687-V694 HydrophobicContact CD1-CG2 4.45Å
688	Y	96.5	Very high	96.8	Very high	13 Å²	13	26.1 Å²	26.1	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	147.7	175.7	-69.6	-78.3	0	0	0	111.2	P509 V555 N592 V670 R686 D690 S691	P509-Y688 HydrophobicContact CB-CD1 3.72Å; P509-Y688 HydrophobicContact CB-CD2 4.01Å; P509-Y688 HydrophobicContact CB-CE1 3.37Å; P509-Y688 HydrophobicContact CB-CE2 3.69Å; P509-Y688 HydrophobicContact CB-CG 4.02Å; P509-Y688 HydrophobicContact CG-CD2 4.08Å; P509-Y688 HydrophobicContact CG-CE1 4.36Å; P509-Y688 HydrophobicContact CG-CE2 3.76Å; V555-Y688 HydrophobicContact CG1-CE1 3.91Å; N592-Y688 PolarHBondContact ND2-O 3.14Å; V670-Y688 HydrophobicContact CB-CD1 3.86Å; V670-Y688 HydrophobicContact CB-CE1 4.05Å; V670-Y688 HydrophobicContact CG2-CD1 3.78Å; V670-Y688 HydrophobicContact CG2-CE1 3.82Å; V670-Y688 HydrophobicContact CG2-CG 4.29Å; R686-Y688 HydrophobicContact CB-CE2 4.4Å; Y688-D690 VanDerWaalsContact C-N 3.3Å; Y688-D690 PolarHBondContact O-N 2.86Å; Y688-D690 VanDerWaalsContact O-N 3.14Å; Y688-S691 PolarHBondContact O-N 3.24Å; Y688-S691 VanDerWaalsContact O-N 3.08Å
689	A	93.8	Very high	96.9	Very high	29 Å²	29	25 Å²	25	24%	0.24	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-46.2	-172.7	0	0	0	0	0	114.4	N592 S668 V669	N592-A689 WeakPolarHBondContact CB-O 3.31Å; N592-A689 PolarHBondContact ND2-O 3.31Å; S668-A689 WeakPolarHBondContact O-CB 3.49Å; V669-A689 PolarHBondContact O-N 3.45Å
690	D	91.3	Very high	97.1	Very high	95 Å²	95	18.9 Å²	18.9	51%	0.508	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	15.4	-177	-67.1	-48	0	0	0	114.7	Q557 Y688	Q557-D690 PolarHBondContact OE1-OD2 3.12Å; Y688-D690 VanDerWaalsContact C-N 3.3Å; Y688-D690 PolarHBondContact O-N 2.86Å; Y688-D690 VanDerWaalsContact O-N 3.14Å
691	S	94.3	Very high	97.1	Very high	31 Å²	31	17.4 Å²	17.4	22%	0.217	10%	0.096	C	C	.	.			trans	-87.6	135.8	179.3	-177.9	0	0	0	0	112.6	N592 F594 Y688 A693	N592-S691 PolarHBondContact ND2-O 3.37Å; F594-S691 WeakPolarHBondContact CD2-O 3.21Å; Y688-S691 PolarHBondContact O-N 3.24Å; Y688-S691 VanDerWaalsContact O-N 3.08Å; S691-A693 VanDerWaalsContact C-N 3.29Å; S691-A693 PolarHBondContact OG-N 3.49Å; S691-A693 PolarHBondContact OG-O 3.4Å
692	K	95.5	Very high	97.1	Very high	98 Å²	98	19.4 Å²	19.4	43%	0.426	11%	0.109	S	C	.	.	S	Bend	trans	-90.9	11	167.7	-60.4	-164.5	179.2	-150	0	113.5	F594 L595 E613	F594-K692 HydrophobicContact CB-CG 4.2Å; F594-K692 HydrophobicContact CD1-CD 4.44Å; F594-K692 HydrophobicContact CD1-CG 4.11Å; F594-K692 HydrophobicContact CD2-CG 3.87Å; F594-K692 HydrophobicContact CE1-CG 4.44Å; F594-K692 HydrophobicContact CE2-CG 4.21Å; F594-K692 HydrophobicContact CG-CG 3.8Å; F594-K692 HydrophobicContact CZ-CG 4.48Å; L595-K692 WeakPolarHBondContact CD1-O 3.32Å; E613-K692 IonicContact OE1-NZ 3.11Å; E613-K692 WeakPolarHBondContact OE2-CE 3.49Å; E613-K692 IonicContact OE2-NZ 2.77Å; E613-K692 PolarHBondContact OE2-NZ 3.46Å
693	A	97.6	Very high	97.1	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.033	11%	0.105	C	C	.	.	S	Bend	trans	-132.3	145.7	177.5	0	0	0	0	0	111.5	S691 L831 L832 L847	S691-A693 VanDerWaalsContact C-N 3.29Å; S691-A693 PolarHBondContact OG-N 3.49Å; S691-A693 PolarHBondContact OG-O 3.4Å; A693-L831 HydrophobicContact CB-CB 4.24Å; A693-L832 CarbonylContact C-O 3.59Å; A693-L832 WeakPolarHBondContact CA-O 3.36Å; A693-L832 WeakPolarHBondContact CB-O 3.44Å; A693-L847 HydrophobicContact CB-CD1 4.43Å; A693-L847 HydrophobicContact CB-CD2 3.77Å
694	V	98.4	Very high	97.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.4	168.7	-173.3	0	0	0	0	108.2	L595 V597 L609 V685 L687 L696 L831 L832	L595-V694 HydrophobicContact CD1-CG2 3.8Å; V597-V694 HydrophobicContact CG2-CB 4.5Å; V597-V694 HydrophobicContact CG2-CG1 4.14Å; V597-V694 HydrophobicContact CG2-CG2 3.51Å; L609-V694 HydrophobicContact CD1-CG2 3.77Å; V685-V694 HydrophobicContact CG1-CG1 3.82Å; L687-V694 HydrophobicContact CD1-CG2 4.45Å; V694-L696 HydrophobicContact CG1-CD2 4.22Å; V694-L831 CarbonylContact O-C 3.59Å; V694-L831 WeakPolarHBondContact O-CA 3.4Å; V694-L832 HydrophobicContact CB-CB 4.27Å; V694-L832 PolarHBondContact N-O 3.4Å; V694-L832 PolarHBondContact O-N 3.19Å
695	E	98.6	Very high	97	Very high	15 Å²	15	21.5 Å²	21.5	7%	0.07	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	173.3	178.1	-178.7	114.2	0	0	110.3	V685 R686 R829 L831	V685-E695 CarbonylContact C-O 3.48Å; V685-E695 WeakPolarHBondContact CA-O 3.5Å; R686-E695 HydrophobicContact CB-CB 4.21Å; R686-E695 IonicContact CZ-OE1 3.63Å; R686-E695 PolarHBondContact N-O 2.74Å; R686-E695 IonicContact NH1-OE1 3.78Å; R686-E695 PolarHBondContact NH1-OE1 3.37Å; R686-E695 PolarHBondContact O-N 3.11Å; E695-R829 HydrophobicContact CG-CB 4.29Å; E695-L831 HydrophobicContact CB-CD2 3.59Å; E695-L831 HydrophobicContact CG-CD2 3.72Å
696	L	98.6	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	93.8	168.1	-54.6	-175.1	0	0	0	108.6	Q622 V685 V694 L717 R829 L830 L832	Q622-L696 HydrophobicContact CG-CD1 4.06Å; V685-L696 HydrophobicContact CB-CD2 4.29Å; V685-L696 HydrophobicContact CG1-CD2 3.98Å; V685-L696 HydrophobicContact CG2-CD2 3.94Å; V694-L696 HydrophobicContact CG1-CD2 4.22Å; L696-L717 HydrophobicContact CD1-CD2 4.28Å; L696-R829 CarbonylContact O-C 3.54Å; L696-R829 WeakPolarHBondContact O-CA 3.29Å; L696-L830 HydrophobicContact CB-CB 4.34Å; L696-L830 PolarHBondContact N-O 3.12Å; L696-L830 PolarHBondContact O-N 2.87Å; L696-L832 HydrophobicContact CD1-CD1 3.69Å; L696-L832 HydrophobicContact CD1-CD2 4.47Å; L696-L832 HydrophobicContact CD1-CG 4.12Å; L696-L832 HydrophobicContact CG-CD1 4.13Å; L696-L832 HydrophobicContact CG-CG 4.29Å
697	E	98.4	Very high	96.8	Very high	29 Å²	29	30.3 Å²	30.3	14%	0.136	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116	172.2	-178.7	-175.5	90	0	0	109.3	Q683 V684 R686 R827 G828	Q683-E697 CarbonylContact C-O 3.56Å; Q683-E697 WeakPolarHBondContact CA-O 3.46Å; V684-E697 HydrophobicContact CB-CB 4.46Å; V684-E697 PolarHBondContact N-O 3.5Å; V684-E697 PolarHBondContact O-N 2.8Å; R686-E697 IonicContact CZ-OE1 3.17Å; R686-E697 IonicContact CZ-OE2 2.76Å; R686-E697 IonicContact NH1-OE1 2.78Å; R686-E697 PolarHBondContact NH1-OE1 3.29Å; R686-E697 IonicContact NH1-OE2 3.67Å; R686-E697 PolarHBondContact NH1-OE2 3.23Å; R686-E697 VanDerWaalsContact NH2-CD 3.33Å; R686-E697 IonicContact NH2-OE1 3.93Å; R686-E697 PolarHBondContact NH2-OE1 3.15Å; R686-E697 IonicContact NH2-OE2 3.7Å; R686-E697 PolarHBondContact NH2-OE2 3.47Å; E697-R827 HydrophobicContact CG-CG 4.13Å; E697-G828 CarbonylContact C-O 3.5Å; E697-G828 VanDerWaalsContact CA-O 3.29Å; E697-G828 WeakPolarHBondContact CA-O 3.43Å
698	W	98.3	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.1	179.9	51.3	-95.8	0	0	0	110.8	F624 V700 L797 V826 R827 G828	F624-W698 HydrophobicContact CE1-CB 4.12Å; F624-W698 HydrophobicContact CZ-CB 4.09Å; W698-V700 HydrophobicContact CE3-CB 4.4Å; W698-V700 HydrophobicContact CE3-CG2 4.01Å; W698-L797 HydrophobicContact CB-CD1 4.16Å; W698-L797 HydrophobicContact CD2-CB 4.41Å; W698-L797 HydrophobicContact CD2-CD1 3.88Å; W698-L797 HydrophobicContact CD2-CD2 4.22Å; W698-L797 HydrophobicContact CD2-CG 4.41Å; W698-L797 HydrophobicContact CE3-CB 4.29Å; W698-L797 HydrophobicContact CE3-CD1 4.27Å; W698-L797 HydrophobicContact CG-CD1 3.81Å; W698-L797 HydrophobicContact CG-CD2 4.48Å; W698-L797 HydrophobicContact CH2-CB 4.25Å; W698-L797 HydrophobicContact CZ2-CB 4.39Å; W698-L797 HydrophobicContact CZ2-CD2 4.05Å; W698-L797 HydrophobicContact CZ3-CB 4.21Å; W698-V826 HydrophobicContact CH2-CG1 3.74Å; W698-V826 HydrophobicContact CZ3-CB 4.04Å; W698-V826 HydrophobicContact CZ3-CG1 3.71Å; W698-V826 WeakPolarHBondContact CZ3-O 3.29Å; W698-R827 VanDerWaalsContact O-CA 3.25Å; W698-R827 WeakPolarHBondContact O-CA 3.4Å; W698-G828 PolarHBondContact N-O 3.48Å; W698-G828 PolarHBondContact O-N 3.18Å
699	T	98.5	Very high	96.6	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.7	169.3	-57	0	0	0	0	108.2	V543 S682 V825 V826 R827	V543-T699 HydrophobicContact CG2-CG2 3.83Å; S682-T699 PolarHBondContact N-O 3.2Å; S682-T699 PolarHBondContact O-N 3.46Å; T699-V825 HydrophobicContact CG2-CG1 3.72Å; T699-V826 WeakPolarHBondContact CA-O 3.34Å; T699-R827 PolarHBondContact OG1-NE 2.93Å; T699-R827 PolarHBondContact OG1-NH2 2.94Å; T699-R827 VanDerWaalsContact OG1-NH2 3.16Å
700	V	98.6	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	-176.3	177.8	0	0	0	0	109.7	W680 W698 V703 V713 L797 H798 V826	W680-V700 HydrophobicContact CE3-CG1 4.37Å; W680-V700 HydrophobicContact CZ3-CG1 4.25Å; W680-V700 WeakPolarHBondContact O-CA 3.16Å; W698-V700 HydrophobicContact CE3-CB 4.4Å; W698-V700 HydrophobicContact CE3-CG2 4.01Å; V700-V703 HydrophobicContact CG1-CG2 4.07Å; V700-V713 HydrophobicContact CG1-CB 4.03Å; V700-V713 HydrophobicContact CG1-CG1 3.88Å; V700-V713 HydrophobicContact CG1-CG2 3.94Å; V700-V713 HydrophobicContact CG2-CG1 4.33Å; V700-L797 HydrophobicContact CG2-CD1 4.22Å; V700-H798 HydrophobicContact CB-CB 4.31Å; V700-H798 HydrophobicContact CG1-CB 3.83Å; V700-V826 PolarHBondContact N-O 2.87Å; V700-V826 PolarHBondContact O-N 2.9Å
701	G	97	Very high	97.2	Very high	7 Å²	7	35.9 Å²	35.9	7%	0.072	20%	0.199	C	C	.	.			trans	124.7	166.9	173.8	0	0	0	0	0	113.4	W680	W680-G701 PolarHBondContact O-N 2.96Å
702	P	97.6	Very high	97.4	Very high	42 Å²	42	34.4 Å²	34.4	27%	0.273	19%	0.189	S	C	.	.	S	Bend	cis	-65.3	127.1	-2.7	-22.4	35	0	0	0	111.3	W680 P704 D822 G823 V825	W680-P702 WeakPolarHBondContact CB-O 3.42Å; P702-P704 WeakPolarHBondContact O-CD 3.44Å; P702-D822 HydrophobicContact CB-CB 4.27Å; P702-D822 HydrophobicContact CG-CB 4.44Å; P702-G823 VanDerWaalsContact CB-O 3.29Å; P702-G823 WeakPolarHBondContact CB-O 3.48Å; P702-G823 WeakPolarHBondContact CG-O 3.41Å; P702-V825 HydrophobicContact CG-CG2 3.91Å
703	V	98.3	Very high	97.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-69.9	118.3	-177.1	178.2	0	0	0	0	108	W680 V700 K711 V713 R800	W680-V703 HydrophobicContact CE3-CG2 4.44Å; W680-V703 HydrophobicContact CZ3-CG2 4.46Å; V700-V703 HydrophobicContact CG1-CG2 4.07Å; V703-K711 HydrophobicContact CG1-CB 3.67Å; V703-K711 HydrophobicContact CG1-CD 4.29Å; V703-K711 HydrophobicContact CG1-CG 4.43Å; V703-V713 HydrophobicContact CG1-CG2 4.27Å; V703-V713 HydrophobicContact CG2-CG2 4.11Å; V703-R800 HydrophobicContact CB-CB 3.93Å; V703-R800 HydrophobicContact CG1-CB 4.09Å; V703-R800 VanDerWaalsContact O-CD 3.28Å; V703-R800 WeakPolarHBondContact O-CD 3.44Å; V703-R800 PolarHBondContact O-NH1 2.79Å
704	P	97.3	Very high	97.6	Very high	42 Å²	42	29.5 Å²	29.5	27%	0.273	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-71.6	136.7	-170.6	28	-34.8	0	0	0	111.4	W680 P702 K711	W680-P704 HydrophobicContact CD2-CG 4.21Å; W680-P704 HydrophobicContact CG-CG 4.43Å; W680-P704 HydrophobicContact CZ2-CG 4.3Å; P702-P704 WeakPolarHBondContact O-CD 3.44Å; P704-K711 HydrophobicContact CG-CD 4.49Å; P704-K711 WeakPolarHBondContact O-CD 3.38Å; P704-K711 WeakPolarHBondContact O-CE 3.28Å; P704-K711 PolarHBondContact O-NZ 3.39Å
705	V	96.4	Very high	97.6	Very high	27 Å²	27	29.6 Å²	29.6	16%	0.164	17%	0.167	C	C	.	.			trans	-134	14.9	179.2	-64.3	0	0	0	0	112.6	D707 E708 R800 L802	V705-D707 PolarHBondContact O-N 3.44Å; V705-E708 PolarHBondContact O-N 3.44Å; V705-R800 HydrophobicContact CG1-CG 4.11Å; V705-L802 HydrophobicContact CB-CD1 4.21Å; V705-L802 HydrophobicContact CB-CD2 3.96Å; V705-L802 HydrophobicContact CB-CG 4.45Å; V705-L802 HydrophobicContact CG1-CD2 4.1Å; V705-L802 HydrophobicContact CG1-CG 4.48Å; V705-L802 HydrophobicContact CG2-CD2 4.09Å
706	S	95.5	Very high	97.6	Very high	121 Å²	121	30.2 Å²	30.2	85%	0.846	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.9	178	57.2	0	0	0	0	113.5	E708	S706-E708 VanDerWaalsContact C-N 3.29Å
707	D	95.2	Very high	97.7	Very high	71 Å²	71	30.3 Å²	30.3	38%	0.38	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.4	172.8	62	-14.2	0	0	0	112.7	V705 Q709 K711	V705-D707 PolarHBondContact O-N 3.44Å; D707-Q709 PolarHBondContact O-N 3.21Å; D707-Q709 VanDerWaalsContact O-N 3.11Å; D707-Q709 PolarHBondContact OD1-N 2.9Å; D707-K711 IonicContact OD1-NZ 3.61Å; D707-K711 PolarHBondContact OD1-NZ 3.36Å; D707-K711 WeakPolarHBondContact OD2-CE 3.29Å; D707-K711 IonicContact OD2-NZ 3.43Å; D707-K711 PolarHBondContact OD2-NZ 3.43Å
708	E	95.1	Very high	97.7	Very high	167 Å²	167	31.5 Å²	31.5	78%	0.78	18%	0.177	S	C	*	.	S	Bend	trans	58.1	22.9	-179.6	-57	179.4	-178.3	0	0	113.7	V705 S706 L802	V705-E708 PolarHBondContact O-N 3.44Å; S706-E708 VanDerWaalsContact C-N 3.29Å; E708-L802 WeakPolarHBondContact O-CD1 3.35Å
709	Q	95.4	Very high	97.7	Very high	76 Å²	76	32.5 Å²	32.5	36%	0.355	18%	0.183	S	C	.	.			trans	-118.3	121.8	178.7	-71.1	178.6	92.5	0	0	111.3	N628 D707 K711	N628-Q709 PolarHBondContact ND2-OE1 2.81Å; D707-Q709 PolarHBondContact O-N 3.21Å; D707-Q709 VanDerWaalsContact O-N 3.11Å; D707-Q709 PolarHBondContact OD1-N 2.9Å; Q709-K711 PolarHBondContact O-NZ 3.12Å
710	G	97.6	Very high	97.7	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	20%	0.195	C	C	.	.			trans	-63.4	144.9	168.8	0	0	0	0	0	111.5	N628 G629 R800	N628-G710 WeakPolarHBondContact CA-O 3.48Å; G629-G710 PolarHBondContact N-O 2.62Å; G710-R800 CarbonylContact C-O 3.55Å; G710-R800 WeakPolarHBondContact CA-O 3.44Å
711	K	98.7	Very high	97.7	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.1	-175.2	-59.8	-178.8	179.9	60.8	0	111.6	W626 Y627 V703 P704 D707 Q709 R800	W626-K711 HydrophobicContact CB-CB 4.41Å; W626-K711 HydrophobicContact CD2-CD 4.42Å; W626-K711 HydrophobicContact CG-CB 4.18Å; W626-K711 HydrophobicContact CG-CD 4.25Å; W626-K711 HydrophobicContact CG-CG 4.28Å; Y627-K711 WeakPolarHBondContact O-CA 3.29Å; V703-K711 HydrophobicContact CG1-CB 3.67Å; V703-K711 HydrophobicContact CG1-CD 4.29Å; V703-K711 HydrophobicContact CG1-CG 4.43Å; P704-K711 HydrophobicContact CG-CD 4.49Å; P704-K711 WeakPolarHBondContact O-CD 3.38Å; P704-K711 WeakPolarHBondContact O-CE 3.28Å; P704-K711 PolarHBondContact O-NZ 3.39Å; D707-K711 IonicContact OD1-NZ 3.61Å; D707-K711 PolarHBondContact OD1-NZ 3.36Å; D707-K711 WeakPolarHBondContact OD2-CE 3.29Å; D707-K711 IonicContact OD2-NZ 3.43Å; D707-K711 PolarHBondContact OD2-NZ 3.43Å; Q709-K711 PolarHBondContact O-NZ 3.12Å; K711-R800 PolarHBondContact N-O 3.2Å; K711-R800 PolarHBondContact O-N 3.49Å
712	E	98.8	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	99.5	-179.1	-56.1	-174.8	-130.2	0	0	107.9	W626 Y627 S641 F646 M796 R799 L801	W626-E712 CarbonylContact C-O 3.57Å; W626-E712 WeakPolarHBondContact CA-O 3.39Å; W626-E712 WeakPolarHBondContact CB-O 3.36Å; Y627-E712 PolarHBondContact N-O 3.24Å; Y627-E712 PolarHBondContact O-N 3.46Å; S641-E712 WeakPolarHBondContact CB-OE1 3.39Å; S641-E712 PolarHBondContact OG-OE1 3.33Å; F646-E712 VanDerWaalsContact CD2-CD 3.41Å; F646-E712 WeakPolarHBondContact CD2-OE1 3.2Å; F646-E712 WeakPolarHBondContact CD2-OE2 3.39Å; F646-E712 WeakPolarHBondContact CE2-OE2 3.12Å; E712-M796 HydrophobicContact CB-CE 4.02Å; E712-M796 HydrophobicContact CB-SD 4.23Å; E712-R799 HydrophobicContact CB-CG 4.31Å; E712-R799 HydrophobicContact CG-CB 4.43Å; E712-R799 HydrophobicContact CG-CG 4.23Å; E712-R799 IonicContact OE1-NH2 3.91Å; E712-R799 IonicContact OE2-CZ 2.7Å; E712-R799 IonicContact OE2-NE 3.35Å; E712-R799 PolarHBondContact OE2-NE 3.31Å; E712-R799 IonicContact OE2-NH2 3.68Å; E712-R799 PolarHBondContact OE2-NH2 2.8Å; E712-L801 HydrophobicContact CG-CD2 3.93Å
713	V	98.9	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129	-166	-171.4	0	0	0	0	109.6	Y625 W626 W680 V700 V703 L797 H798	Y625-V713 CarbonylContact O-C 3.45Å; Y625-V713 WeakPolarHBondContact O-CA 3.37Å; W626-V713 HydrophobicContact CB-CG2 4.36Å; W680-V713 HydrophobicContact CH2-CG2 4.2Å; W680-V713 HydrophobicContact CZ3-CG1 4.27Å; W680-V713 HydrophobicContact CZ3-CG2 3.7Å; V700-V713 HydrophobicContact CG1-CB 4.03Å; V700-V713 HydrophobicContact CG1-CG1 3.88Å; V700-V713 HydrophobicContact CG1-CG2 3.94Å; V700-V713 HydrophobicContact CG2-CG1 4.33Å; V703-V713 HydrophobicContact CG1-CG2 4.27Å; V703-V713 HydrophobicContact CG2-CG2 4.11Å; V713-L797 PolarHBondContact O-N 3.11Å; V713-H798 PolarHBondContact N-O 3.42Å; V713-H798 PolarHBondContact O-N 2.96Å
714	I	98.9	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.2	179.1	72.5	176.6	0	0	0	110.4	F624 Y625 Y627 P653 E794 I795 M796	F624-I714 WeakPolarHBondContact CA-O 3.34Å; Y625-I714 PolarHBondContact N-O 3.25Å; Y625-I714 PolarHBondContact O-N 3.07Å; Y625-I714 VanDerWaalsContact O-O 3.13Å; Y627-I714 HydrophobicContact CD2-CD1 4.37Å; Y627-I714 HydrophobicContact CD2-CG2 4.17Å; Y627-I714 HydrophobicContact CE2-CD1 3.74Å; Y627-I714 HydrophobicContact CE2-CG2 4.28Å; P653-I714 HydrophobicContact CB-CD1 4.44Å; P653-I714 HydrophobicContact CG-CD1 4.39Å; I714-E794 HydrophobicContact CD1-CB 4.16Å; I714-E794 WeakPolarHBondContact CD1-OE2 3.29Å; I714-I795 CarbonylContact C-O 3.52Å; I714-I795 VanDerWaalsContact CA-O 3.31Å; I714-I795 WeakPolarHBondContact CA-O 3.4Å; I714-M796 HydrophobicContact CG2-CB 4.04Å; I714-M796 HydrophobicContact CG2-CG 4.14Å
715	T	98.9	Very high	97.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.5	154.6	-176.6	0	0	0	0	109.3	Q622 N623 E794 I795 L797 L830	Q622-T715 PolarHBondContact NE2-OG1 2.62Å; N623-T715 WeakPolarHBondContact O-CA 3.5Å; N623-T715 PolarHBondContact O-OG1 3.08Å; T715-E794 CarbonylContact O-C 3.56Å; T715-E794 VanDerWaalsContact O-CA 3.27Å; T715-E794 WeakPolarHBondContact O-CA 3.49Å; T715-I795 HydrophobicContact CG2-CB 4.26Å; T715-I795 PolarHBondContact N-O 2.77Å; T715-I795 PolarHBondContact O-N 2.77Å; T715-L797 HydrophobicContact CG2-CD1 3.98Å; T715-L797 HydrophobicContact CG2-CD2 3.87Å; T715-L797 HydrophobicContact CG2-CG 4.1Å; T715-L830 HydrophobicContact CG2-CD1 3.57Å
716	R	98.7	Very high	97.6	Very high	28 Å²	28	45.2 Å²	45.2	11%	0.106	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.3	177.4	-176.5	-179.6	-69.1	173.6	-5.7	110.2	Q622 N623 Y625 Y627 P653 E794	Q622-R716 WeakPolarHBondContact CA-O 3.36Å; N623-R716 PolarHBondContact N-O 3.1Å; N623-R716 VanDerWaalsContact N-O 3.14Å; N623-R716 PolarHBondContact O-N 2.9Å; Y625-R716 HydrophobicContact CD2-CB 3.93Å; Y625-R716 HydrophobicContact CE2-CB 3.86Å; Y627-R716 PolarHBondContact OH-NH2 2.72Å; P653-R716 VanDerWaalsContact CG-NH2 3.33Å; R716-E794 HydrophobicContact CB-CB 4.16Å; R716-E794 HydrophobicContact CG-CB 4.23Å; R716-E794 IonicContact CZ-OE2 2.63Å; R716-E794 VanDerWaalsContact CZ-OE2 3.23Å; R716-E794 IonicContact NE-OE2 2.66Å; R716-E794 PolarHBondContact NE-OE2 2.93Å; R716-E794 IonicContact NH2-OE2 2.81Å; R716-E794 PolarHBondContact NH2-OE2 3Å
717	L	98.7	Very high	97.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.5	174.1	-55.9	172.3	0	0	0	107.7	L620 S621 Q622 L696 L775 V777 S792 L793 L832	L620-L717 HydrophobicContact CD1-CB 4.1Å; L620-L717 HydrophobicContact CD1-CD2 4.27Å; S621-L717 CarbonylContact O-C 3.41Å; S621-L717 WeakPolarHBondContact O-CA 3.36Å; Q622-L717 HydrophobicContact CB-CD2 3.73Å; Q622-L717 HydrophobicContact CG-CD2 3.48Å; Q622-L717 VanDerWaalsContact CG-CD2 3.48Å; L696-L717 HydrophobicContact CD1-CD2 4.28Å; L717-L775 HydrophobicContact CD1-CD2 4.38Å; L717-V777 HydrophobicContact CD1-CG2 3.51Å; L717-S792 CarbonylContact O-C 3.56Å; L717-S792 WeakPolarHBondContact O-CA 3.37Å; L717-L793 PolarHBondContact N-O 3.1Å; L717-L793 PolarHBondContact O-N 2.75Å; L717-L832 HydrophobicContact CD1-CD2 3.82Å; L717-L832 HydrophobicContact CD2-CD1 4.28Å
718	D	98.4	Very high	97.9	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.9	176.4	-67.5	-54.7	0	0	0	109.7	L620 S621 S792	L620-D718 CarbonylContact C-O 3.47Å; L620-D718 WeakPolarHBondContact CA-O 3.5Å; S621-D718 PolarHBondContact N-O 3.38Å; S621-D718 PolarHBondContact O-N 2.62Å; D718-S792 WeakPolarHBondContact OD1-CB 3.37Å
719	T	98.5	Very high	98	Very high	23 Å²	23	29.3 Å²	29.3	14%	0.141	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	167.9	-171	77.4	0	0	0	0	113.8	I618 K619 L620 I721 I768 L775 G791	I618-T719 HydrophobicContact CD1-CG2 4.32Å; K619-T719 WeakPolarHBondContact O-CA 3.47Å; L620-T719 HydrophobicContact CD1-CG2 3.8Å; T719-I721 VanDerWaalsContact C-N 3.29Å; T719-I721 WeakPolarHBondContact OG1-CB 3.38Å; T719-I721 PolarHBondContact OG1-N 2.98Å; T719-I721 VanDerWaalsContact OG1-N 3.16Å; T719-I768 HydrophobicContact CG2-CD1 3.94Å; T719-L775 HydrophobicContact CG2-CD2 3.62Å; T719-G791 WeakPolarHBondContact CB-O 3.17Å; T719-G791 PolarHBondContact N-O 3.42Å; T719-G791 PolarHBondContact OG1-O 3.22Å
720	S	98.2	Very high	98.2	Very high	42 Å²	42	25.7 Å²	25.7	29%	0.294	14%	0.139	S	C	.	.	S	Bend	trans	-77.8	-8.2	168.8	48	0	0	0	0	114.7	K619 K722	K619-S720 PolarHBondContact N-OG 3.29Å; K619-S720 PolarHBondContact O-N 2.63Å; S720-K722 WeakPolarHBondContact O-CE 3.27Å
721	I	98.6	Very high	98.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.137	C	C	.	.			trans	-64.4	135.3	-173.9	-59.4	178	0	0	0	110.7	I618 T719 T723 I768 D770 D773 L775 G791	I618-I721 HydrophobicContact CD1-CD1 4.18Å; I618-I721 HydrophobicContact CG2-CG1 4.22Å; T719-I721 VanDerWaalsContact C-N 3.29Å; T719-I721 WeakPolarHBondContact OG1-CB 3.38Å; T719-I721 PolarHBondContact OG1-N 2.98Å; T719-I721 VanDerWaalsContact OG1-N 3.16Å; I721-T723 HydrophobicContact CB-CG2 4.43Å; I721-T723 HydrophobicContact CG2-CG2 3.9Å; I721-T723 PolarHBondContact O-N 3.3Å; I721-I768 HydrophobicContact CD1-CG1 4.42Å; I721-D770 WeakPolarHBondContact CA-OD2 3.33Å; I721-D770 HydrophobicContact CG2-CB 3.99Å; I721-D773 HydrophobicContact CD1-CB 4.17Å; I721-D773 HydrophobicContact CG1-CB 4.07Å; I721-L775 HydrophobicContact CD1-CB 3.71Å; I721-G791 VanDerWaalsContact O-CA 3.26Å; I721-G791 WeakPolarHBondContact O-CA 3.41Å
722	K	97.8	Very high	98.2	Very high	144 Å²	144	25.5 Å²	25.5	63%	0.626	14%	0.137	S	C	*	.			trans	-94.6	79.1	-176.6	-57	-53.4	179.4	-167.4	0	112.1	S720 A724 D770	S720-K722 WeakPolarHBondContact O-CE 3.27Å; K722-A724 VanDerWaalsContact C-N 3.31Å; K722-A724 PolarHBondContact O-N 2.96Å; K722-D770 HydrophobicContact CB-CB 4.24Å; K722-D770 PolarHBondContact N-OD2 3.31Å
723	T	97.1	Very high	98.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	14%	0.139	C	C	.	.			trans	-72.9	-13.4	-168.4	61.8	0	0	0	0	116.5	I721 E725 L726 I768 N790 G791	I721-T723 HydrophobicContact CB-CG2 4.43Å; I721-T723 HydrophobicContact CG2-CG2 3.9Å; I721-T723 PolarHBondContact O-N 3.3Å; T723-E725 PolarHBondContact O-N 3Å; T723-L726 WeakPolarHBondContact CB-O 3.33Å; T723-L726 VanDerWaalsContact O-CB 3.31Å; T723-L726 WeakPolarHBondContact O-CB 3.46Å; T723-L726 PolarHBondContact O-N 3.04Å; T723-I768 HydrophobicContact CG2-CB 3.6Å; T723-I768 HydrophobicContact CG2-CD1 4.21Å; T723-I768 HydrophobicContact CG2-CG1 4.41Å; T723-I768 HydrophobicContact CG2-CG2 4.01Å; T723-N790 PolarHBondContact N-OD1 2.81Å; T723-N790 VanDerWaalsContact N-OD1 3.15Å; T723-N790 PolarHBondContact OG1-OD1 3.38Å; T723-G791 PolarHBondContact OG1-N 3.32Å
724	A	95.8	Very high	98.1	Very high	68 Å²	68	26 Å²	26	56%	0.562	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	38.4	-174.3	0	0	0	0	0	113.4	K722 L726 N790	K722-A724 VanDerWaalsContact C-N 3.31Å; K722-A724 PolarHBondContact O-N 2.96Å; A724-L726 PolarHBondContact O-N 2.78Å; A724-N790 PolarHBondContact N-OD1 2.88Å
725	E	95.7	Very high	98	Very high	96 Å²	96	26.1 Å²	26.1	45%	0.449	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	13.8	-176.7	-48.1	179.3	148.4	0	0	114.8	T723 K741	T723-E725 PolarHBondContact O-N 3Å; E725-K741 HydrophobicContact CB-CB 4.3Å; E725-K741 PolarHBondContact O-N 3.02Å; E725-K741 VanDerWaalsContact O-N 3.15Å
726	L	98.3	Very high	98	Very high	39 Å²	39	26.2 Å²	26.2	20%	0.204	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.7	176.9	-57.8	178.2	0	0	0	111.3	T723 A724 Q738 R739 K740	T723-L726 WeakPolarHBondContact CB-O 3.33Å; T723-L726 VanDerWaalsContact O-CB 3.31Å; T723-L726 WeakPolarHBondContact O-CB 3.46Å; T723-L726 PolarHBondContact O-N 3.04Å; A724-L726 PolarHBondContact O-N 2.78Å; L726-Q738 HydrophobicContact CD2-CG 4.31Å; L726-R739 WeakPolarHBondContact CA-O 3.2Å; L726-K740 HydrophobicContact CD2-CB 3.76Å; L726-K740 HydrophobicContact CD2-CD 4.21Å; L726-K740 HydrophobicContact CD2-CG 3.97Å
727	F	98.7	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	168.1	169.2	66.7	-74.7	0	0	0	109.1	T729 R739 Y760 I768 S787	F727-T729 HydrophobicContact CD2-CG2 3.97Å; F727-T729 HydrophobicContact CE2-CG2 3.91Å; F727-R739 HydrophobicContact CD1-CB 3.74Å; F727-R739 HydrophobicContact CD2-CB 3.96Å; F727-R739 HydrophobicContact CD2-CG 4.15Å; F727-R739 HydrophobicContact CE1-CB 3.44Å; F727-R739 VanDerWaalsContact CE1-CB 3.44Å; F727-R739 HydrophobicContact CE1-CG 4.46Å; F727-R739 HydrophobicContact CE2-CB 3.68Å; F727-R739 HydrophobicContact CE2-CG 3.81Å; F727-R739 HydrophobicContact CG-CB 4Å; F727-R739 HydrophobicContact CZ-CB 3.42Å; F727-R739 VanDerWaalsContact CZ-CB 3.42Å; F727-R739 HydrophobicContact CZ-CG 3.99Å; F727-R739 PolarHBondContact N-O 2.76Å; F727-R739 WeakPolarHBondContact O-CA 3.35Å; F727-R739 WeakPolarHBondContact O-CB 3.45Å; F727-R739 PolarHBondContact O-N 2.94Å; F727-R739 VanDerWaalsContact O-O 3.13Å; F727-Y760 AromaticContact CE2-CD2 3.91Å; F727-Y760 HydrophobicContact CE2-CD2 3.91Å; F727-Y760 AromaticContact CZ-CD2 3.57Å; F727-Y760 HydrophobicContact CZ-CD2 3.57Å; F727-Y760 AromaticContact CZ-CE2 3.78Å; F727-Y760 HydrophobicContact CZ-CE2 3.78Å; F727-I768 HydrophobicContact CB-CG2 3.85Å; F727-S787 VanDerWaalsContact CD1-CB 3.46Å
728	Y	98.7	Very high	97.9	Very high	24 Å²	24	30.8 Å²	30.8	9%	0.094	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.7	-170.2	-60.4	-99.5	0	0	0	109.5	V736 L737 Q738 A766 F767 K769	Y728-V736 HydrophobicContact CD1-CG1 4.22Å; Y728-V736 HydrophobicContact CG-CG1 4.4Å; Y728-L737 WeakPolarHBondContact CA-O 3.21Å; Y728-Q738 HydrophobicContact CD1-CB 3.97Å; Y728-Q738 HydrophobicContact CD1-CG 4.31Å; Y728-Q738 HydrophobicContact CE1-CB 3.7Å; Y728-Q738 HydrophobicContact CE1-CG 3.75Å; Y728-A766 CarbonylContact O-C 3.59Å; Y728-A766 WeakPolarHBondContact O-CA 3.46Å; Y728-A766 VanDerWaalsContact O-CB 3.31Å; Y728-A766 WeakPolarHBondContact O-CB 2.95Å; Y728-F767 VanDerWaalsContact CB-CE2 3.47Å; Y728-F767 VanDerWaalsContact CB-CZ 3.48Å; Y728-F767 AromaticContact CD1-CE2 3.87Å; Y728-F767 HydrophobicContact CD1-CE2 3.87Å; Y728-F767 AromaticContact CD1-CZ 3.93Å; Y728-F767 HydrophobicContact CD1-CZ 3.93Å; Y728-F767 AromaticContact CD2-CD2 3.53Å; Y728-F767 HydrophobicContact CD2-CD2 3.53Å; Y728-F767 AromaticContact CD2-CE2 3.25Å; Y728-F767 HydrophobicContact CD2-CE2 3.25Å; Y728-F767 HydrophobicContact CD2-CZ 4.08Å; Y728-F767 HydrophobicContact CE1-CE2 4.42Å; Y728-F767 HydrophobicContact CE2-CD2 4.37Å; Y728-F767 AromaticContact CE2-CE2 3.92Å; Y728-F767 HydrophobicContact CE2-CE2 3.92Å; Y728-F767 AromaticContact CG-CD2 3.81Å; Y728-F767 HydrophobicContact CG-CD2 3.81Å; Y728-F767 HydrophobicContact CG-CE1 4.37Å; Y728-F767 AromaticContact CG-CE2 3.24Å; Y728-F767 HydrophobicContact CG-CE2 3.24Å; Y728-F767 AromaticContact CG-CZ 3.57Å; Y728-F767 HydrophobicContact CG-CZ 3.57Å; Y728-F767 PolarHBondContact N-O 3.03Å; Y728-F767 PolarHBondContact O-N 2.94Å; Y728-K769 HydrophobicContact CE2-CD 4.37Å; Y728-K769 HydrophobicContact CE2-CG 3.86Å; Y728-K769 WeakPolarHBondContact OH-CE 3.41Å
729	T	98.8	Very high	97.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147	176.5	69.8	0	0	0	0	110	F727 L737 R739 I762 A766	F727-T729 HydrophobicContact CD2-CG2 3.97Å; F727-T729 HydrophobicContact CE2-CG2 3.91Å; T729-L737 PolarHBondContact N-O 3.08Å; T729-L737 VanDerWaalsContact N-O 3.12Å; T729-L737 PolarHBondContact O-N 2.93Å; T729-R739 HydrophobicContact CG2-CG 4.27Å; T729-R739 PolarHBondContact OG1-NE 2.9Å; T729-R739 PolarHBondContact OG1-NH2 3.48Å; T729-I762 HydrophobicContact CG2-CG1 4.15Å; T729-A766 HydrophobicContact CG2-CB 4.18Å
730	D	98.6	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	158.2	173.3	70.4	-108.1	0	0	0	113	G733 E735 N763 S764 R765	D730-G733 VanDerWaalsContact OD2-CA 3.29Å; D730-G733 WeakPolarHBondContact OD2-CA 3.4Å; D730-G733 PolarHBondContact OD2-N 3.2Å; D730-E735 CarbonylContact C-O 3.6Å; D730-E735 VanDerWaalsContact CA-O 3.28Å; D730-E735 WeakPolarHBondContact CA-O 3.3Å; D730-N763 PolarHBondContact OD1-N 3.38Å; D730-N763 WeakPolarHBondContact OD2-CB 3.31Å; D730-N763 PolarHBondContact OD2-N 3.49Å; D730-S764 PolarHBondContact OD1-N 3Å; D730-S764 PolarHBondContact OD1-OG 2.85Å; D730-S764 VanDerWaalsContact OD1-OG 3.11Å; D730-R765 HydrophobicContact CB-CG 4.44Å; D730-R765 PolarHBondContact N-O 3.46Å; D730-R765 PolarHBondContact OD1-N 2.85Å
731	S	98.5	Very high	97.8	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.035	16%	0.16	C	C	.	.	S	Bend	trans	-105.1	108.3	165.6	-160.7	0	0	0	0	108.1	E187 G733 R734 E735	E187-S731 WeakPolarHBondContact CB-OG 3.47Å; E187-S731 PolarHBondContact N-OG 2.89Å; S731-G733 PolarHBondContact O-N 3.49Å; S731-R734 PolarHBondContact O-N 3.23Å; S731-E735 PolarHBondContact N-O 2.86Å
732	N	98.6	Very high	97.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	27	-177.8	-58.2	108.2	0	0	0	115.5	E144 T147 H148 Y149 A185 E187 H188	E144-N732 PolarHBondContact O-ND2 3.18Å; E144-N732 PolarHBondContact O-OD1 3.28Å; T147-N732 WeakPolarHBondContact O-CA 3.37Å; T147-N732 WeakPolarHBondContact O-CB 3.47Å; T147-N732 PolarHBondContact O-ND2 3.19Å; T147-N732 PolarHBondContact OG1-ND2 3.45Å; T147-N732 VanDerWaalsContact OG1-ND2 3.14Å; H148-N732 CarbonylContact C-O 3.26Å; H148-N732 WeakPolarHBondContact CA-O 3.42Å; Y149-N732 WeakPolarHBondContact CD1-O 3.45Å; Y149-N732 PolarHBondContact N-O 3.32Å; A185-N732 WeakPolarHBondContact CB-OD1 3.37Å; E187-N732 HydrophobicContact CB-CB 4.22Å; E187-N732 HydrophobicContact CG-CB 4.15Å; H188-N732 PolarHBondContact ND1-OD1 3.07Å; H188-N732 VanDerWaalsContact ND1-OD1 3.13Å
733	G	97.8	Very high	97.7	Very high	6 Å²	6	32.1 Å²	32.1	6%	0.062	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-6	-179	0	0	0	0	0	115	D730 S731 S764 R765	D730-G733 VanDerWaalsContact OD2-CA 3.29Å; D730-G733 WeakPolarHBondContact OD2-CA 3.4Å; D730-G733 PolarHBondContact OD2-N 3.2Å; S731-G733 PolarHBondContact O-N 3.49Å; G733-S764 WeakPolarHBondContact CA-OG 3.32Å; G733-S764 PolarHBondContact O-OG 3.37Å; G733-R765 PolarHBondContact O-NH1 2.92Å
734	R	96.9	Very high	97.7	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	16%	0.163	C	C	.	.	S	Bend	trans	-107.5	-97	-164.9	-149.6	-172.2	179.8	-148.4	-14.4	113.6	Y149 E187 S731 R765 R845 E901 M977	Y149-R734 HydrophobicContact CD1-CB 3.83Å; Y149-R734 HydrophobicContact CD1-CG 4.12Å; Y149-R734 HydrophobicContact CD2-CG 4.34Å; Y149-R734 HydrophobicContact CE1-CB 4.22Å; Y149-R734 HydrophobicContact CE1-CG 4.18Å; Y149-R734 HydrophobicContact CE2-CG 4.4Å; Y149-R734 HydrophobicContact CG-CB 4.12Å; Y149-R734 HydrophobicContact CG-CG 4.22Å; E187-R734 HydrophobicContact CG-CB 4.22Å; E187-R734 WeakPolarHBondContact OE1-CD 3.46Å; E187-R734 IonicContact OE1-CZ 2.77Å; E187-R734 IonicContact OE1-NE 3.7Å; E187-R734 IonicContact OE1-NH1 3.6Å; E187-R734 PolarHBondContact OE1-NH1 2.63Å; E187-R734 WeakPolarHBondContact OE2-CD 3.47Å; E187-R734 IonicContact OE2-NH1 2.98Å; S731-R734 PolarHBondContact O-N 3.23Å; R734-R765 PolarHBondContact O-NH2 2.9Å; R734-R845 PolarHBondContact O-NH1 2.88Å; R734-R845 PolarHBondContact O-NH2 3.41Å; R734-E901 IonicContact NE-OE2 3.57Å; R734-M977 HydrophobicContact CG-SD 4.35Å; R734-M977 PolarHBondContact NH2-O 3.43Å
735	E	97.3	Very high	97.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	16%	0.162	C	C	.	.	S	Bend	trans	-70.3	157.3	174.7	-72.5	-164.3	163.7	0	0	111.9	R186 S226 D730 S731 Q905 M977	R186-E735 IonicContact CZ-OE2 3.63Å; R186-E735 IonicContact NE-OE2 3.39Å; R186-E735 IonicContact NH2-OE2 3.49Å; R186-E735 PolarHBondContact NH2-OE2 2.91Å; S226-E735 WeakPolarHBondContact CB-OE1 3.39Å; S226-E735 PolarHBondContact OG-OE1 3.26Å; D730-E735 CarbonylContact C-O 3.6Å; D730-E735 VanDerWaalsContact CA-O 3.28Å; D730-E735 WeakPolarHBondContact CA-O 3.3Å; S731-E735 PolarHBondContact N-O 2.86Å; E735-Q905 HydrophobicContact CB-CG 4.46Å; E735-Q905 HydrophobicContact CG-CG 3.93Å; E735-M977 HydrophobicContact CG-CG 3.96Å; E735-M977 HydrophobicContact CG-SD 3.43Å; E735-M977 WeakPolarHBondContact CG-SD 3.29Å; E735-M977 WeakPolarHBondContact OE1-CG 3.05Å
736	V	97.5	Very high	97.4	Very high	5 Å²	5	30 Å²	30	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.8	176.1	179.4	0	0	0	0	109.6	Y728 R765 F767	Y728-V736 HydrophobicContact CD1-CG1 4.22Å; Y728-V736 HydrophobicContact CG-CG1 4.4Å; V736-R765 VanDerWaalsContact CG2-NH2 3.34Å; V736-F767 HydrophobicContact CB-CE1 4.49Å; V736-F767 HydrophobicContact CG1-CE1 3.65Å; V736-F767 HydrophobicContact CG1-CZ 3.86Å; V736-F767 HydrophobicContact CG2-CE1 4.24Å
737	L	97.5	Very high	97.3	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.4	177.8	-73.6	152.8	0	0	0	110.2	R186 D360 Y728 T729	R186-L737 HydrophobicContact CB-CD1 4.45Å; R186-L737 VanDerWaalsContact CZ-CD2 3.42Å; D360-L737 HydrophobicContact CB-CD1 4.38Å; D360-L737 WeakPolarHBondContact OD2-CD1 3.49Å; Y728-L737 WeakPolarHBondContact CA-O 3.21Å; T729-L737 PolarHBondContact N-O 3.08Å; T729-L737 VanDerWaalsContact N-O 3.12Å; T729-L737 PolarHBondContact O-N 2.93Å
738	Q	97.9	Very high	97.2	Very high	118 Å²	118	38.8 Å²	38.8	55%	0.551	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.8	170.3	-177.3	-178.5	-38.7	0	0	109.9	L726 Y728	L726-Q738 HydrophobicContact CD2-CG 4.31Å; Y728-Q738 HydrophobicContact CD1-CB 3.97Å; Y728-Q738 HydrophobicContact CD1-CG 4.31Å; Y728-Q738 HydrophobicContact CE1-CB 3.7Å; Y728-Q738 HydrophobicContact CE1-CG 3.75Å
739	R	98.1	Very high	97.1	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.038	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.3	176.1	-48	-55.2	-177.6	171.6	3.7	109.2	D360 L726 F727 T729 Y760	D360-R739 IonicContact OD1-CZ 3.38Å; D360-R739 IonicContact OD1-NH1 3.53Å; D360-R739 PolarHBondContact OD1-NH1 2.81Å; D360-R739 IonicContact OD2-CZ 2.75Å; D360-R739 VanDerWaalsContact OD2-CZ 3.25Å; D360-R739 IonicContact OD2-NH1 3.42Å; D360-R739 PolarHBondContact OD2-NH1 2.86Å; D360-R739 IonicContact OD2-NH2 2.82Å; D360-R739 PolarHBondContact OD2-NH2 3.25Å; L726-R739 WeakPolarHBondContact CA-O 3.2Å; F727-R739 HydrophobicContact CD1-CB 3.74Å; F727-R739 HydrophobicContact CD2-CB 3.96Å; F727-R739 HydrophobicContact CD2-CG 4.15Å; F727-R739 HydrophobicContact CE1-CB 3.44Å; F727-R739 VanDerWaalsContact CE1-CB 3.44Å; F727-R739 HydrophobicContact CE1-CG 4.46Å; F727-R739 HydrophobicContact CE2-CB 3.68Å; F727-R739 HydrophobicContact CE2-CG 3.81Å; F727-R739 HydrophobicContact CG-CB 4Å; F727-R739 HydrophobicContact CZ-CB 3.42Å; F727-R739 VanDerWaalsContact CZ-CB 3.42Å; F727-R739 HydrophobicContact CZ-CG 3.99Å; F727-R739 PolarHBondContact N-O 2.76Å; F727-R739 WeakPolarHBondContact O-CA 3.35Å; F727-R739 WeakPolarHBondContact O-CB 3.45Å; F727-R739 PolarHBondContact O-N 2.94Å; F727-R739 VanDerWaalsContact O-O 3.13Å; T729-R739 HydrophobicContact CG2-CG 4.27Å; T729-R739 PolarHBondContact OG1-NE 2.9Å; T729-R739 PolarHBondContact OG1-NH2 3.48Å; R739-Y760 HydrophobicContact CB-CD2 4.42Å; R739-Y760 HydrophobicContact CB-CE2 4.21Å; R739-Y760 HydrophobicContact CG-CD1 4.45Å; R739-Y760 HydrophobicContact CG-CD2 4.13Å; R739-Y760 HydrophobicContact CG-CE2 4.28Å; R739-Y760 HydrophobicContact CG-CG 4.21Å; R739-Y760 VanDerWaalsContact CZ-CD1 3.49Å
740	K	97.7	Very high	97	Very high	85 Å²	85	46.7 Å²	46.7	37%	0.37	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.1	173.4	-178.8	174.8	-179.8	177.9	0	109.1	L726 F743	L726-K740 HydrophobicContact CD2-CB 3.76Å; L726-K740 HydrophobicContact CD2-CD 4.21Å; L726-K740 HydrophobicContact CD2-CG 3.97Å; K740-F743 HydrophobicContact CB-CB 3.9Å; K740-F743 HydrophobicContact CB-CD1 4.07Å; K740-F743 HydrophobicContact CB-CG 4.29Å; K740-F743 HydrophobicContact CD-CB 3.97Å; K740-F743 HydrophobicContact CD-CD1 4.31Å; K740-F743 HydrophobicContact CD-CG 4.04Å; K740-F743 HydrophobicContact CG-CB 3.83Å; K740-F743 HydrophobicContact CG-CG 4.36Å; K740-F743 PolarHBondContact O-N 2.8Å
741	K	97.3	Very high	96.9	Very high	52 Å²	52	52.3 Å²	52.3	23%	0.226	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	138.9	177.8	-176.9	-177.4	170.8	-178	0	111.1	E725 F743 N758 I788	E725-K741 HydrophobicContact CB-CB 4.3Å; E725-K741 PolarHBondContact O-N 3.02Å; E725-K741 VanDerWaalsContact O-N 3.15Å; K741-F743 PolarHBondContact O-N 3.09Å; K741-F743 VanDerWaalsContact O-N 3.09Å; K741-N758 WeakPolarHBondContact CA-OD1 3.36Å; K741-I788 WeakPolarHBondContact CD-O 3.48Å; K741-I788 WeakPolarHBondContact CE-O 3.48Å; K741-I788 PolarHBondContact NZ-O 2.6Å
742	D	97.1	Very high	96.7	Very high	48 Å²	48	53.5 Å²	53.5	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	27.8	175.9	-67	-16.9	0	0	0	113.7	K751 N758	D742-K751 HydrophobicContact CB-CD 4.33Å; D742-K751 VanDerWaalsContact CG-CD 3.45Å; D742-K751 WeakPolarHBondContact OD1-CD 3.41Å; D742-K751 VanDerWaalsContact OD2-CD 3.29Å; D742-K751 WeakPolarHBondContact OD2-CD 3.5Å; D742-K751 IonicContact OD2-NZ 3.97Å; D742-K751 PolarHBondContact OD2-NZ 2.76Å; D742-N758 PolarHBondContact N-OD1 3.44Å; D742-N758 PolarHBondContact OD1-ND2 3.06Å
743	F	97.4	Very high	96.6	Very high	98 Å²	98	54.2 Å²	54.2	43%	0.43	26%	0.26	S	S	.	.			trans	-129.4	147.3	-175.6	178.2	-100.2	0	0	0	112.4	K740 K741 P745	K740-F743 HydrophobicContact CB-CB 3.9Å; K740-F743 HydrophobicContact CB-CD1 4.07Å; K740-F743 HydrophobicContact CB-CG 4.29Å; K740-F743 HydrophobicContact CD-CB 3.97Å; K740-F743 HydrophobicContact CD-CD1 4.31Å; K740-F743 HydrophobicContact CD-CG 4.04Å; K740-F743 HydrophobicContact CG-CB 3.83Å; K740-F743 HydrophobicContact CG-CG 4.36Å; K740-F743 PolarHBondContact O-N 2.8Å; K741-F743 PolarHBondContact O-N 3.09Å; K741-F743 VanDerWaalsContact O-N 3.09Å; F743-P745 HydrophobicContact CE1-CB 3.98Å; F743-P745 HydrophobicContact CZ-CB 4.31Å
744	R	97.1	Very high	96.5	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.038	27%	0.267	C	S	.	.			trans	-136.7	130.8	171.6	-63.8	-68.8	-171.9	-80.2	-3.7	108.1	P363 T746 W747 L749 G757	P363-R744 VanDerWaalsContact CG-NH2 3.27Å; R744-T746 VanDerWaalsContact C-N 3.31Å; R744-T746 PolarHBondContact O-N 3.46Å; R744-W747 HydrophobicContact CB-CD2 3.77Å; R744-W747 HydrophobicContact CB-CE3 3.86Å; R744-W747 HydrophobicContact CB-CG 4.46Å; R744-W747 HydrophobicContact CB-CH2 4Å; R744-W747 HydrophobicContact CB-CZ2 3.93Å; R744-W747 HydrophobicContact CB-CZ3 3.95Å; R744-W747 HydrophobicContact CG-CD2 4.13Å; R744-W747 HydrophobicContact CG-CE3 4.37Å; R744-W747 HydrophobicContact CG-CH2 3.64Å; R744-W747 HydrophobicContact CG-CZ2 3.36Å; R744-W747 HydrophobicContact CG-CZ3 4.13Å; R744-W747 VanDerWaalsContact O-O 3.1Å; R744-L749 HydrophobicContact CG-CB 4.1Å; R744-L749 HydrophobicContact CG-CD1 4.24Å; R744-L749 HydrophobicContact CG-CD2 4.37Å; R744-L749 HydrophobicContact CG-CG 4.47Å; R744-G757 PolarHBondContact NH1-O 3.43Å; R744-G757 PolarHBondContact NH2-O 3Å
745	P	93.6	Very high	96.5	Very high	82 Å²	82	55.6 Å²	55.6	53%	0.532	27%	0.268	S	S	.	.	S	Bend	trans	-74.8	-22.7	-176.5	28.9	-34.5	0	0	0	113	D359 F743	D359-P745 HydrophobicContact CB-CG 4.32Å; D359-P745 WeakPolarHBondContact OD2-CG 3.22Å; F743-P745 HydrophobicContact CE1-CB 3.98Å; F743-P745 HydrophobicContact CZ-CB 4.31Å
746	T	93	Very high	96.6	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	27%	0.267	C	S	.	.	S	Bend	trans	-93.5	-29.9	-173.8	-60	0	0	0	0	113.6	D209 R212 R744	D209-T746 VanDerWaalsContact OD1-CG2 3.23Å; D209-T746 WeakPolarHBondContact OD1-CG2 3.46Å; R212-T746 PolarHBondContact NE-O 3.04Å; R744-T746 VanDerWaalsContact C-N 3.31Å; R744-T746 PolarHBondContact O-N 3.46Å
747	W	95.6	Very high	96.6	Very high	32 Å²	32	55.4 Å²	55.4	12%	0.121	27%	0.267	C	S	.	.	S	Bend	trans	-142.1	164.3	-178.6	73.6	100.9	0	0	0	112.2	D206 D209 R212 R744 L749	D206-W747 HydrophobicContact CB-CH2 3.95Å; D206-W747 HydrophobicContact CB-CZ2 3.98Å; D206-W747 VanDerWaalsContact CG-CZ2 3.48Å; D206-W747 WeakPolarHBondContact OD1-CZ2 3.18Å; D209-W747 HydrophobicContact CB-CD2 4.04Å; D209-W747 HydrophobicContact CB-CE3 3.55Å; D209-W747 HydrophobicContact CB-CH2 4Å; D209-W747 HydrophobicContact CB-CZ2 4.4Å; D209-W747 HydrophobicContact CB-CZ3 3.57Å; R212-W747 HydrophobicContact CB-CB 4.46Å; R212-W747 HydrophobicContact CG-CB 4.38Å; R744-W747 HydrophobicContact CB-CD2 3.77Å; R744-W747 HydrophobicContact CB-CE3 3.86Å; R744-W747 HydrophobicContact CB-CG 4.46Å; R744-W747 HydrophobicContact CB-CH2 4Å; R744-W747 HydrophobicContact CB-CZ2 3.93Å; R744-W747 HydrophobicContact CB-CZ3 3.95Å; R744-W747 HydrophobicContact CG-CD2 4.13Å; R744-W747 HydrophobicContact CG-CE3 4.37Å; R744-W747 HydrophobicContact CG-CH2 3.64Å; R744-W747 HydrophobicContact CG-CZ2 3.36Å; R744-W747 HydrophobicContact CG-CZ3 4.13Å; R744-W747 VanDerWaalsContact O-O 3.1Å; W747-L749 PolarHBondContact O-N 3.18Å
748	Q	96.8	Very high	96.7	Very high	191 Å²	191	55.1 Å²	55.1	89%	0.893	27%	0.266	S	S	*	.			trans	-80	108.9	171.7	-66.2	-174.5	5.7	0	0	109.8	K750	Q748-K750 PolarHBondContact O-N 2.55Å
749	L	96.8	Very high	96.7	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.209	24%	0.239	C	C	.	.			trans	-66.6	116.8	-177.1	-180	65.1	0	0	0	111.6	R744 W747 K751	R744-L749 HydrophobicContact CG-CB 4.1Å; R744-L749 HydrophobicContact CG-CD1 4.24Å; R744-L749 HydrophobicContact CG-CD2 4.37Å; R744-L749 HydrophobicContact CG-CG 4.47Å; W747-L749 PolarHBondContact O-N 3.18Å; L749-K751 PolarHBondContact O-N 2.79Å
750	K	97	Very high	96.8	Very high	150 Å²	150	49.4 Å²	49.4	65%	0.652	24%	0.239	S	C	*	.			trans	-78.5	104.7	160.9	-177	-178.2	177.9	-176.6	0	108.1	Q208 Q748 T752	Q208-K750 PolarHBondContact NE2-O 2.76Å; Q748-K750 PolarHBondContact O-N 2.55Å; K750-T752 PolarHBondContact O-N 3.36Å
751	K	94.7	Very high	96.8	Very high	119 Å²	119	45.6 Å²	45.6	52%	0.517	22%	0.223	S	C	.	.			trans	-71.6	117.7	-177.2	-173.8	168.3	73.6	-170	0	111.8	D742 L749 P754	D742-K751 HydrophobicContact CB-CD 4.33Å; D742-K751 VanDerWaalsContact CG-CD 3.45Å; D742-K751 WeakPolarHBondContact OD1-CD 3.41Å; D742-K751 VanDerWaalsContact OD2-CD 3.29Å; D742-K751 WeakPolarHBondContact OD2-CD 3.5Å; D742-K751 IonicContact OD2-NZ 3.97Å; D742-K751 PolarHBondContact OD2-NZ 2.76Å; L749-K751 PolarHBondContact O-N 2.79Å; K751-P754 HydrophobicContact CD-CB 4.02Å; K751-P754 HydrophobicContact CG-CB 4.4Å
752	T	94.5	Very high	96.9	Very high	30 Å²	30	43.1 Å²	43.1	18%	0.184	21%	0.212	C	C	.	.	S	Bend	trans	-119	-37.4	178.3	48.6	0	0	0	0	111.5	A368 K750	A368-T752 HydrophobicContact CB-CG2 3.8Å; A368-T752 WeakPolarHBondContact O-CB 3.42Å; A368-T752 PolarHBondContact O-OG1 2.69Å; K750-T752 PolarHBondContact O-N 3.36Å
753	E	96.4	Very high	97	Very high	17 Å²	17	41 Å²	41	8%	0.079	20%	0.201	C	C	.	.			trans	-123.3	93.7	177.1	-68.5	-65.8	158.6	0	0	110.4	H369 F371 R647 I755 A756 G757	H369-E753 IonicContact CE1-OE1 3.31Å; H369-E753 IonicContact CG-OE1 3.7Å; H369-E753 IonicContact ND1-OE1 3.27Å; H369-E753 PolarHBondContact ND1-OE1 3.48Å; F371-E753 HydrophobicContact CD2-CB 3.59Å; F371-E753 HydrophobicContact CD2-CG 3.78Å; F371-E753 HydrophobicContact CE2-CB 3.81Å; F371-E753 HydrophobicContact CE2-CG 4.16Å; R647-E753 IonicContact NE-OE1 3.22Å; E753-I755 PolarHBondContact O-N 2.83Å; E753-A756 HydrophobicContact CB-CB 4.14Å; E753-G757 PolarHBondContact O-N 3.34Å; E753-G757 VanDerWaalsContact O-N 3.13Å
754	P	96	Very high	97	Very high	35 Å²	35	36.4 Å²	36.4	23%	0.227	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14	-171.9	28.9	-36.9	0	0	0	114.3	S651 K751 N758	S651-P754 WeakPolarHBondContact OG-CG 3.35Å; K751-P754 HydrophobicContact CD-CB 4.02Å; K751-P754 HydrophobicContact CG-CB 4.4Å; P754-N758 PolarHBondContact O-ND2 3.22Å
755	I	98.3	Very high	97	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-62.3	176	-54.5	-55.8	0	0	0	109.6	Y627 F646 P648 S651 E753 G757 N758 Y759 I788	Y627-I755 HydrophobicContact CE1-CG1 4.2Å; Y627-I755 HydrophobicContact CE1-CG2 4.13Å; Y627-I755 HydrophobicContact CE2-CG2 4.06Å; F646-I755 HydrophobicContact CE1-CG2 3.75Å; F646-I755 HydrophobicContact CZ-CG2 3.84Å; P648-I755 HydrophobicContact CG-CB 3.94Å; P648-I755 HydrophobicContact CG-CG1 4.35Å; P648-I755 HydrophobicContact CG-CG2 4.28Å; S651-I755 WeakPolarHBondContact O-CD1 3.25Å; E753-I755 PolarHBondContact O-N 2.83Å; I755-G757 VanDerWaalsContact C-N 3.27Å; I755-G757 PolarHBondContact O-N 2.9Å; I755-N758 PolarHBondContact O-N 3.2Å; I755-Y759 HydrophobicContact CG2-CD2 4.3Å; I755-Y759 HydrophobicContact CG2-CE2 3.83Å; I755-I788 HydrophobicContact CD1-CD1 4.12Å; I755-I788 HydrophobicContact CD1-CG1 4.31Å; I755-I788 HydrophobicContact CD1-CG2 3.62Å; I755-I788 HydrophobicContact CG2-CD1 4.31Å
756	A	98.3	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-61.2	-33.5	-173	0	0	0	0	0	113.4	F371 T373 F646 E753 N758 Y759	F371-A756 HydrophobicContact CB-CB 3.84Å; F371-A756 HydrophobicContact CG-CB 4.44Å; T373-A756 WeakPolarHBondContact CG2-O 3.33Å; T373-A756 PolarHBondContact OG1-O 3Å; T373-A756 VanDerWaalsContact OG1-O 3.06Å; F646-A756 HydrophobicContact CB-CB 4.33Å; F646-A756 HydrophobicContact CD1-CB 3.8Å; F646-A756 HydrophobicContact CE1-CB 4.38Å; F646-A756 HydrophobicContact CG-CB 4.11Å; F646-A756 WeakPolarHBondContact O-CB 3.29Å; E753-A756 HydrophobicContact CB-CB 4.14Å; A756-N758 PolarHBondContact O-N 2.93Å; A756-Y759 PolarHBondContact O-N 2.6Å
757	G	98.3	Very high	97.6	Very high	3 Å²	3	31 Å²	31	3%	0.031	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-70.9	-3.3	175.2	0	0	0	0	0	115.2	R744 E753 I755	R744-G757 PolarHBondContact NH1-O 3.43Å; R744-G757 PolarHBondContact NH2-O 3Å; E753-G757 PolarHBondContact O-N 3.34Å; E753-G757 VanDerWaalsContact O-N 3.13Å; I755-G757 VanDerWaalsContact C-N 3.27Å; I755-G757 PolarHBondContact O-N 2.9Å
758	N	98.6	Very high	97.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-114.2	1.9	177.5	-70.7	-60.3	0	0	0	113.5	K741 D742 P754 I755 A756 Y760 A786 I788	K741-N758 WeakPolarHBondContact CA-OD1 3.36Å; D742-N758 PolarHBondContact N-OD1 3.44Å; D742-N758 PolarHBondContact OD1-ND2 3.06Å; P754-N758 PolarHBondContact O-ND2 3.22Å; I755-N758 PolarHBondContact O-N 3.2Å; A756-N758 PolarHBondContact O-N 2.93Å; N758-Y760 VanDerWaalsContact O-CD2 3.29Å; N758-Y760 WeakPolarHBondContact O-CD2 3.26Å; N758-A786 WeakPolarHBondContact O-CB 3.34Å; N758-I788 HydrophobicContact CB-CD1 3.98Å
759	Y	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.			trans	-81.3	137	173	-92.3	-112.2	0	0	0	110.7	F646 I755 A756 G785 A786 E794 M796	F646-Y759 HydrophobicContact CD1-CD2 4.22Å; F646-Y759 HydrophobicContact CD1-CG 4.25Å; F646-Y759 HydrophobicContact CE1-CD1 4.48Å; F646-Y759 AromaticContact CE1-CD2 3.78Å; F646-Y759 HydrophobicContact CE1-CD2 3.78Å; F646-Y759 HydrophobicContact CE1-CE1 4.39Å; F646-Y759 AromaticContact CE1-CE2 3.67Å; F646-Y759 HydrophobicContact CE1-CE2 3.67Å; F646-Y759 HydrophobicContact CE1-CG 4.2Å; F646-Y759 AromaticContact CE1-CZ 3.99Å; I755-Y759 HydrophobicContact CG2-CD2 4.3Å; I755-Y759 HydrophobicContact CG2-CE2 3.83Å; A756-Y759 PolarHBondContact O-N 2.6Å; Y759-G785 WeakPolarHBondContact CA-O 3.38Å; Y759-A786 HydrophobicContact CD2-CB 3.63Å; Y759-A786 HydrophobicContact CE2-CB 3.7Å; Y759-A786 HydrophobicContact CG-CB 4.18Å; Y759-E794 VanDerWaalsContact CE2-OE1 3.26Å; Y759-E794 WeakPolarHBondContact CE2-OE1 3.21Å; Y759-E794 VanDerWaalsContact CZ-OE1 3.31Å; Y759-E794 PolarHBondContact OH-OE1 2.96Å; Y759-M796 HydrophobicContact CE1-CB 3.98Å; Y759-M796 HydrophobicContact CE1-CE 3.93Å
760	Y	98.9	Very high	97.8	Very high	9 Å²	9	23 Å²	23	4%	0.035	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.8	176.5	-68.7	-93.7	0	0	0	109.9	F362 F727 R739 N758 G785	F362-Y760 HydrophobicContact CB-CD1 4.15Å; F362-Y760 HydrophobicContact CB-CE1 4.36Å; F362-Y760 WeakPolarHBondContact O-CE1 3.43Å; F727-Y760 AromaticContact CE2-CD2 3.91Å; F727-Y760 HydrophobicContact CE2-CD2 3.91Å; F727-Y760 AromaticContact CZ-CD2 3.57Å; F727-Y760 HydrophobicContact CZ-CD2 3.57Å; F727-Y760 AromaticContact CZ-CE2 3.78Å; F727-Y760 HydrophobicContact CZ-CE2 3.78Å; R739-Y760 HydrophobicContact CB-CD2 4.42Å; R739-Y760 HydrophobicContact CB-CE2 4.21Å; R739-Y760 HydrophobicContact CG-CD1 4.45Å; R739-Y760 HydrophobicContact CG-CD2 4.13Å; R739-Y760 HydrophobicContact CG-CE2 4.28Å; R739-Y760 HydrophobicContact CG-CG 4.21Å; R739-Y760 VanDerWaalsContact CZ-CD1 3.49Å; N758-Y760 VanDerWaalsContact O-CD2 3.29Å; N758-Y760 WeakPolarHBondContact O-CD2 3.26Å; Y760-G785 PolarHBondContact N-O 2.75Å; Y760-G785 PolarHBondContact O-N 2.73Å
761	P	98.8	Very high	97.8	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.032	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	146	174.8	27.7	-32.7	0	0	0	111.8	A145 F362 F376	A145-P761 HydrophobicContact CB-CB 3.95Å; A145-P761 HydrophobicContact CB-CG 4Å; A145-P761 WeakPolarHBondContact O-CB 3.31Å; F362-P761 HydrophobicContact CD2-CG 4.24Å; F362-P761 HydrophobicContact CE2-CG 4.31Å; F376-P761 HydrophobicContact CD1-CB 4.21Å; F376-P761 HydrophobicContact CE1-CB 4.42Å; F376-P761 HydrophobicContact CE1-CG 4.42Å; F376-P761 HydrophobicContact CG-CB 4.31Å; F376-P761 HydrophobicContact CZ-CG 4.44Å
762	I	98.8	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	108.9	174.2	-53.5	171	0	0	0	107.1	T729 A766 T779 S782 Q783 I795	T729-I762 HydrophobicContact CG2-CG1 4.15Å; I762-A766 HydrophobicContact CD1-CB 3.66Å; I762-A766 HydrophobicContact CG1-CB 4.01Å; I762-A766 HydrophobicContact CG2-CB 4.09Å; I762-T779 HydrophobicContact CB-CG2 4.49Å; I762-T779 HydrophobicContact CG2-CG2 3.7Å; I762-S782 CarbonylContact O-C 3.51Å; I762-S782 WeakPolarHBondContact O-CA 3.06Å; I762-Q783 PolarHBondContact N-O 3.45Å; I762-Q783 PolarHBondContact O-N 2.67Å; I762-I795 HydrophobicContact CD1-CG1 4.21Å
763	N	98.5	Very high	98.2	Very high	2 Å²	2	22 Å²	22	1%	0.011	12%	0.119	C	C	.	.	S	Bend	trans	-101.7	-16.9	-177.8	-63.2	-76.6	0	0	0	113.2	A145 T146 T147 D730 S782	A145-N763 PolarHBondContact O-ND2 3.07Å; A145-N763 PolarHBondContact O-OD1 3.36Å; A145-N763 VanDerWaalsContact O-OD1 3.12Å; T146-N763 VanDerWaalsContact CA-OD1 3.24Å; T146-N763 WeakPolarHBondContact CA-OD1 3.46Å; T146-N763 PolarHBondContact O-OD1 2.79Å; T147-N763 PolarHBondContact O-OD1 3.39Å; D730-N763 PolarHBondContact OD1-N 3.38Å; D730-N763 WeakPolarHBondContact OD2-CB 3.31Å; D730-N763 PolarHBondContact OD2-N 3.49Å; N763-S782 WeakPolarHBondContact OD1-CB 3.09Å; N763-S782 PolarHBondContact OD1-OG 2.89Å
764	S	97.9	Very high	98.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	12%	0.117	C	C	.	.	S	Bend	trans	-144.2	-41.9	178.4	70.5	0	0	0	0	113	D730 G733 V778 T779	D730-S764 PolarHBondContact OD1-N 3Å; D730-S764 PolarHBondContact OD1-OG 2.85Å; D730-S764 VanDerWaalsContact OD1-OG 3.11Å; G733-S764 WeakPolarHBondContact CA-OG 3.32Å; G733-S764 PolarHBondContact O-OG 3.37Å; S764-V778 CarbonylContact O-C 3.58Å; S764-V778 VanDerWaalsContact O-CA 3.26Å; S764-V778 WeakPolarHBondContact O-CA 3.07Å; S764-V778 WeakPolarHBondContact O-CG1 3.45Å; S764-T779 PolarHBondContact O-N 2.82Å
765	R	98.4	Very high	98.4	Very high	6 Å²	6	19.8 Å²	19.8	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	149.8	-172.4	67.7	-164.4	177.7	-77.2	-16.8	114.1	D730 G733 R734 V736 T776 V777 V778 H844	D730-R765 HydrophobicContact CB-CG 4.44Å; D730-R765 PolarHBondContact N-O 3.46Å; D730-R765 PolarHBondContact OD1-N 2.85Å; G733-R765 PolarHBondContact O-NH1 2.92Å; R734-R765 PolarHBondContact O-NH2 2.9Å; V736-R765 VanDerWaalsContact CG2-NH2 3.34Å; R765-T776 HydrophobicContact CB-CG2 4.39Å; R765-V777 CarbonylContact C-O 3.57Å; R765-V777 WeakPolarHBondContact CA-O 3.49Å; R765-V777 WeakPolarHBondContact CB-O 3.22Å; R765-V778 HydrophobicContact CB-CG2 4.18Å; R765-H844 VanDerWaalsContact CD-ND1 3.31Å; R765-H844 WeakPolarHBondContact CD-ND1 3.44Å; R765-H844 PolarHBondContact NE-CE1 2.87Å; R765-H844 PolarHBondContact NE-ND1 3.45Å
766	A	98.8	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.5	168.5	0	0	0	0	0	109.9	Y728 T729 I762 V777 L793	Y728-A766 CarbonylContact O-C 3.59Å; Y728-A766 WeakPolarHBondContact O-CA 3.46Å; Y728-A766 VanDerWaalsContact O-CB 3.31Å; Y728-A766 WeakPolarHBondContact O-CB 2.95Å; T729-A766 HydrophobicContact CG2-CB 4.18Å; I762-A766 HydrophobicContact CD1-CB 3.66Å; I762-A766 HydrophobicContact CG1-CB 4.01Å; I762-A766 HydrophobicContact CG2-CB 4.09Å; A766-V777 PolarHBondContact N-O 3Å; A766-V777 PolarHBondContact O-N 3.02Å; A766-L793 HydrophobicContact CB-CD2 4.34Å
767	F	98.8	Very high	98.5	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.022	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.4	177	60.8	-98.4	0	0	0	113.6	Y728 V736 K769 Q774 L775 T776	Y728-F767 VanDerWaalsContact CB-CE2 3.47Å; Y728-F767 VanDerWaalsContact CB-CZ 3.48Å; Y728-F767 AromaticContact CD1-CE2 3.87Å; Y728-F767 HydrophobicContact CD1-CE2 3.87Å; Y728-F767 AromaticContact CD1-CZ 3.93Å; Y728-F767 HydrophobicContact CD1-CZ 3.93Å; Y728-F767 AromaticContact CD2-CD2 3.53Å; Y728-F767 HydrophobicContact CD2-CD2 3.53Å; Y728-F767 AromaticContact CD2-CE2 3.25Å; Y728-F767 HydrophobicContact CD2-CE2 3.25Å; Y728-F767 HydrophobicContact CD2-CZ 4.08Å; Y728-F767 HydrophobicContact CE1-CE2 4.42Å; Y728-F767 HydrophobicContact CE2-CD2 4.37Å; Y728-F767 AromaticContact CE2-CE2 3.92Å; Y728-F767 HydrophobicContact CE2-CE2 3.92Å; Y728-F767 AromaticContact CG-CD2 3.81Å; Y728-F767 HydrophobicContact CG-CD2 3.81Å; Y728-F767 HydrophobicContact CG-CE1 4.37Å; Y728-F767 AromaticContact CG-CE2 3.24Å; Y728-F767 HydrophobicContact CG-CE2 3.24Å; Y728-F767 AromaticContact CG-CZ 3.57Å; Y728-F767 HydrophobicContact CG-CZ 3.57Å; Y728-F767 PolarHBondContact N-O 3.03Å; Y728-F767 PolarHBondContact O-N 2.94Å; V736-F767 HydrophobicContact CB-CE1 4.49Å; V736-F767 HydrophobicContact CG1-CE1 3.65Å; V736-F767 HydrophobicContact CG1-CZ 3.86Å; V736-F767 HydrophobicContact CG2-CE1 4.24Å; F767-K769 HydrophobicContact CD2-CG 4.46Å; F767-K769 HydrophobicContact CE2-CD 4.26Å; F767-K769 HydrophobicContact CE2-CG 4.39Å; F767-Q774 HydrophobicContact CB-CG 4.13Å; F767-Q774 HydrophobicContact CD2-CG 3.92Å; F767-Q774 HydrophobicContact CG-CG 4.2Å; F767-L775 VanDerWaalsContact CA-O 3.29Å; F767-L775 WeakPolarHBondContact CA-O 3.23Å; F767-L775 WeakPolarHBondContact CB-O 3.39Å; F767-T776 HydrophobicContact CB-CG2 4.11Å; F767-T776 HydrophobicContact CD1-CG2 4.46Å
768	I	98.8	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.2	168.6	53	168.3	0	0	0	108.6	T719 I721 T723 F727 Q774 L775 G791 L793	T719-I768 HydrophobicContact CG2-CD1 3.94Å; I721-I768 HydrophobicContact CD1-CG1 4.42Å; T723-I768 HydrophobicContact CG2-CB 3.6Å; T723-I768 HydrophobicContact CG2-CD1 4.21Å; T723-I768 HydrophobicContact CG2-CG1 4.41Å; T723-I768 HydrophobicContact CG2-CG2 4.01Å; F727-I768 HydrophobicContact CB-CG2 3.85Å; I768-Q774 WeakPolarHBondContact O-CA 3.44Å; I768-L775 HydrophobicContact CG1-CB 4.23Å; I768-L775 PolarHBondContact N-O 2.85Å; I768-L775 VanDerWaalsContact N-O 3.14Å; I768-L775 PolarHBondContact O-N 2.82Å; I768-G791 WeakPolarHBondContact CD1-O 3.47Å; I768-L793 HydrophobicContact CD1-CB 4.46Å; I768-L793 HydrophobicContact CG2-CB 4.29Å
769	K	98.4	Very high	98.5	Very high	58 Å²	58	19.6 Å²	19.6	25%	0.252	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	-179.5	64.2	166.8	-175.8	164.5	0	113.1	Y728 F767 D773 Q774 P837	Y728-K769 HydrophobicContact CE2-CD 4.37Å; Y728-K769 HydrophobicContact CE2-CG 3.86Å; Y728-K769 WeakPolarHBondContact OH-CE 3.41Å; F767-K769 HydrophobicContact CD2-CG 4.46Å; F767-K769 HydrophobicContact CE2-CD 4.26Å; F767-K769 HydrophobicContact CE2-CG 4.39Å; K769-D773 CarbonylContact C-O 3.41Å; K769-D773 WeakPolarHBondContact CA-O 3.33Å; K769-D773 WeakPolarHBondContact CB-O 3.39Å; K769-Q774 HydrophobicContact CB-CB 3.78Å; K769-Q774 HydrophobicContact CB-CG 3.98Å; K769-P837 HydrophobicContact CB-CG 4.44Å; K769-P837 HydrophobicContact CD-CB 4.08Å; K769-P837 HydrophobicContact CD-CG 4.34Å
770	D	97.8	Very high	98.4	Very high	35 Å²	35	19.9 Å²	19.9	19%	0.187	11%	0.106	C	C	.	.			trans	-120.8	-156.6	157.9	60.1	36.3	0	0	0	109.6	I721 K722 T772 D773 P837	I721-D770 WeakPolarHBondContact CA-OD2 3.33Å; I721-D770 HydrophobicContact CG2-CB 3.99Å; K722-D770 HydrophobicContact CB-CB 4.24Å; K722-D770 PolarHBondContact N-OD2 3.31Å; D770-T772 VanDerWaalsContact C-N 3.28Å; D770-T772 PolarHBondContact O-N 2.99Å; D770-T772 PolarHBondContact OD1-N 3.41Å; D770-D773 PolarHBondContact N-O 2.84Å; D770-D773 PolarHBondContact OD1-N 3.45Å; D770-P837 VanDerWaalsContact O-CG 3.25Å; D770-P837 WeakPolarHBondContact O-CG 3.43Å
771	D	96.9	Very high	98.4	Very high	166 Å²	166	19.6 Å²	19.6	89%	0.888	11%	0.105	S	C	*	.	S	Bend	trans	-72.5	-21.4	-179.5	-64.5	-29.9	0	0	0	113.1
772	T	97.5	Very high	98.4	Very high	91 Å²	91	19.4 Å²	19.4	56%	0.558	10%	0.104	S	C	*	.	S	Bend	trans	-111.3	-45.8	-173.4	-54	0	0	0	0	111.8	Q616 D770 P837	Q616-T772 PolarHBondContact NE2-O 3.1Å; D770-T772 VanDerWaalsContact C-N 3.28Å; D770-T772 PolarHBondContact O-N 2.99Å; D770-T772 PolarHBondContact OD1-N 3.41Å; T772-P837 WeakPolarHBondContact O-CD 3.48Å
773	D	98.4	Very high	98.4	Very high	22 Å²	22	19.5 Å²	19.5	12%	0.118	10%	0.104	C	C	.	.			trans	-117.7	135.4	-168.6	-63.1	-46.3	0	0	0	111.7	Q616 I618 I721 K769 D770 L834	Q616-D773 WeakPolarHBondContact CG-OD1 3.22Å; Q616-D773 PolarHBondContact NE2-OD1 3.29Å; I618-D773 HydrophobicContact CG2-CB 4.01Å; I721-D773 HydrophobicContact CD1-CB 4.17Å; I721-D773 HydrophobicContact CG1-CB 4.07Å; K769-D773 CarbonylContact C-O 3.41Å; K769-D773 WeakPolarHBondContact CA-O 3.33Å; K769-D773 WeakPolarHBondContact CB-O 3.39Å; D770-D773 PolarHBondContact N-O 2.84Å; D770-D773 PolarHBondContact OD1-N 3.45Å; D773-L834 HydrophobicContact CB-CD1 4.25Å
774	Q	98.6	Very high	98.4	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.023	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121	167.1	177.3	171.4	-43.1	0	0	110.1	F767 I768 K769 T776 L834 E835 P837 A840	F767-Q774 HydrophobicContact CB-CG 4.13Å; F767-Q774 HydrophobicContact CD2-CG 3.92Å; F767-Q774 HydrophobicContact CG-CG 4.2Å; I768-Q774 WeakPolarHBondContact O-CA 3.44Å; K769-Q774 HydrophobicContact CB-CB 3.78Å; K769-Q774 HydrophobicContact CB-CG 3.98Å; Q774-T776 PolarHBondContact NE2-OG1 3.45Å; Q774-L834 WeakPolarHBondContact O-CA 3.45Å; Q774-E835 WeakPolarHBondContact CB-O 3.24Å; Q774-E835 PolarHBondContact N-O 2.76Å; Q774-E835 PolarHBondContact O-N 3.23Å; Q774-E835 VanDerWaalsContact O-N 3.08Å; Q774-P837 HydrophobicContact CB-CG 4.29Å; Q774-A840 HydrophobicContact CB-CB 4.2Å; Q774-A840 VanDerWaalsContact CD-CB 3.42Å; Q774-A840 HydrophobicContact CG-CB 4.1Å; Q774-A840 VanDerWaalsContact NE2-CB 3.27Å
775	L	98.8	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.3	168.4	179.9	68.7	0	0	0	108.9	L609 I618 L620 L717 T719 I721 F767 I768 L832	L609-L775 HydrophobicContact CD2-CD1 3.91Å; I618-L775 HydrophobicContact CD1-CB 4.42Å; I618-L775 HydrophobicContact CD1-CD1 4.42Å; I618-L775 HydrophobicContact CD1-CD2 4.42Å; L620-L775 HydrophobicContact CD1-CD2 3.97Å; L717-L775 HydrophobicContact CD1-CD2 4.38Å; T719-L775 HydrophobicContact CG2-CD2 3.62Å; I721-L775 HydrophobicContact CD1-CB 3.71Å; F767-L775 VanDerWaalsContact CA-O 3.29Å; F767-L775 WeakPolarHBondContact CA-O 3.23Å; F767-L775 WeakPolarHBondContact CB-O 3.39Å; I768-L775 HydrophobicContact CG1-CB 4.23Å; I768-L775 PolarHBondContact N-O 2.85Å; I768-L775 VanDerWaalsContact N-O 3.14Å; I768-L775 PolarHBondContact O-N 2.82Å; L775-L832 HydrophobicContact CD1-CB 4.42Å
776	T	98.9	Very high	98.5	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.3	177.4	-51.6	0	0	0	0	111.1	R765 F767 Q774 L832 S833 H844	R765-T776 HydrophobicContact CB-CG2 4.39Å; F767-T776 HydrophobicContact CB-CG2 4.11Å; F767-T776 HydrophobicContact CD1-CG2 4.46Å; Q774-T776 PolarHBondContact NE2-OG1 3.45Å; T776-L832 WeakPolarHBondContact O-CA 3.48Å; T776-S833 PolarHBondContact N-O 3.1Å; T776-S833 PolarHBondContact O-N 3.32Å; T776-H844 HydrophobicContact CG2-CB 3.61Å
777	V	98.9	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.8	172.8	-170.3	0	0	0	0	108.9	L717 R765 A766 L793 I795 L830 L831 L832	L717-V777 HydrophobicContact CD1-CG2 3.51Å; R765-V777 CarbonylContact C-O 3.57Å; R765-V777 WeakPolarHBondContact CA-O 3.49Å; R765-V777 WeakPolarHBondContact CB-O 3.22Å; A766-V777 PolarHBondContact N-O 3Å; A766-V777 PolarHBondContact O-N 3.02Å; V777-L793 HydrophobicContact CB-CD2 4.36Å; V777-L793 HydrophobicContact CG2-CD2 3.58Å; V777-I795 HydrophobicContact CB-CD1 4.15Å; V777-I795 HydrophobicContact CG1-CD1 3.58Å; V777-I795 HydrophobicContact CG2-CD1 4.47Å; V777-L830 HydrophobicContact CG1-CB 3.94Å; V777-L830 HydrophobicContact CG1-CD1 4.31Å; V777-L830 HydrophobicContact CG1-CD2 4.02Å; V777-L830 HydrophobicContact CG1-CG 4.32Å; V777-L831 WeakPolarHBondContact CA-O 3.43Å; V777-L832 HydrophobicContact CB-CD2 4.18Å; V777-L832 HydrophobicContact CG1-CD2 3.96Å; V777-L832 HydrophobicContact CG2-CD2 3.65Å
778	V	98.8	Very high	98.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.3	169.7	172	0	0	0	0	109.2	S764 R765 L830 L831 L847 A848 V851	S764-V778 CarbonylContact O-C 3.58Å; S764-V778 VanDerWaalsContact O-CA 3.26Å; S764-V778 WeakPolarHBondContact O-CA 3.07Å; S764-V778 WeakPolarHBondContact O-CG1 3.45Å; R765-V778 HydrophobicContact CB-CG2 4.18Å; V778-L830 WeakPolarHBondContact O-CA 3.46Å; V778-L831 HydrophobicContact CB-CB 4.23Å; V778-L831 PolarHBondContact N-O 2.84Å; V778-L831 PolarHBondContact O-N 2.61Å; V778-L847 HydrophobicContact CB-CD2 4.47Å; V778-L847 HydrophobicContact CG2-CD2 3.97Å; V778-L847 HydrophobicContact CG2-CG 4.16Å; V778-A848 HydrophobicContact CG1-CB 4.17Å; V778-A848 HydrophobicContact CG2-CB 4.3Å; V778-V851 HydrophobicContact CG1-CB 4.06Å; V778-V851 HydrophobicContact CG1-CG1 4.38Å; V778-V851 HydrophobicContact CG1-CG2 3.81Å
779	T	98.4	Very high	98.1	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.8	-178.2	63.2	0	0	0	0	111.5	I762 S764 R781 I795 L830 V851	I762-T779 HydrophobicContact CB-CG2 4.49Å; I762-T779 HydrophobicContact CG2-CG2 3.7Å; S764-T779 PolarHBondContact O-N 2.82Å; T779-R781 WeakPolarHBondContact CB-O 3.34Å; T779-R781 PolarHBondContact OG1-O 3.05Å; T779-I795 HydrophobicContact CG2-CD1 4.37Å; T779-L830 HydrophobicContact CG2-CD2 3.86Å; T779-V851 WeakPolarHBondContact O-CG1 3Å
780	D	98.1	Very high	98	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.032	14%	0.135	C	C	.	.	S	Bend	trans	-92.9	-0.7	178.1	76	-17.4	0	0	0	114.2	R384 G828 R829 V851	R384-D780 WeakPolarHBondContact CD-O 3.17Å; R384-D780 IonicContact CZ-OD2 3.05Å; R384-D780 IonicContact NE-OD2 3.94Å; R384-D780 PolarHBondContact NE-OD2 2.82Å; R384-D780 PolarHBondContact NH1-O 2.81Å; D780-G828 VanDerWaalsContact OD2-CA 3.31Å; D780-G828 WeakPolarHBondContact OD2-CA 3.3Å; D780-R829 HydrophobicContact CB-CG 3.62Å; D780-R829 PolarHBondContact OD2-N 3.06Å; D780-R829 VanDerWaalsContact OD2-N 3.13Å; D780-V851 HydrophobicContact CB-CG1 4.15Å
781	R	98.4	Very high	97.9	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	13%	0.127	C	C	.	.	S	Bend	trans	-161	172	-178.2	70.6	-165.3	72.2	-163.7	-0.7	109.3	P380 K383 R384 T779 Q783 V826 R827	P380-R781 WeakPolarHBondContact O-CD 3.18Å; P380-R781 PolarHBondContact O-NH1 3.44Å; K383-R781 HydrophobicContact CB-CB 4.39Å; R384-R781 HydrophobicContact CB-CB 4.22Å; T779-R781 WeakPolarHBondContact CB-O 3.34Å; T779-R781 PolarHBondContact OG1-O 3.05Å; R781-Q783 HydrophobicContact CG-CG 3.69Å; R781-V826 VanDerWaalsContact NH1-CG1 3.32Å; R781-R827 PolarHBondContact NH2-O 2.87Å
782	S	98.6	Very high	98	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	9%	0.085	C	C	.	.			trans	-70	132.4	171.4	-44.4	0	0	0	0	110.7	T146 K383 R387 I762 N763	T146-S782 WeakPolarHBondContact O-CB 3.25Å; T146-S782 PolarHBondContact O-OG 2.76Å; K383-S782 WeakPolarHBondContact CD-O 3.38Å; R387-S782 PolarHBondContact NH2-OG 3.4Å; I762-S782 CarbonylContact O-C 3.51Å; I762-S782 WeakPolarHBondContact O-CA 3.06Å; N763-S782 WeakPolarHBondContact OD1-CB 3.09Å; N763-S782 PolarHBondContact OD1-OG 2.89Å
783	Q	98.7	Very high	98	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.2	-178.4	-60	-173.7	-95.6	0	0	110.7	F376 I762 R781 I795 M796	F376-Q783 CarbonylContact O-C 3.6Å; F376-Q783 VanDerWaalsContact O-C 3.3Å; F376-Q783 WeakPolarHBondContact O-CA 3.06Å; F376-Q783 PolarHBondContact O-N 3.23Å; I762-Q783 PolarHBondContact N-O 3.45Å; I762-Q783 PolarHBondContact O-N 2.67Å; R781-Q783 HydrophobicContact CG-CG 3.69Å; Q783-I795 HydrophobicContact CB-CG2 3.84Å; Q783-I795 HydrophobicContact CG-CG2 4.37Å; Q783-M796 PolarHBondContact NE2-O 3.36Å
784	G	98.8	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.3	166.5	0	0	0	0	0	111.6	F376 T377 M796	F376-G784 VanDerWaalsContact CB-CA 3.48Å; F376-G784 PolarHBondContact O-N 3.2Å; T377-G784 PolarHBondContact OG1-N 2.81Å; G784-M796 PolarHBondContact O-N 2.73Å
785	G	98.6	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	164.2	172.7	0	0	0	0	0	114.2	Y759 Y760 E794	Y759-G785 WeakPolarHBondContact CA-O 3.38Å; Y760-G785 PolarHBondContact N-O 2.75Å; Y760-G785 PolarHBondContact O-N 2.73Å; G785-E794 CarbonylContact C-O 3.57Å; G785-E794 WeakPolarHBondContact CA-O 3.4Å
786	A	98.6	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.3	-174.2	0	0	0	0	0	112	N758 Y759 I788 E794	N758-A786 WeakPolarHBondContact O-CB 3.34Å; Y759-A786 HydrophobicContact CD2-CB 3.63Å; Y759-A786 HydrophobicContact CE2-CB 3.7Å; Y759-A786 HydrophobicContact CG-CB 4.18Å; A786-I788 HydrophobicContact CB-CD1 3.7Å; A786-I788 HydrophobicContact CB-CG1 4.07Å; A786-E794 HydrophobicContact CB-CG 4.3Å; A786-E794 PolarHBondContact N-O 2.83Å; A786-E794 WeakPolarHBondContact O-CG 3.37Å; A786-E794 PolarHBondContact O-N 3.08Å
787	S	98.1	Very high	98	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	5%	0.052	C	C	.	.			trans	-106.9	94.8	161.1	-175.2	0	0	0	0	109.3	F727 S789 S792	F727-S787 VanDerWaalsContact CD1-CB 3.46Å; S787-S789 PolarHBondContact OG-O 2.9Å; S787-S792 WeakPolarHBondContact CA-O 3.38Å; S787-S792 VanDerWaalsContact CB-O 3.22Å; S787-S792 WeakPolarHBondContact CB-O 3.48Å; S787-S792 PolarHBondContact OG-O 3.03Å
788	I	96.9	Very high	98	Very high	11 Å²	11	9 Å²	9	6%	0.056	5%	0.053	C	C	.	.			trans	-82.2	-32.4	-177.5	-58.6	-56.2	0	0	0	111.7	K741 I755 N758 A786 E794	K741-I788 WeakPolarHBondContact CD-O 3.48Å; K741-I788 WeakPolarHBondContact CE-O 3.48Å; K741-I788 PolarHBondContact NZ-O 2.6Å; I755-I788 HydrophobicContact CD1-CD1 4.12Å; I755-I788 HydrophobicContact CD1-CG1 4.31Å; I755-I788 HydrophobicContact CD1-CG2 3.62Å; I755-I788 HydrophobicContact CG2-CD1 4.31Å; N758-I788 HydrophobicContact CB-CD1 3.98Å; A786-I788 HydrophobicContact CB-CD1 3.7Å; A786-I788 HydrophobicContact CB-CG1 4.07Å; I788-E794 HydrophobicContact CG1-CG 4.18Å; I788-E794 WeakPolarHBondContact CG1-OE1 3.33Å
789	S	94.5	Very high	98	Very high	58 Å²	58	9 Å²	9	41%	0.406	5%	0.053	S	C	.	.	S	Bend	trans	-120.2	149.8	175.4	-63.7	0	0	0	0	110.1	S787 G791 S792	S787-S789 PolarHBondContact OG-O 2.9Å; S789-G791 PolarHBondContact O-N 3.1Å; S789-S792 WeakPolarHBondContact CA-OG 3.23Å; S789-S792 WeakPolarHBondContact CB-OG 3.24Å; S789-S792 PolarHBondContact N-OG 2.87Å; S789-S792 WeakPolarHBondContact O-CB 3.47Å; S789-S792 PolarHBondContact O-N 2.9Å; S789-S792 PolarHBondContact O-OG 3.47Å
790	N	95	Very high	98	Very high	93 Å²	93	10 Å²	10	50%	0.497	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	127.6	176.8	-171.5	30.5	0	0	0	110	T723 A724 S792	T723-N790 PolarHBondContact N-OD1 2.81Å; T723-N790 VanDerWaalsContact N-OD1 3.15Å; T723-N790 PolarHBondContact OG1-OD1 3.38Å; A724-N790 PolarHBondContact N-OD1 2.88Å; N790-S792 VanDerWaalsContact C-N 3.29Å
791	G	97.1	Very high	98.1	Very high	2 Å²	2	9.9 Å²	9.9	2%	0.021	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	2.6	-175.7	0	0	0	0	0	115.1	T719 I721 T723 I768 S789	T719-G791 WeakPolarHBondContact CB-O 3.17Å; T719-G791 PolarHBondContact N-O 3.42Å; T719-G791 PolarHBondContact OG1-O 3.22Å; I721-G791 VanDerWaalsContact O-CA 3.26Å; I721-G791 WeakPolarHBondContact O-CA 3.41Å; T723-G791 PolarHBondContact OG1-N 3.32Å; I768-G791 WeakPolarHBondContact CD1-O 3.47Å; S789-G791 PolarHBondContact O-N 3.1Å
792	S	97.4	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.1	176.7	79.1	0	0	0	0	112.3	L717 D718 S787 S789 N790	L717-S792 CarbonylContact O-C 3.56Å; L717-S792 WeakPolarHBondContact O-CA 3.37Å; D718-S792 WeakPolarHBondContact OD1-CB 3.37Å; S787-S792 WeakPolarHBondContact CA-O 3.38Å; S787-S792 VanDerWaalsContact CB-O 3.22Å; S787-S792 WeakPolarHBondContact CB-O 3.48Å; S787-S792 PolarHBondContact OG-O 3.03Å; S789-S792 WeakPolarHBondContact CA-OG 3.23Å; S789-S792 WeakPolarHBondContact CB-OG 3.24Å; S789-S792 PolarHBondContact N-OG 2.87Å; S789-S792 WeakPolarHBondContact O-CB 3.47Å; S789-S792 PolarHBondContact O-N 2.9Å; S789-S792 PolarHBondContact O-OG 3.47Å; N790-S792 VanDerWaalsContact C-N 3.29Å
793	L	98.6	Very high	97.9	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.2	165.8	-178.4	65.3	0	0	0	108.8	L717 A766 I768 V777	L717-L793 PolarHBondContact N-O 3.1Å; L717-L793 PolarHBondContact O-N 2.75Å; A766-L793 HydrophobicContact CB-CD2 4.34Å; I768-L793 HydrophobicContact CD1-CB 4.46Å; I768-L793 HydrophobicContact CG2-CB 4.29Å; V777-L793 HydrophobicContact CB-CD2 4.36Å; V777-L793 HydrophobicContact CG2-CD2 3.58Å
794	E	98.7	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.1	174.6	62.1	-179.7	-137.3	0	0	112	Y627 I714 T715 R716 Y759 G785 A786 I788	Y627-E794 PolarHBondContact OH-OE1 2.85Å; I714-E794 HydrophobicContact CD1-CB 4.16Å; I714-E794 WeakPolarHBondContact CD1-OE2 3.29Å; T715-E794 CarbonylContact O-C 3.56Å; T715-E794 VanDerWaalsContact O-CA 3.27Å; T715-E794 WeakPolarHBondContact O-CA 3.49Å; R716-E794 HydrophobicContact CB-CB 4.16Å; R716-E794 HydrophobicContact CG-CB 4.23Å; R716-E794 IonicContact CZ-OE2 2.63Å; R716-E794 VanDerWaalsContact CZ-OE2 3.23Å; R716-E794 IonicContact NE-OE2 2.66Å; R716-E794 PolarHBondContact NE-OE2 2.93Å; R716-E794 IonicContact NH2-OE2 2.81Å; R716-E794 PolarHBondContact NH2-OE2 3Å; Y759-E794 VanDerWaalsContact CE2-OE1 3.26Å; Y759-E794 WeakPolarHBondContact CE2-OE1 3.21Å; Y759-E794 VanDerWaalsContact CZ-OE1 3.31Å; Y759-E794 PolarHBondContact OH-OE1 2.96Å; G785-E794 CarbonylContact C-O 3.57Å; G785-E794 WeakPolarHBondContact CA-O 3.4Å; A786-E794 HydrophobicContact CB-CG 4.3Å; A786-E794 PolarHBondContact N-O 2.83Å; A786-E794 WeakPolarHBondContact O-CG 3.37Å; A786-E794 PolarHBondContact O-N 3.08Å; I788-E794 HydrophobicContact CG1-CG 4.18Å; I788-E794 WeakPolarHBondContact CG1-OE1 3.33Å
795	I	98.9	Very high	97.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.4	-179.4	-57	176.1	0	0	0	107.6	I714 T715 I762 V777 T779 Q783 L797 L830	I714-I795 CarbonylContact C-O 3.52Å; I714-I795 VanDerWaalsContact CA-O 3.31Å; I714-I795 WeakPolarHBondContact CA-O 3.4Å; T715-I795 HydrophobicContact CG2-CB 4.26Å; T715-I795 PolarHBondContact N-O 2.77Å; T715-I795 PolarHBondContact O-N 2.77Å; I762-I795 HydrophobicContact CD1-CG1 4.21Å; V777-I795 HydrophobicContact CB-CD1 4.15Å; V777-I795 HydrophobicContact CG1-CD1 3.58Å; V777-I795 HydrophobicContact CG2-CD1 4.47Å; T779-I795 HydrophobicContact CG2-CD1 4.37Å; Q783-I795 HydrophobicContact CB-CG2 3.84Å; Q783-I795 HydrophobicContact CG-CG2 4.37Å; I795-L797 HydrophobicContact CG2-CD2 4.24Å; I795-L830 HydrophobicContact CD1-CD1 4.08Å; I795-L830 HydrophobicContact CD1-CD2 4.08Å
796	M	98.9	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.8	175.7	-169.1	-174.1	-73	0	0	110	T377 F646 E712 I714 Y759 Q783 G784 R799	T377-M796 HydrophobicContact CG2-CB 4.14Å; T377-M796 HydrophobicContact CG2-CG 3.84Å; T377-M796 WeakPolarHBondContact CG2-O 3.19Å; T377-M796 HydrophobicContact CG2-SD 4.23Å; F646-M796 HydrophobicContact CD1-CE 3.9Å; F646-M796 HydrophobicContact CD2-CE 4.13Å; F646-M796 HydrophobicContact CE1-CE 3.71Å; F646-M796 HydrophobicContact CE2-CE 3.94Å; F646-M796 HydrophobicContact CG-CE 4.11Å; F646-M796 HydrophobicContact CZ-CE 3.74Å; E712-M796 HydrophobicContact CB-CE 4.02Å; E712-M796 HydrophobicContact CB-SD 4.23Å; I714-M796 HydrophobicContact CG2-CB 4.04Å; I714-M796 HydrophobicContact CG2-CG 4.14Å; Y759-M796 HydrophobicContact CE1-CB 3.98Å; Y759-M796 HydrophobicContact CE1-CE 3.93Å; Q783-M796 PolarHBondContact NE2-O 3.36Å; G784-M796 PolarHBondContact O-N 2.73Å; M796-R799 HydrophobicContact CG-CG 4.19Å; M796-R799 WeakPolarHBondContact SD-CD 3.46Å; M796-R799 HydrophobicContact SD-CG 3.48Å; M796-R799 WeakPolarHBondContact SD-CG 3.18Å
797	L	98.9	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-39.8	-170.4	-57.3	-175.5	0	0	0	112.7	P380 F624 W698 V700 V713 T715 I795	P380-L797 WeakPolarHBondContact CB-O 3.45Å; F624-L797 HydrophobicContact CD1-CD1 4.03Å; F624-L797 HydrophobicContact CE1-CD1 3.54Å; W698-L797 HydrophobicContact CB-CD1 4.16Å; W698-L797 HydrophobicContact CD2-CB 4.41Å; W698-L797 HydrophobicContact CD2-CD1 3.88Å; W698-L797 HydrophobicContact CD2-CD2 4.22Å; W698-L797 HydrophobicContact CD2-CG 4.41Å; W698-L797 HydrophobicContact CE3-CB 4.29Å; W698-L797 HydrophobicContact CE3-CD1 4.27Å; W698-L797 HydrophobicContact CG-CD1 3.81Å; W698-L797 HydrophobicContact CG-CD2 4.48Å; W698-L797 HydrophobicContact CH2-CB 4.25Å; W698-L797 HydrophobicContact CZ2-CB 4.39Å; W698-L797 HydrophobicContact CZ2-CD2 4.05Å; W698-L797 HydrophobicContact CZ3-CB 4.21Å; V700-L797 HydrophobicContact CG2-CD1 4.22Å; V713-L797 PolarHBondContact O-N 3.11Å; T715-L797 HydrophobicContact CG2-CD1 3.98Å; T715-L797 HydrophobicContact CG2-CD2 3.87Å; T715-L797 HydrophobicContact CG2-CG 4.1Å; I795-L797 HydrophobicContact CG2-CD2 4.24Å
798	H	98.8	Very high	97.6	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150.9	-176.7	-161.3	8.4	0	0	0	111.2	P380 V700 V713 L824 V826	P380-H798 HydrophobicContact CG-CB 4.48Å; V700-H798 HydrophobicContact CB-CB 4.31Å; V700-H798 HydrophobicContact CG1-CB 3.83Å; V713-H798 PolarHBondContact N-O 3.42Å; V713-H798 PolarHBondContact O-N 2.96Å; H798-L824 PolarHBondContact NE2-O 3.34Å; H798-V826 WeakPolarHBondContact NE2-CG2 3.31Å
799	R	98.6	Very high	97.6	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.9	-178.8	-56.5	175.8	79.8	-138.2	0.6	109	G374 T377 S378 S641 G642 I645 E712 M796 L813	G374-R799 VanDerWaalsContact C-NH1 3.25Å; G374-R799 WeakPolarHBondContact O-CD 3.44Å; G374-R799 PolarHBondContact O-NH1 3Å; T377-R799 HydrophobicContact CG2-CG 4.25Å; S378-R799 PolarHBondContact OG-NH1 2.74Å; S641-R799 PolarHBondContact OG-NH2 3.19Å; G642-R799 PolarHBondContact O-NH1 3.03Å; G642-R799 PolarHBondContact O-NH2 3.13Å; I645-R799 PolarHBondContact O-NH2 3.24Å; E712-R799 HydrophobicContact CB-CG 4.31Å; E712-R799 HydrophobicContact CG-CB 4.43Å; E712-R799 HydrophobicContact CG-CG 4.23Å; E712-R799 IonicContact OE1-NH2 3.91Å; E712-R799 IonicContact OE2-CZ 2.7Å; E712-R799 IonicContact OE2-NE 3.35Å; E712-R799 PolarHBondContact OE2-NE 3.31Å; E712-R799 IonicContact OE2-NH2 3.68Å; E712-R799 PolarHBondContact OE2-NH2 2.8Å; M796-R799 HydrophobicContact CG-CG 4.19Å; M796-R799 WeakPolarHBondContact SD-CD 3.46Å; M796-R799 HydrophobicContact SD-CG 3.48Å; M796-R799 WeakPolarHBondContact SD-CG 3.18Å; R799-L813 HydrophobicContact CB-CD2 3.89Å
800	R	98.5	Very high	97.8	Very high	25 Å²	25	27.8 Å²	27.8	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	116.1	169.9	-170.4	-177.5	-179.3	-174.4	9.7	109.3	V703 V705 G710 K711 L813 N814 D822	V703-R800 HydrophobicContact CB-CB 3.93Å; V703-R800 HydrophobicContact CG1-CB 4.09Å; V703-R800 VanDerWaalsContact O-CD 3.28Å; V703-R800 WeakPolarHBondContact O-CD 3.44Å; V703-R800 PolarHBondContact O-NH1 2.79Å; V705-R800 HydrophobicContact CG1-CG 4.11Å; G710-R800 CarbonylContact C-O 3.55Å; G710-R800 WeakPolarHBondContact CA-O 3.44Å; K711-R800 PolarHBondContact N-O 3.2Å; K711-R800 PolarHBondContact O-N 3.49Å; R800-L813 WeakPolarHBondContact CA-O 3.42Å; R800-N814 PolarHBondContact NE-OD1 3.03Å; R800-N814 PolarHBondContact NH2-OD1 3.47Å; R800-N814 VanDerWaalsContact NH2-OD1 3.15Å; R800-D822 VanDerWaalsContact CZ-O 3.23Å; R800-D822 PolarHBondContact NH1-O 3.03Å; R800-D822 PolarHBondContact NH2-O 2.81Å
801	L	98.4	Very high	97.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.141	C	C	.	.			trans	-123.4	152.1	-169.1	-60	168.6	0	0	0	109.9	G642 E712 L813	G642-L801 VanDerWaalsContact CA-CD1 3.49Å; G642-L801 WeakPolarHBondContact O-CD1 3.3Å; E712-L801 HydrophobicContact CG-CD2 3.93Å; L801-L813 HydrophobicContact CB-CB 4.36Å; L801-L813 HydrophobicContact CD1-CB 4.38Å; L801-L813 HydrophobicContact CD1-CD2 4.48Å; L801-L813 PolarHBondContact N-O 2.71Å
802	L	97.4	Very high	98	Very high	52 Å²	52	28 Å²	28	27%	0.272	15%	0.154	S	C	.	.	S	Bend	trans	-109.2	-1.3	-172.6	-59.4	-179.7	0	0	0	113.3	V705 E708	V705-L802 HydrophobicContact CB-CD1 4.21Å; V705-L802 HydrophobicContact CB-CD2 3.96Å; V705-L802 HydrophobicContact CB-CG 4.45Å; V705-L802 HydrophobicContact CG1-CD2 4.1Å; V705-L802 HydrophobicContact CG1-CG 4.48Å; V705-L802 HydrophobicContact CG2-CD2 4.09Å; E708-L802 WeakPolarHBondContact O-CD1 3.35Å
803	H	97.3	Very high	98	Very high	72 Å²	72	28 Å²	28	33%	0.333	16%	0.155	S	C	.	.	S	Bend	trans	-130.8	149.8	-179.1	-56.8	-72.6	0	0	0	110.2	N631 T640	N631-H803 WeakPolarHBondContact CB-NE2 3.01Å; T640-H803 HydrophobicContact CG2-CB 3.72Å
804	D	97.9	Very high	98	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.144	17%	0.169	C	C	.	.			trans	-73	149.7	161.6	-179.3	74.7	0	0	0	109	T640 Y806 V809 G810 E811	T640-D804 PolarHBondContact OG1-O 3.34Å; D804-Y806 VanDerWaalsContact OD2-CA 3.22Å; D804-Y806 WeakPolarHBondContact OD2-CA 3.2Å; D804-Y806 PolarHBondContact OD2-N 2.79Å; D804-V809 WeakPolarHBondContact OD1-CG1 3.33Å; D804-G810 VanDerWaalsContact OD1-CA 3.3Å; D804-G810 WeakPolarHBondContact OD1-CA 3.02Å; D804-G810 PolarHBondContact OD1-N 3.22Å; D804-E811 PolarHBondContact OD1-N 3.44Å; D804-E811 VanDerWaalsContact OD1-N 3.13Å
805	D	97.7	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.			trans	-97.1	12.7	178.8	53	8.2	0	0	0	114.4	Q639 T640 G642 A643 Y644 I645 R807	Q639-D805 PolarHBondContact NE2-O 2.92Å; T640-D805 WeakPolarHBondContact OG1-CA 3.36Å; G642-D805 VanDerWaalsContact CA-OD2 3.25Å; G642-D805 WeakPolarHBondContact CA-OD2 3.49Å; A643-D805 PolarHBondContact N-OD2 2.93Å; A643-D805 VanDerWaalsContact N-OD2 3.1Å; Y644-D805 WeakPolarHBondContact CA-OD2 3.03Å; Y644-D805 WeakPolarHBondContact CB-OD2 3.37Å; Y644-D805 WeakPolarHBondContact CD2-OD1 3.39Å; Y644-D805 PolarHBondContact N-OD2 2.93Å; I645-D805 HydrophobicContact CB-CB 4.14Å; I645-D805 HydrophobicContact CD1-CB 4.32Å; I645-D805 PolarHBondContact N-OD2 2.98Å; D805-R807 VanDerWaalsContact C-N 3.34Å; D805-R807 PolarHBondContact O-N 2.72Å; D805-R807 PolarHBondContact O-NH1 3.4Å
806	Y	96.3	Very high	97.8	Very high	156 Å²	156	38.7 Å²	38.7	61%	0.612	20%	0.2	S	C	*	.	S	Bend	trans	60.4	41.2	173.5	-51.3	-70.9	0	0	0	112.9	T640 D804	T640-Y806 HydrophobicContact CG2-CE2 4.19Å; D804-Y806 VanDerWaalsContact OD2-CA 3.22Å; D804-Y806 WeakPolarHBondContact OD2-CA 3.2Å; D804-Y806 PolarHBondContact OD2-N 2.79Å
807	R	97.1	Very high	97.4	Very high	55 Å²	55	40.4 Å²	40.4	21%	0.208	21%	0.212	C	C	.	.	S	Bend	trans	-112.6	9.8	172.9	-65.9	-55.9	-177	-75.6	1.9	114.5	D366 S370 W372 Q639 Y644 I645 D805	D366-R807 IonicContact OD1-CZ 3.84Å; D366-R807 IonicContact OD1-NE 2.68Å; D366-R807 IonicContact OD1-NH2 3.13Å; D366-R807 PolarHBondContact OD1-NH2 3Å; D366-R807 IonicContact OD2-CZ 3.47Å; D366-R807 IonicContact OD2-NE 3.59Å; D366-R807 PolarHBondContact OD2-NE 3.15Å; D366-R807 IonicContact OD2-NH2 2.79Å; D366-R807 PolarHBondContact OD2-NH2 3.36Å; S370-R807 VanDerWaalsContact CB-NH2 3.28Å; S370-R807 PolarHBondContact OG-NH2 3.44Å; S370-R807 VanDerWaalsContact OG-NH2 3.13Å; W372-R807 HydrophobicContact CH2-CB 4.09Å; W372-R807 HydrophobicContact CH2-CG 3.84Å; W372-R807 HydrophobicContact CZ2-CB 4.4Å; W372-R807 HydrophobicContact CZ2-CG 3.64Å; W372-R807 VanDerWaalsContact CZ2-NE 3.31Å; Q639-R807 VanDerWaalsContact OE1-NH2 3.12Å; Y644-R807 HydrophobicContact CD2-CB 3.75Å; Y644-R807 HydrophobicContact CD2-CG 4.44Å; Y644-R807 HydrophobicContact CE2-CB 3.89Å; Y644-R807 HydrophobicContact CG-CB 4.19Å; I645-R807 HydrophobicContact CD1-CG 4.21Å; D805-R807 VanDerWaalsContact C-N 3.34Å; D805-R807 PolarHBondContact O-N 2.72Å; D805-R807 PolarHBondContact O-NH1 3.4Å
808	G	96.8	Very high	97	Very high	40 Å²	40	49.1 Å²	49.1	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	114.7	-25.4	167.3	0	0	0	0	0	114.7	L62 G810	L62-G808 WeakPolarHBondContact CD2-O 3.19Å; G808-G810 PolarHBondContact O-N 3.08Å
809	V	97.6	Very high	96.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	27%	0.269	C	S	.	.			trans	-58.9	-34.2	179.2	70.3	0	0	0	0	112.6	T436 K438 A643 Y644 D804 E811	T436-V809 VanDerWaalsContact O-CG2 3.27Å; T436-V809 WeakPolarHBondContact O-CG2 3.48Å; K438-V809 WeakPolarHBondContact CE-O 3.18Å; K438-V809 HydrophobicContact CG-CG2 3.98Å; K438-V809 PolarHBondContact NZ-O 3.39Å; A643-V809 HydrophobicContact CB-CG1 4.48Å; Y644-V809 HydrophobicContact CE2-CB 4.05Å; Y644-V809 HydrophobicContact CE2-CG1 3.88Å; D804-V809 WeakPolarHBondContact OD1-CG1 3.33Å; V809-E811 VanDerWaalsContact C-N 3.26Å; V809-E811 PolarHBondContact O-N 3.18Å
810	G	97.7	Very high	96.4	Very high	50 Å²	50	53 Å²	53	52%	0.515	27%	0.272	S	S	.	.			trans	66.2	28.2	173.1	0	0	0	0	0	113.1	D804 G808	D804-G810 VanDerWaalsContact OD1-CA 3.3Å; D804-G810 WeakPolarHBondContact OD1-CA 3.02Å; D804-G810 PolarHBondContact OD1-N 3.22Å; G808-G810 PolarHBondContact O-N 3.08Å
811	E	98.3	Very high	96.1	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.294	29%	0.29	S	S	.	.	S	Bend	trans	-145.2	134.4	-179.8	-85.3	171.6	-146.6	0	0	109.6	K438 Q439 D804 V809	K438-E811 WeakPolarHBondContact CA-OE2 3.19Å; K438-E811 VanDerWaalsContact CD-OE1 3.27Å; K438-E811 WeakPolarHBondContact CD-OE1 3.39Å; K438-E811 HydrophobicContact CG-CG 4.49Å; K438-E811 VanDerWaalsContact CG-OE1 3.3Å; K438-E811 WeakPolarHBondContact CG-OE1 3.28Å; K438-E811 IonicContact NZ-OE1 3.97Å; K438-E811 PolarHBondContact NZ-OE1 2.91Å; Q439-E811 PolarHBondContact N-OE2 2.96Å; D804-E811 PolarHBondContact OD1-N 3.44Å; D804-E811 VanDerWaalsContact OD1-N 3.13Å; V809-E811 VanDerWaalsContact C-N 3.26Å; V809-E811 PolarHBondContact O-N 3.18Å
812	A	98.1	Very high	95.9	Very high	35 Å²	35	60.2 Å²	60.2	29%	0.289	32%	0.317	S	S	.	.			trans	-68.1	144.6	168.8	0	0	0	0	0	110.5	N814	A812-N814 HydrophobicContact CB-CB 4.47Å; A812-N814 PolarHBondContact O-N 3.28Å
813	L	98.6	Very high	95.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	30%	0.304	C	S	.	.	S	Bend	trans	-72.3	75.6	171.8	-175	69.3	0	0	0	110.5	S378 R379 R799 R800 L801 E815	S378-L813 WeakPolarHBondContact OG-CD2 3.33Å; R379-L813 HydrophobicContact CG-CD1 3.9Å; R799-L813 HydrophobicContact CB-CD2 3.89Å; R800-L813 WeakPolarHBondContact CA-O 3.42Å; L801-L813 HydrophobicContact CB-CB 4.36Å; L801-L813 HydrophobicContact CD1-CB 4.38Å; L801-L813 HydrophobicContact CD1-CD2 4.48Å; L801-L813 PolarHBondContact N-O 2.71Å; L813-E815 HydrophobicContact CD1-CG 4.14Å
814	N	97.9	Very high	95.9	Very high	58 Å²	58	55.8 Å²	55.8	31%	0.31	30%	0.296	S	S	.	.			trans	-123.9	60.7	-174.2	-170.2	15	0	0	0	111.1	R800 A812 W816	R800-N814 PolarHBondContact NE-OD1 3.03Å; R800-N814 PolarHBondContact NH2-OD1 3.47Å; R800-N814 VanDerWaalsContact NH2-OD1 3.15Å; A812-N814 HydrophobicContact CB-CB 4.47Å; A812-N814 PolarHBondContact O-N 3.28Å; N814-W816 PolarHBondContact O-N 2.91Å
815	E	97.8	Very high	95.9	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.061	29%	0.294	C	S	.	.			trans	-63.9	132.8	-172.2	-57.2	-175.8	103	0	0	112.5	R379 L813 G823 L824	R379-E815 WeakPolarHBondContact CA-OE2 3.17Å; R379-E815 WeakPolarHBondContact CG-OE1 3.13Å; R379-E815 IonicContact NH1-OE1 3.21Å; R379-E815 PolarHBondContact NH1-OE1 2.89Å; L813-E815 HydrophobicContact CD1-CG 4.14Å; E815-G823 CarbonylContact O-C 3.56Å; E815-G823 WeakPolarHBondContact O-CA 3.45Å; E815-L824 HydrophobicContact CB-CB 3.98Å; E815-L824 HydrophobicContact CB-CD2 4.22Å; E815-L824 PolarHBondContact O-N 3.05Å
816	W	94.3	Very high	95.9	Very high	156 Å²	156	55.6 Å²	55.6	59%	0.591	30%	0.295	S	S	*	.			trans	-140.6	167.4	173.5	67.7	-86.7	0	0	0	110.1	N814	N814-W816 PolarHBondContact O-N 2.91Å
817	S	91.6	Very high	95.9	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-145.9	166.9	170.7	64.3	0	0	0	0	110.1	L819 F820 P821	S817-L819 PolarHBondContact O-N 2.92Å; S817-L819 VanDerWaalsContact O-N 3.16Å; S817-F820 PolarHBondContact N-O 2.87Å; S817-F820 VanDerWaalsContact N-O 3.17Å; S817-F820 CarbonylContact O-C 3.58Å; S817-F820 WeakPolarHBondContact O-CA 3.27Å; S817-F820 PolarHBondContact O-N 2.83Å; S817-F820 PolarHBondContact OG-N 3.47Å; S817-F820 VanDerWaalsContact OG-N 3.1Å; S817-P821 WeakPolarHBondContact O-CA 3.46Å; S817-P821 VanDerWaalsContact O-N 3.1Å
818	E	90.6	Very high	95.9	Very high	182 Å²	182	47 Å²	47	85%	0.85	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.4	173.7	-64.6	-179.2	178.2	0	0	112.3
819	L	90.3	Very high	96	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.366	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.2	175.1	-67.8	176.8	0	0	0	113.4	R545 S817	R545-L819 PolarHBondContact NE-O 2.99Å; R545-L819 PolarHBondContact NH1-O 3.1Å; R545-L819 PolarHBondContact NH2-O 3.19Å; S817-L819 PolarHBondContact O-N 2.92Å; S817-L819 VanDerWaalsContact O-N 3.16Å
820	F	93.4	Very high	96	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.07	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-138.5	70.4	-178.3	-59.6	-72.3	0	0	0	109.5	V543 S817 D822 G823 L824 V825	V543-F820 HydrophobicContact CG1-CZ 3.92Å; V543-F820 WeakPolarHBondContact O-CZ 3.3Å; S817-F820 PolarHBondContact N-O 2.87Å; S817-F820 VanDerWaalsContact N-O 3.17Å; S817-F820 CarbonylContact O-C 3.58Å; S817-F820 WeakPolarHBondContact O-CA 3.27Å; S817-F820 PolarHBondContact O-N 2.83Å; S817-F820 PolarHBondContact OG-N 3.47Å; S817-F820 VanDerWaalsContact OG-N 3.1Å; F820-D822 PolarHBondContact O-N 2.63Å; F820-G823 WeakPolarHBondContact CB-O 3.3Å; F820-G823 PolarHBondContact O-N 3.5Å; F820-L824 HydrophobicContact CD2-CD1 4.2Å; F820-V825 HydrophobicContact CD1-CB 4.27Å; F820-V825 HydrophobicContact CD1-CG2 3.47Å; F820-V825 VanDerWaalsContact CD1-CG2 3.47Å; F820-V825 HydrophobicContact CE1-CB 4.06Å; F820-V825 HydrophobicContact CE1-CG2 3.57Å; F820-V825 HydrophobicContact CG-CG2 4.11Å; F820-V825 HydrophobicContact CZ-CB 4.3Å; F820-V825 HydrophobicContact CZ-CG2 4.29Å
821	P	93.6	Very high	96.1	Very high	72 Å²	72	45 Å²	45	47%	0.468	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.9	-174.8	26.7	-35.1	0	0	0	112	S817 G823	S817-P821 WeakPolarHBondContact O-CA 3.46Å; S817-P821 VanDerWaalsContact O-N 3.1Å; P821-G823 PolarHBondContact O-N 3.35Å
822	D	94.1	Very high	96.1	Very high	108 Å²	108	42 Å²	42	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	4.7	179.6	-52.7	-56.7	0	0	0	113.2	P702 R800 F820	P702-D822 HydrophobicContact CB-CB 4.27Å; P702-D822 HydrophobicContact CG-CB 4.44Å; R800-D822 VanDerWaalsContact CZ-O 3.23Å; R800-D822 PolarHBondContact NH1-O 3.03Å; R800-D822 PolarHBondContact NH2-O 2.81Å; F820-D822 PolarHBondContact O-N 2.63Å
823	G	96.8	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.			trans	123.3	141.8	-178.8	0	0	0	0	0	113.1	P702 E815 F820 P821	P702-G823 VanDerWaalsContact CB-O 3.29Å; P702-G823 WeakPolarHBondContact CB-O 3.48Å; P702-G823 WeakPolarHBondContact CG-O 3.41Å; E815-G823 CarbonylContact O-C 3.56Å; E815-G823 WeakPolarHBondContact O-CA 3.45Å; F820-G823 WeakPolarHBondContact CB-O 3.3Å; F820-G823 PolarHBondContact O-N 3.5Å; P821-G823 PolarHBondContact O-N 3.35Å
824	L	97.3	Very high	96.1	Very high	31 Å²	31	40.4 Å²	40.4	16%	0.162	20%	0.202	C	C	.	.			trans	-61.6	139.9	-175.2	-171.6	64.9	0	0	0	112.9	A381 H798 E815 F820 V826	A381-L824 HydrophobicContact CB-CD2 3.89Å; H798-L824 PolarHBondContact NE2-O 3.34Å; E815-L824 HydrophobicContact CB-CB 3.98Å; E815-L824 HydrophobicContact CB-CD2 4.22Å; E815-L824 PolarHBondContact O-N 3.05Å; F820-L824 HydrophobicContact CD2-CD1 4.2Å; L824-V826 HydrophobicContact CD2-CG2 4.22Å; L824-V826 HydrophobicContact CG-CG2 4.24Å
825	V	97.5	Very high	96.1	Very high	19 Å²	19	38.5 Å²	38.5	12%	0.115	19%	0.191	C	C	.	.			trans	-102.7	131.1	171.8	-170.1	0	0	0	0	109.9	V543 T699 P702 F820	V543-V825 HydrophobicContact CG2-CG1 3.82Å; T699-V825 HydrophobicContact CG2-CG1 3.72Å; P702-V825 HydrophobicContact CG-CG2 3.91Å; F820-V825 HydrophobicContact CD1-CB 4.27Å; F820-V825 HydrophobicContact CD1-CG2 3.47Å; F820-V825 VanDerWaalsContact CD1-CG2 3.47Å; F820-V825 HydrophobicContact CE1-CB 4.06Å; F820-V825 HydrophobicContact CE1-CG2 3.57Å; F820-V825 HydrophobicContact CG-CG2 4.11Å; F820-V825 HydrophobicContact CZ-CB 4.3Å; F820-V825 HydrophobicContact CZ-CG2 4.29Å
826	V	97.8	Very high	96.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.6	-176	-173.1	0	0	0	0	109.1	P380 A381 W698 T699 V700 R781 H798 L824	P380-V826 HydrophobicContact CB-CG1 4.26Å; P380-V826 HydrophobicContact CG-CB 4.46Å; P380-V826 HydrophobicContact CG-CG1 4.05Å; P380-V826 HydrophobicContact CG-CG2 4.03Å; A381-V826 HydrophobicContact CB-CG2 4.36Å; W698-V826 HydrophobicContact CH2-CG1 3.74Å; W698-V826 HydrophobicContact CZ3-CB 4.04Å; W698-V826 HydrophobicContact CZ3-CG1 3.71Å; W698-V826 WeakPolarHBondContact CZ3-O 3.29Å; T699-V826 WeakPolarHBondContact CA-O 3.34Å; V700-V826 PolarHBondContact N-O 2.87Å; V700-V826 PolarHBondContact O-N 2.9Å; R781-V826 VanDerWaalsContact NH1-CG1 3.32Å; H798-V826 WeakPolarHBondContact NE2-CG2 3.31Å; L824-V826 HydrophobicContact CD2-CG2 4.22Å; L824-V826 HydrophobicContact CG-CG2 4.24Å
827	R	97.4	Very high	96.3	Very high	27 Å²	27	33.6 Å²	33.6	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.4	174.7	175.4	173.5	-69.8	-171.4	-10.5	109.8	N481 T540 E697 W698 T699 R781	N481-R827 VanDerWaalsContact O-CD 3.3Å; N481-R827 WeakPolarHBondContact O-CD 3.23Å; N481-R827 PolarHBondContact O-NH1 3.2Å; T540-R827 PolarHBondContact OG1-NH1 3.41Å; T540-R827 PolarHBondContact OG1-NH2 2.79Å; E697-R827 HydrophobicContact CG-CG 4.13Å; W698-R827 VanDerWaalsContact O-CA 3.25Å; W698-R827 WeakPolarHBondContact O-CA 3.4Å; T699-R827 PolarHBondContact OG1-NE 2.93Å; T699-R827 PolarHBondContact OG1-NH2 2.94Å; T699-R827 VanDerWaalsContact OG1-NH2 3.16Å; R781-R827 PolarHBondContact NH2-O 2.87Å
828	G	97.3	Very high	96.5	Very high	5 Å²	5	35.4 Å²	35.4	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-177.3	176.8	0	0	0	0	0	112.5	E697 W698 D780	E697-G828 CarbonylContact C-O 3.5Å; E697-G828 VanDerWaalsContact CA-O 3.29Å; E697-G828 WeakPolarHBondContact CA-O 3.43Å; W698-G828 PolarHBondContact N-O 3.48Å; W698-G828 PolarHBondContact O-N 3.18Å; D780-G828 VanDerWaalsContact OD2-CA 3.31Å; D780-G828 WeakPolarHBondContact OD2-CA 3.3Å
829	R	97.3	Very high	96.7	Very high	31 Å²	31	29.7 Å²	29.7	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.6	-178.6	64.7	-179.2	179.6	-173.3	-4	112.5	E695 L696 D780	E695-R829 HydrophobicContact CG-CB 4.29Å; L696-R829 CarbonylContact O-C 3.54Å; L696-R829 WeakPolarHBondContact O-CA 3.29Å; D780-R829 HydrophobicContact CB-CG 3.62Å; D780-R829 PolarHBondContact OD2-N 3.06Å; D780-R829 VanDerWaalsContact OD2-N 3.13Å
830	L	98.6	Very high	97.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.9	166.2	-58.3	177.1	0	0	0	108.6	L696 T715 V777 V778 T779 I795	L696-L830 HydrophobicContact CB-CB 4.34Å; L696-L830 PolarHBondContact N-O 3.12Å; L696-L830 PolarHBondContact O-N 2.87Å; T715-L830 HydrophobicContact CG2-CD1 3.57Å; V777-L830 HydrophobicContact CG1-CB 3.94Å; V777-L830 HydrophobicContact CG1-CD1 4.31Å; V777-L830 HydrophobicContact CG1-CD2 4.02Å; V777-L830 HydrophobicContact CG1-CG 4.32Å; V778-L830 WeakPolarHBondContact O-CA 3.46Å; T779-L830 HydrophobicContact CG2-CD2 3.86Å; I795-L830 HydrophobicContact CD1-CD1 4.08Å; I795-L830 HydrophobicContact CD1-CD2 4.08Å
831	L	98.7	Very high	97.3	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122	175	-53.1	-177.5	0	0	0	109.8	A693 V694 E695 V777 V778 L847 V851	A693-L831 HydrophobicContact CB-CB 4.24Å; V694-L831 CarbonylContact O-C 3.59Å; V694-L831 WeakPolarHBondContact O-CA 3.4Å; E695-L831 HydrophobicContact CB-CD2 3.59Å; E695-L831 HydrophobicContact CG-CD2 3.72Å; V777-L831 WeakPolarHBondContact CA-O 3.43Å; V778-L831 HydrophobicContact CB-CB 4.23Å; V778-L831 PolarHBondContact N-O 2.84Å; V778-L831 PolarHBondContact O-N 2.61Å; L831-L847 HydrophobicContact CB-CD2 4.05Å; L831-L847 HydrophobicContact CD1-CD1 3.69Å; L831-L847 HydrophobicContact CD1-CD2 4.4Å; L831-L847 HydrophobicContact CD1-CG 4.1Å; L831-V851 HydrophobicContact CD1-CG2 3.47Å; L831-V851 VanDerWaalsContact CD1-CG2 3.47Å; L831-V851 HydrophobicContact CG-CG2 4.43Å
832	L	98.6	Very high	97.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.4	-179.2	-52.4	-173.3	0	0	0	110.9	L620 A693 V694 L696 L717 L775 T776 V777	L620-L832 HydrophobicContact CD2-CD1 4.13Å; A693-L832 CarbonylContact C-O 3.59Å; A693-L832 WeakPolarHBondContact CA-O 3.36Å; A693-L832 WeakPolarHBondContact CB-O 3.44Å; V694-L832 HydrophobicContact CB-CB 4.27Å; V694-L832 PolarHBondContact N-O 3.4Å; V694-L832 PolarHBondContact O-N 3.19Å; L696-L832 HydrophobicContact CD1-CD1 3.69Å; L696-L832 HydrophobicContact CD1-CD2 4.47Å; L696-L832 HydrophobicContact CD1-CG 4.12Å; L696-L832 HydrophobicContact CG-CD1 4.13Å; L696-L832 HydrophobicContact CG-CG 4.29Å; L717-L832 HydrophobicContact CD1-CD2 3.82Å; L717-L832 HydrophobicContact CD2-CD1 4.28Å; L775-L832 HydrophobicContact CD1-CB 4.42Å; T776-L832 WeakPolarHBondContact O-CA 3.48Å; V777-L832 HydrophobicContact CB-CD2 4.18Å; V777-L832 HydrophobicContact CG1-CD2 3.96Å; V777-L832 HydrophobicContact CG2-CD2 3.65Å
833	S	98.3	Very high	97.5	Very high	3 Å²	3	21 Å²	21	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.6	170.6	52.7	0	0	0	0	110.4	T776	T776-S833 PolarHBondContact N-O 3.1Å; T776-S833 PolarHBondContact O-N 3.32Å
834	L	98.6	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116	176.1	175	65.6	0	0	0	108.3	L609 N611 Q616 I618 D773 Q774	L609-L834 HydrophobicContact CD2-CB 3.81Å; L609-L834 HydrophobicContact CG-CB 4.18Å; L609-L834 HydrophobicContact CG-CD2 4.24Å; N611-L834 HydrophobicContact CB-CD2 4.46Å; N611-L834 PolarHBondContact ND2-O 2.97Å; Q616-L834 HydrophobicContact CB-CD2 3.99Å; Q616-L834 HydrophobicContact CB-CG 4.28Å; I618-L834 HydrophobicContact CD1-CD1 4.05Å; I618-L834 HydrophobicContact CG1-CD1 4.34Å; I618-L834 HydrophobicContact CG1-CD2 4.06Å; I618-L834 HydrophobicContact CG2-CD1 3.99Å; I618-L834 HydrophobicContact CG2-CD2 4.28Å; D773-L834 HydrophobicContact CB-CD1 4.25Å; Q774-L834 WeakPolarHBondContact O-CA 3.45Å
835	E	98.4	Very high	97.5	Very high	18 Å²	18	20 Å²	20	8%	0.084	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.3	-175.9	-67	-65.6	165.5	0	0	110.7	N611 Q616 Q774 A840 A843	N611-E835 PolarHBondContact ND2-OE1 2.84Å; Q616-E835 PolarHBondContact NE2-O 2.8Å; Q616-E835 VanDerWaalsContact OE1-C 3.25Å; Q774-E835 WeakPolarHBondContact CB-O 3.24Å; Q774-E835 PolarHBondContact N-O 2.76Å; Q774-E835 PolarHBondContact O-N 3.23Å; Q774-E835 VanDerWaalsContact O-N 3.08Å; E835-A840 HydrophobicContact CB-CB 3.79Å; E835-A843 HydrophobicContact CG-CB 3.82Å
836	P	97.9	Very high	97.4	Very high	37 Å²	37	20.2 Å²	20.2	24%	0.24	13%	0.125	C	C	.	.			trans	-65.8	139.8	167.2	-18.5	32.9	0	0	0	109.9	T614 Q616 A838 T839 A840	T614-P836 HydrophobicContact CG2-CG 4.17Å; Q616-P836 VanDerWaalsContact OE1-N 3.15Å; P836-A838 PolarHBondContact O-N 3.49Å; P836-T839 PolarHBondContact O-N 2.78Å; P836-T839 PolarHBondContact O-OG1 3.12Å; P836-A840 WeakPolarHBondContact O-CB 3.38Å; P836-A840 PolarHBondContact O-N 3.47Å
837	P	97.6	Very high	97.3	Very high	29 Å²	29	21.3 Å²	21.3	19%	0.188	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.7	-178.8	-29.5	32.4	0	0	0	114.9	K769 D770 T772 Q774 T839	K769-P837 HydrophobicContact CB-CG 4.44Å; K769-P837 HydrophobicContact CD-CB 4.08Å; K769-P837 HydrophobicContact CD-CG 4.34Å; D770-P837 VanDerWaalsContact O-CG 3.25Å; D770-P837 WeakPolarHBondContact O-CG 3.43Å; T772-P837 WeakPolarHBondContact O-CD 3.48Å; Q774-P837 HydrophobicContact CB-CG 4.29Å; P837-T839 VanDerWaalsContact C-N 3.3Å; P837-T839 PolarHBondContact O-N 2.85Å
838	A	96.3	Very high	97.3	Very high	73 Å²	73	20.2 Å²	20.2	60%	0.603	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.8	-178.1	0	0	0	0	0	114.8	P836	P836-A838 PolarHBondContact O-N 3.49Å
839	T	96	Very high	97.2	Very high	63 Å²	63	20.6 Å²	20.6	39%	0.387	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-3.3	-178.1	54.5	0	0	0	0	112.9	P836 P837 A841 D842	P836-T839 PolarHBondContact O-N 2.78Å; P836-T839 PolarHBondContact O-OG1 3.12Å; P837-T839 VanDerWaalsContact C-N 3.3Å; P837-T839 PolarHBondContact O-N 2.85Å; T839-A841 PolarHBondContact O-N 2.7Å; T839-D842 WeakPolarHBondContact O-CB 3.35Å; T839-D842 PolarHBondContact O-N 3.29Å
840	A	97.7	Very high	97.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-34.9	-176.2	0	0	0	0	0	113.2	Q774 E835 P836 D842 A843 H844	Q774-A840 HydrophobicContact CB-CB 4.2Å; Q774-A840 VanDerWaalsContact CD-CB 3.42Å; Q774-A840 HydrophobicContact CG-CB 4.1Å; Q774-A840 VanDerWaalsContact NE2-CB 3.27Å; E835-A840 HydrophobicContact CB-CB 3.79Å; P836-A840 WeakPolarHBondContact O-CB 3.38Å; P836-A840 PolarHBondContact O-N 3.47Å; A840-D842 VanDerWaalsContact C-N 3.27Å; A840-D842 PolarHBondContact O-N 2.86Å; A840-A843 PolarHBondContact O-N 3.13Å; A840-A843 VanDerWaalsContact O-N 3.11Å; A840-H844 VanDerWaalsContact C-CD2 3.41Å; A840-H844 PolarHBondContact O-CD2 3.09Å; A840-H844 PolarHBondContact O-N 2.79Å
841	A	97.4	Very high	97	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-34	176.4	0	0	0	0	0	113.2	T839 A843 H844 R845 F904 E908	T839-A841 PolarHBondContact O-N 2.7Å; A841-A843 PolarHBondContact O-N 2.69Å; A841-H844 VanDerWaalsContact CA-NE2 3.35Å; A841-H844 WeakPolarHBondContact CA-NE2 3.27Å; A841-R845 HydrophobicContact CB-CG 4.33Å; A841-R845 VanDerWaalsContact O-CB 3.25Å; A841-R845 WeakPolarHBondContact O-CB 3.43Å; A841-R845 WeakPolarHBondContact O-CG 3.48Å; A841-R845 PolarHBondContact O-N 3.06Å; A841-F904 HydrophobicContact CB-CD1 4Å; A841-F904 HydrophobicContact CB-CE1 3.87Å; A841-F904 WeakPolarHBondContact O-CE1 3.49Å; A841-E908 HydrophobicContact CB-CB 3.72Å; A841-E908 HydrophobicContact CB-CG 4.13Å
842	D	96.5	Very high	96.8	Very high	51 Å²	51	21.1 Å²	21.1	27%	0.273	13%	0.133	S	C	.	.	H	α-helix	trans	-66.7	-21.7	178.1	-63.2	-50.4	0	0	0	112.2	T839 A840 P846 F904 S909 S912	T839-D842 WeakPolarHBondContact O-CB 3.35Å; T839-D842 PolarHBondContact O-N 3.29Å; A840-D842 VanDerWaalsContact C-N 3.27Å; A840-D842 PolarHBondContact O-N 2.86Å; D842-P846 VanDerWaalsContact O-CD 3.28Å; D842-P846 WeakPolarHBondContact O-CD 3.5Å; D842-P846 WeakPolarHBondContact O-CG 3.2Å; D842-F904 WeakPolarHBondContact OD1-CE1 3.49Å; D842-S909 VanDerWaalsContact CG-OG 3.22Å; D842-S909 WeakPolarHBondContact OD1-CB 3.4Å; D842-S909 PolarHBondContact OD1-OG 3.09Å; D842-S909 PolarHBondContact OD2-OG 3.42Å; D842-S912 WeakPolarHBondContact OD1-CB 3.39Å; D842-S912 PolarHBondContact OD1-OG 2.76Å
843	A	95.6	Very high	96.6	Very high	27 Å²	27	21.6 Å²	21.6	22%	0.223	14%	0.136	C	C	.	.	H	α-helix	trans	-92.1	-51.7	174.1	0	0	0	0	0	112.2	E835 A840 A841 P846 L847	E835-A843 HydrophobicContact CG-CB 3.82Å; A840-A843 PolarHBondContact O-N 3.13Å; A840-A843 VanDerWaalsContact O-N 3.11Å; A841-A843 PolarHBondContact O-N 2.69Å; A843-P846 WeakPolarHBondContact O-CD 3.49Å; A843-L847 WeakPolarHBondContact O-CB 3.33Å; A843-L847 PolarHBondContact O-N 2.92Å
844	H	96.9	Very high	96.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-78.4	-28.2	-170.1	71.3	63.3	0	0	0	114.1	R765 T776 A840 A841 A848 E908	R765-H844 VanDerWaalsContact CD-ND1 3.31Å; R765-H844 WeakPolarHBondContact CD-ND1 3.44Å; R765-H844 PolarHBondContact NE-CE1 2.87Å; R765-H844 PolarHBondContact NE-ND1 3.45Å; T776-H844 HydrophobicContact CG2-CB 3.61Å; A840-H844 VanDerWaalsContact C-CD2 3.41Å; A840-H844 PolarHBondContact O-CD2 3.09Å; A840-H844 PolarHBondContact O-N 2.79Å; A841-H844 VanDerWaalsContact CA-NE2 3.35Å; A841-H844 WeakPolarHBondContact CA-NE2 3.27Å; H844-A848 VanDerWaalsContact O-CB 3.26Å; H844-A848 WeakPolarHBondContact O-CB 3.29Å; H844-A848 PolarHBondContact O-N 3.19Å; H844-E908 IonicContact CE1-OE1 3.92Å
845	R	96.6	Very high	96.4	Very high	9 Å²	9	23.4 Å²	23.4	3%	0.034	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-51.3	177.3	-64.4	-77.7	-173	167.1	-13.6	110.2	R734 A841 L847 A848 Q849 Q903 F904 E908	R734-R845 PolarHBondContact O-NH1 2.88Å; R734-R845 PolarHBondContact O-NH2 3.41Å; A841-R845 HydrophobicContact CB-CG 4.33Å; A841-R845 VanDerWaalsContact O-CB 3.25Å; A841-R845 WeakPolarHBondContact O-CB 3.43Å; A841-R845 WeakPolarHBondContact O-CG 3.48Å; A841-R845 PolarHBondContact O-N 3.06Å; R845-L847 VanDerWaalsContact C-N 3.33Å; R845-L847 PolarHBondContact O-N 3.45Å; R845-A848 PolarHBondContact O-N 2.91Å; R845-Q849 PolarHBondContact O-N 3.11Å; R845-Q849 VanDerWaalsContact O-N 3.14Å; R845-Q903 HydrophobicContact CB-CG 4.41Å; R845-Q903 WeakPolarHBondContact CD-O 3.42Å; R845-Q903 VanDerWaalsContact CZ-O 3.26Å; R845-Q903 PolarHBondContact NE-O 3.38Å; R845-Q903 PolarHBondContact NH1-O 3.44Å; R845-F904 HydrophobicContact CB-CE1 4.21Å; R845-F904 HydrophobicContact CB-CE2 4.2Å; R845-F904 HydrophobicContact CB-CZ 3.89Å; R845-F904 HydrophobicContact CG-CD1 4.12Å; R845-F904 HydrophobicContact CG-CE1 3.92Å; R845-F904 HydrophobicContact CG-CE2 4.49Å; R845-F904 HydrophobicContact CG-CZ 4.1Å; R845-E908 IonicContact CZ-OE1 3.76Å; R845-E908 VanDerWaalsContact CZ-OE1 3.24Å; R845-E908 IonicContact CZ-OE2 3.86Å; R845-E908 IonicContact NE-OE1 3.69Å; R845-E908 PolarHBondContact NE-OE1 3.45Å; R845-E908 IonicContact NE-OE2 2.77Å; R845-E908 PolarHBondContact NE-OE2 3.22Å; R845-E908 IonicContact NH2-OE1 2.98Å; R845-E908 PolarHBondContact NH2-OE1 2.57Å; R845-E908 IonicContact NH2-OE2 2.81Å; R845-E908 PolarHBondContact NH2-OE2 3.22Å
846	P	95.3	Very high	96.4	Very high	23 Å²	23	23.8 Å²	23.8	15%	0.149	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-36.8	176.1	-26.6	38.2	0	0	0	114.5	R504 D842 A843 Q849 Q850	R504-P846 PolarHBondContact NH2-O 3.17Å; R504-P846 VanDerWaalsContact NH2-O 3.15Å; D842-P846 VanDerWaalsContact O-CD 3.28Å; D842-P846 WeakPolarHBondContact O-CD 3.5Å; D842-P846 WeakPolarHBondContact O-CG 3.2Å; A843-P846 WeakPolarHBondContact O-CD 3.49Å; P846-Q849 PolarHBondContact O-N 3.04Å; P846-Q850 WeakPolarHBondContact O-CG 3.39Å; P846-Q850 PolarHBondContact O-N 3.32Å
847	L	96.4	Very high	96.4	Very high	26 Å²	26	23.3 Å²	23.3	14%	0.136	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-47.4	178.7	-176.1	62.9	0	0	0	111.7	A693 V778 L831 A843 R845 Q849 Q850 V851	A693-L847 HydrophobicContact CB-CD1 4.43Å; A693-L847 HydrophobicContact CB-CD2 3.77Å; V778-L847 HydrophobicContact CB-CD2 4.47Å; V778-L847 HydrophobicContact CG2-CD2 3.97Å; V778-L847 HydrophobicContact CG2-CG 4.16Å; L831-L847 HydrophobicContact CB-CD2 4.05Å; L831-L847 HydrophobicContact CD1-CD1 3.69Å; L831-L847 HydrophobicContact CD1-CD2 4.4Å; L831-L847 HydrophobicContact CD1-CG 4.1Å; A843-L847 WeakPolarHBondContact O-CB 3.33Å; A843-L847 PolarHBondContact O-N 2.92Å; R845-L847 VanDerWaalsContact C-N 3.33Å; R845-L847 PolarHBondContact O-N 3.45Å; L847-Q849 VanDerWaalsContact C-N 3.29Å; L847-Q849 PolarHBondContact O-N 3.43Å; L847-Q850 WeakPolarHBondContact O-CB 3.46Å; L847-Q850 PolarHBondContact O-N 3.44Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.93Å; L847-V851 VanDerWaalsContact O-N 3.07Å
848	A	97.1	Very high	96.3	Very high	4 Å²	4	22 Å²	22	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-42.9	176.5	0	0	0	0	0	111.5	V778 H844 R845 Q850 V851 V852	V778-A848 HydrophobicContact CG1-CB 4.17Å; V778-A848 HydrophobicContact CG2-CB 4.3Å; H844-A848 VanDerWaalsContact O-CB 3.26Å; H844-A848 WeakPolarHBondContact O-CB 3.29Å; H844-A848 PolarHBondContact O-N 3.19Å; R845-A848 PolarHBondContact O-N 2.91Å; A848-Q850 PolarHBondContact O-N 2.64Å; A848-V851 PolarHBondContact O-N 3.26Å; A848-V851 VanDerWaalsContact O-N 3.12Å; A848-V852 WeakPolarHBondContact O-CG2 3.49Å; A848-V852 PolarHBondContact O-N 3.27Å
849	Q	95.6	Very high	96.4	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-39.8	176.9	-165.2	-171.8	-6	0	0	112.5	L502 R845 P846 L847 V851 V852 S853 H884	L502-Q849 HydrophobicContact CD2-CG 3.84Å; R845-Q849 PolarHBondContact O-N 3.11Å; R845-Q849 VanDerWaalsContact O-N 3.14Å; P846-Q849 PolarHBondContact O-N 3.04Å; L847-Q849 VanDerWaalsContact C-N 3.29Å; L847-Q849 PolarHBondContact O-N 3.43Å; Q849-V851 VanDerWaalsContact C-N 3.28Å; Q849-V851 PolarHBondContact O-N 2.82Å; Q849-V852 PolarHBondContact O-N 3.09Å; Q849-S853 PolarHBondContact O-N 2.7Å; Q849-H884 PolarHBondContact NE2-CD2 3.3Å; Q849-H884 PolarHBondContact NE2-CE1 3.2Å; Q849-H884 PolarHBondContact NE2-ND1 3.18Å; Q849-H884 PolarHBondContact NE2-NE2 2.93Å
850	Q	95.3	Very high	96.5	Very high	46 Å²	46	16.2 Å²	16.2	22%	0.215	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-31.9	174	-74.2	172.5	3.3	0	0	112.8	L502 V506 W508 P846 L847 A848 S853 Q854	L502-Q850 HydrophobicContact CD1-CB 4.43Å; L502-Q850 HydrophobicContact CD1-CG 3.65Å; V506-Q850 HydrophobicContact CG1-CG 4.46Å; V506-Q850 HydrophobicContact CG2-CG 4.34Å; W508-Q850 HydrophobicContact CZ3-CB 4.42Å; W508-Q850 WeakPolarHBondContact CZ3-O 3.1Å; P846-Q850 WeakPolarHBondContact O-CG 3.39Å; P846-Q850 PolarHBondContact O-N 3.32Å; L847-Q850 WeakPolarHBondContact O-CB 3.46Å; L847-Q850 PolarHBondContact O-N 3.44Å; A848-Q850 PolarHBondContact O-N 2.64Å; Q850-S853 CarbonylContact O-C 3.59Å; Q850-Q854 WeakPolarHBondContact O-CA 2.99Å; Q850-Q854 PolarHBondContact O-N 3.19Å
851	V	96.1	Very high	96.4	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-76	-39.2	177.6	173.3	0	0	0	0	111.8	V778 T779 D780 L831 L847 A848 Q849	V778-V851 HydrophobicContact CG1-CB 4.06Å; V778-V851 HydrophobicContact CG1-CG1 4.38Å; V778-V851 HydrophobicContact CG1-CG2 3.81Å; T779-V851 WeakPolarHBondContact O-CG1 3Å; D780-V851 HydrophobicContact CB-CG1 4.15Å; L831-V851 HydrophobicContact CD1-CG2 3.47Å; L831-V851 VanDerWaalsContact CD1-CG2 3.47Å; L831-V851 HydrophobicContact CG-CG2 4.43Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.93Å; L847-V851 VanDerWaalsContact O-N 3.07Å; A848-V851 PolarHBondContact O-N 3.26Å; A848-V851 VanDerWaalsContact O-N 3.12Å; Q849-V851 VanDerWaalsContact C-N 3.28Å; Q849-V851 PolarHBondContact O-N 2.82Å
852	V	95.1	Very high	96.2	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.067	13%	0.125	C	C	.	.	H	α-helix	trans	-72.3	-42.4	178.1	172.1	0	0	0	0	111.6	S391 A848 Q849	S391-V852 WeakPolarHBondContact CB-O 3.47Å; S391-V852 PolarHBondContact OG-O 2.63Å; A848-V852 WeakPolarHBondContact O-CG2 3.49Å; A848-V852 PolarHBondContact O-N 3.27Å; Q849-V852 PolarHBondContact O-N 3.09Å
853	S	95.1	Very high	95.8	Very high	10 Å²	10	24.2 Å²	24.2	7%	0.07	14%	0.138	C	C	.	.	S	Bend	trans	-114	68.5	-180	-59	0	0	0	0	110.4	S391 P501 Q849 Q850	S391-S853 WeakPolarHBondContact OG-CA 3.49Å; P501-S853 WeakPolarHBondContact CG-O 3.47Å; Q849-S853 PolarHBondContact O-N 2.7Å; Q850-S853 CarbonylContact O-C 3.59Å
854	Q	95.1	Very high	95.5	Very high	32 Å²	32	24.7 Å²	24.7	15%	0.15	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-70	149.1	-177.9	64	-177.8	17.7	0	0	111.7	R384 S391 W508 Q850	R384-Q854 VanDerWaalsContact NH2-OE1 3.08Å; S391-Q854 PolarHBondContact OG-N 2.89Å; S391-Q854 VanDerWaalsContact OG-N 3.12Å; S391-Q854 PolarHBondContact OG-O 2.91Å; W508-Q854 HydrophobicContact CH2-CB 3.66Å; W508-Q854 HydrophobicContact CZ2-CB 3.88Å; W508-Q854 HydrophobicContact CZ3-CB 4.43Å; Q850-Q854 WeakPolarHBondContact O-CA 2.99Å; Q850-Q854 PolarHBondContact O-N 3.19Å
855	P	96.9	Very high	95.1	Very high	10 Å²	10	29 Å²	29	7%	0.065	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-57.8	138.8	174.1	-25.6	35.6	0	0	0	112.9	V498 Y499 V506 W508	V498-P855 HydrophobicContact CG1-CB 3.84Å; Y499-P855 CarbonylContact O-C 3.58Å; Y499-P855 WeakPolarHBondContact O-CA 3.37Å; Y499-P855 WeakPolarHBondContact O-CB 3.47Å; V506-P855 HydrophobicContact CG1-CG 4.24Å; W508-P855 HydrophobicContact CB-CG 4.03Å; W508-P855 HydrophobicContact CD2-CG 3.83Å; W508-P855 HydrophobicContact CE3-CG 4Å; W508-P855 HydrophobicContact CG-CG 3.84Å
856	L	97.4	Very high	94.7	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.3	174.5	-179.8	67.8	0	0	0	109.6	V460 Y476 Y499	V460-L856 HydrophobicContact CG1-CD2 3.68Å; V460-L856 HydrophobicContact CG2-CD2 4.18Å; Y476-L856 HydrophobicContact CE1-CD2 4.43Å; Y499-L856 PolarHBondContact N-O 3.05Å; Y499-L856 PolarHBondContact O-N 3.1Å
857	L	97.8	Very high	94.5	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.8	178.5	-50.8	-176.3	0	0	0	109.9	L480 L496 V498 V510 F859	L480-L857 HydrophobicContact CD1-CD1 3.99Å; L496-L857 HydrophobicContact CD1-CB 4.02Å; L496-L857 HydrophobicContact CD1-CD2 4.2Å; V498-L857 HydrophobicContact CB-CD2 4.29Å; V498-L857 HydrophobicContact CG1-CD2 3.92Å; V498-L857 HydrophobicContact CG2-CD2 3.96Å; V510-L857 HydrophobicContact CG2-CD1 4.47Å; V510-L857 HydrophobicContact CG2-CD2 4.47Å; L857-F859 HydrophobicContact CB-CE2 4.27Å; L857-F859 HydrophobicContact CB-CZ 4.31Å
858	S	97.2	Very high	94.4	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.1	169.7	62.4	0	0	0	0	110	S497	S497-S858 PolarHBondContact N-O 2.91Å; S497-S858 PolarHBondContact O-N 2.84Å
859	F	97.9	Very high	94.4	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.6	-172	-53.2	-95.4	0	0	0	111.3	R474 I475 C477 L480 L487 T488 F494 S495 L496 L512 L857	R474-F859 CarbonylContact C-O 3.58Å; R474-F859 WeakPolarHBondContact CA-O 3.15Å; I475-F859 PolarHBondContact N-O 2.93Å; I475-F859 WeakPolarHBondContact O-CD2 3.22Å; I475-F859 PolarHBondContact O-N 2.88Å; C477-F859 HydrophobicContact CB-CE2 4Å; L480-F859 HydrophobicContact CD1-CZ 4.48Å; L487-F859 HydrophobicContact CD2-CB 3.43Å; L487-F859 VanDerWaalsContact CD2-CB 3.43Å; L487-F859 HydrophobicContact CD2-CG 4.4Å; T488-F859 HydrophobicContact CG2-CD1 4.03Å; T488-F859 HydrophobicContact CG2-CE1 3.98Å; F494-F859 HydrophobicContact CD2-CD1 4.22Å; F494-F859 HydrophobicContact CE2-CD1 4.32Å; S495-F859 CarbonylContact O-C 3.5Å; S495-F859 VanDerWaalsContact O-CA 3.27Å; S495-F859 WeakPolarHBondContact O-CA 3.29Å; L496-F859 HydrophobicContact CB-CD1 4.24Å; L496-F859 HydrophobicContact CB-CE1 4.3Å; L496-F859 HydrophobicContact CD1-CD1 3.95Å; L496-F859 HydrophobicContact CD1-CE1 3.52Å; L496-F859 HydrophobicContact CD1-CZ 3.86Å; L496-F859 HydrophobicContact CG-CE1 4.39Å; L512-F859 HydrophobicContact CD1-CE1 3.94Å; L512-F859 HydrophobicContact CD2-CE1 3.61Å; L512-F859 HydrophobicContact CD2-CZ 3.58Å; L512-F859 HydrophobicContact CG-CE1 4.43Å; L857-F859 HydrophobicContact CB-CE2 4.27Å; L857-F859 HydrophobicContact CB-CZ 4.31Å
860	T	96.8	Very high	94.4	Very high	12 Å²	12	48 Å²	48	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.7	170.5	62.9	0	0	0	0	108.7	A472 E473 R474 F494 S495 L864	A472-T860 HydrophobicContact CB-CG2 4.01Å; E473-T860 WeakPolarHBondContact O-CG2 3.34Å; R474-T860 HydrophobicContact CG-CG2 4.15Å; F494-T860 WeakPolarHBondContact CA-O 3.08Å; F494-T860 WeakPolarHBondContact CB-O 3.16Å; S495-T860 WeakPolarHBondContact CB-OG1 3.45Å; S495-T860 PolarHBondContact N-O 3.07Å; S495-T860 PolarHBondContact O-N 2.67Å; T860-L864 HydrophobicContact CG2-CD2 4.33Å; T860-L864 WeakPolarHBondContact OG1-CD2 3.44Å
861	D	96.5	Very high	94.5	Very high	100 Å²	100	49.7 Å²	49.7	54%	0.535	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.4	176.7	-166.4	29.6	0	0	0	111.5	L487 S491	L487-D861 HydrophobicContact CD1-CB 3.66Å; S491-D861 WeakPolarHBondContact CB-OD1 3.2Å; S491-D861 PolarHBondContact OG-OD1 3.36Å
862	G	93.5	Very high	94.5	Very high	21 Å²	21	49.9 Å²	49.9	22%	0.216	27%	0.267	C	S	.	.	S	Bend	trans	67.8	-156	179.8	0	0	0	0	0	115.6	K493 S495	K493-G862 VanDerWaalsContact O-CA 3.24Å; K493-G862 WeakPolarHBondContact O-CA 3.4Å; K493-G862 PolarHBondContact O-N 2.93Å; S495-G862 PolarHBondContact OG-O 3.47Å
863	D	87.2	Confident	94.6	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-82.5	141.9	178.6	-74.9	-52.7	0	0	0	112.1	K493	K493-D863 VanDerWaalsContact CE-CG 3.48Å; K493-D863 WeakPolarHBondContact CE-OD1 3.33Å; K493-D863 WeakPolarHBondContact CE-OD2 3.04Å; K493-D863 IonicContact NZ-OD1 2.69Å; K493-D863 PolarHBondContact NZ-OD1 2.85Å; K493-D863 IonicContact NZ-OD2 3.24Å; K493-D863 PolarHBondContact NZ-OD2 3.4Å
864	L	89.9	Confident	94.7	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.188	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-71.4	149.2	165.1	-65.8	172.3	0	0	0	110.2	T860 T868 L870	T860-L864 HydrophobicContact CG2-CD2 4.33Å; T860-L864 WeakPolarHBondContact OG1-CD2 3.44Å; L864-T868 HydrophobicContact CB-CG2 4.29Å; L864-T868 HydrophobicContact CD1-CG2 4.17Å; L864-T868 HydrophobicContact CD2-CG2 4.47Å; L864-L870 HydrophobicContact CD1-CD2 3.62Å
865	N	89.3	Confident	94.7	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-57.4	139.5	173.8	-174.2	-53.3	0	0	0	109.7	N867 T868	N865-N867 PolarHBondContact O-N 3.01Å; N865-N867 PolarHBondContact OD1-N 3.13Å; N865-T868 PolarHBondContact N-OG1 3.22Å; N865-T868 WeakPolarHBondContact O-CB 3.3Å; N865-T868 PolarHBondContact O-N 3.05Å; N865-T868 PolarHBondContact O-OG1 3.45Å
866	P	87.7	Confident	94.6	Very high	126 Å²	126	53.7 Å²	53.7	82%	0.818	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.1	178.6	-29.5	35.3	0	0	0	115.5	T868	P866-T868 VanDerWaalsContact C-N 3.29Å
867	N	90.6	Very high	94.5	Very high	147 Å²	147	55.8 Å²	55.8	79%	0.786	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.7	178	-64.3	-24	0	0	0	113.6	N865 R869	N865-N867 PolarHBondContact O-N 3.01Å; N865-N867 PolarHBondContact OD1-N 3.13Å; N867-R869 PolarHBondContact O-N 3.3Å
868	T	94.6	Very high	94.4	Very high	11 Å²	11	58 Å²	58	7%	0.067	32%	0.324	C	S	.	.			trans	-68.3	129	-179.5	-54.7	0	0	0	0	110.1	T468 L864 N865 P866 L870	T468-T868 WeakPolarHBondContact O-CA 3.42Å; L864-T868 HydrophobicContact CB-CG2 4.29Å; L864-T868 HydrophobicContact CD1-CG2 4.17Å; L864-T868 HydrophobicContact CD2-CG2 4.47Å; N865-T868 PolarHBondContact N-OG1 3.22Å; N865-T868 WeakPolarHBondContact O-CB 3.3Å; N865-T868 PolarHBondContact O-N 3.05Å; N865-T868 PolarHBondContact O-OG1 3.45Å; P866-T868 VanDerWaalsContact C-N 3.29Å; T868-L870 HydrophobicContact CG2-CD2 4.18Å; T868-L870 PolarHBondContact O-N 2.83Å
869	R	96.2	Very high	94.4	Very high	131 Å²	131	58.4 Å²	58.4	49%	0.494	33%	0.326	S	S	.	.			trans	-73.1	108	172	-177.3	-178.8	-177.1	167.6	5.4	110	T468 Y565 N867 E871	T468-R869 PolarHBondContact O-N 3.43Å; Y565-R869 WeakPolarHBondContact CE2-O 3.46Å; Y565-R869 PolarHBondContact OH-O 3.41Å; N867-R869 PolarHBondContact O-N 3.3Å; R869-E871 VanDerWaalsContact CG-O 3.31Å; R869-E871 WeakPolarHBondContact CG-O 3.34Å; R869-E871 PolarHBondContact NE-O 3.01Å
870	L	96.6	Very high	94.2	Very high	60 Å²	60	60.7 Å²	60.7	31%	0.314	34%	0.341	S	S	.	.			trans	-82.2	-17.2	-174.6	-57	-178.9	0	0	0	114.4	A524 S566 S567 L864 T868	A524-L870 HydrophobicContact CB-CB 3.63Å; A524-L870 WeakPolarHBondContact O-CD1 3.38Å; S566-L870 CarbonylContact C-O 3.4Å; S566-L870 WeakPolarHBondContact CA-O 3.49Å; S567-L870 PolarHBondContact N-O 2.6Å; L864-L870 HydrophobicContact CD1-CD2 3.62Å; T868-L870 HydrophobicContact CG2-CD2 4.18Å; T868-L870 PolarHBondContact O-N 2.83Å
871	E	96.6	Very high	93.9	Very high	80 Å²	80	64 Å²	64	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.7	176.2	-80.4	-172.3	159.7	0	0	113.3	A524 Q525 Y565 S566 R869	A524-E871 HydrophobicContact CB-CG 3.52Å; Q525-E871 PolarHBondContact NE2-OE1 3Å; Q525-E871 PolarHBondContact NE2-OE2 2.55Å; Y565-E871 WeakPolarHBondContact O-CA 3.25Å; S566-E871 PolarHBondContact OG-OE1 3.08Å; R869-E871 VanDerWaalsContact CG-O 3.31Å; R869-E871 WeakPolarHBondContact CG-O 3.34Å; R869-E871 PolarHBondContact NE-O 3.01Å
872	F	97	Very high	93.9	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.5	178.5	167.8	-97.1	0	0	0	110.6	L402 L467 P561 G564 Y565 T926	L402-F872 HydrophobicContact CD1-CE1 4.35Å; L467-F872 HydrophobicContact CD1-CD1 4.32Å; L467-F872 HydrophobicContact CD1-CE1 4.1Å; L467-F872 HydrophobicContact CD2-CD2 4.43Å; L467-F872 HydrophobicContact CD2-CE1 4.34Å; L467-F872 HydrophobicContact CD2-CE2 4.02Å; L467-F872 HydrophobicContact CD2-CZ 3.97Å; P561-F872 WeakPolarHBondContact CG-O 3.2Å; G564-F872 CarbonylContact C-O 3.6Å; G564-F872 WeakPolarHBondContact CA-O 3.1Å; Y565-F872 HydrophobicContact CD1-CB 3.86Å; Y565-F872 HydrophobicContact CD1-CD1 4.08Å; Y565-F872 HydrophobicContact CD1-CG 4.38Å; Y565-F872 HydrophobicContact CE1-CB 3.37Å; Y565-F872 HydrophobicContact CE1-CD1 4.02Å; Y565-F872 AromaticContact CE1-CG 3.95Å; Y565-F872 HydrophobicContact CE1-CG 3.95Å; Y565-F872 HydrophobicContact CE2-CB 4.35Å; Y565-F872 PolarHBondContact N-O 2.82Å; Y565-F872 PolarHBondContact O-N 3.42Å; F872-T926 HydrophobicContact CE2-CG2 3.52Å; F872-T926 HydrophobicContact CZ-CG2 3.43Å; F872-T926 VanDerWaalsContact CZ-CG2 3.43Å
873	S	97	Very high	94.1	Very high	33 Å²	33	58.7 Å²	58.7	23%	0.231	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.3	167.7	-173	0	0	0	0	109.5	P562 L875 S925	P562-S873 PolarHBondContact O-OG 3.11Å; S873-L875 VanDerWaalsContact C-N 3.27Å; S873-L875 PolarHBondContact OG-O 3.21Å; S873-S925 PolarHBondContact O-OG 3.37Å
874	G	96.1	Very high	94.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-76.2	-14.3	175.3	0	0	0	0	0	113.5	L563 F924 S925	L563-G874 WeakPolarHBondContact O-CA 3.3Å; L563-G874 PolarHBondContact O-N 3.33Å; G874-F924 CarbonylContact O-C 3.2Å; G874-F924 WeakPolarHBondContact O-CA 3.3Å; G874-S925 WeakPolarHBondContact CA-OG 3.28Å; G874-S925 PolarHBondContact O-N 3.01Å; G874-S925 PolarHBondContact O-OG 3.41Å
875	L	96.6	Very high	95	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-104.6	146.3	176.2	-64.7	177.3	0	0	0	111.1	P562 L563 S873 A877 L879 L923 F924	P562-L875 HydrophobicContact CB-CB 4.4Å; P562-L875 HydrophobicContact CB-CD1 3.96Å; L563-L875 HydrophobicContact CB-CD1 4.07Å; L563-L875 HydrophobicContact CB-CG 3.79Å; L563-L875 HydrophobicContact CD2-CD2 3.89Å; L563-L875 HydrophobicContact CD2-CG 3.91Å; S873-L875 VanDerWaalsContact C-N 3.27Å; S873-L875 PolarHBondContact OG-O 3.21Å; L875-A877 VanDerWaalsContact C-N 3.31Å; L875-A877 WeakPolarHBondContact CB-O 3.46Å; L875-L879 HydrophobicContact CD1-CG 4.14Å; L875-L923 WeakPolarHBondContact CA-O 3.43Å; L875-L923 HydrophobicContact CD2-CD1 3.75Å; L875-L923 HydrophobicContact CD2-CG 3.82Å; L875-L923 WeakPolarHBondContact CD2-O 3.1Å; L875-F924 HydrophobicContact CD2-CD1 3.88Å; L875-F924 HydrophobicContact CD2-CE1 3.84Å
876	Q	94.8	Very high	95.4	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.481	28%	0.277	S	S	.	.	S	Bend	trans	-73.1	-27.4	173.9	-58.9	-173.1	14.1	0	0	112.2	K922 L923 F924	Q876-K922 WeakPolarHBondContact CB-O 3.44Å; Q876-K922 WeakPolarHBondContact CG-O 3.3Å; Q876-K922 PolarHBondContact OE1-O 2.69Å; Q876-K922 VanDerWaalsContact OE1-O 3.13Å; Q876-L923 PolarHBondContact N-O 2.93Å; Q876-F924 WeakPolarHBondContact CG-O 3.49Å; Q876-F924 PolarHBondContact NE2-O 3.32Å
877	A	94.6	Very high	95.9	Very high	69 Å²	69	42.9 Å²	42.9	57%	0.57	24%	0.239	S	C	*	.	S	Bend	trans	-149.3	160.9	176	0	0	0	0	0	110.7	L875	L875-A877 VanDerWaalsContact C-N 3.31Å; L875-A877 WeakPolarHBondContact CB-O 3.46Å
878	S	96	Very high	96.3	Very high	73 Å²	73	35.9 Å²	35.9	51%	0.51	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-65.8	139.2	172.2	-62	0	0	0	0	110.2	P562	P562-S878 WeakPolarHBondContact CG-OG 3.09Å
879	L	96.2	Very high	96.4	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-65.8	147.5	170.1	-70	-179.6	0	0	0	110.4	G503 L875 V883 L885 L900 V918 L923	G503-L879 PolarHBondContact O-N 3.13Å; L875-L879 HydrophobicContact CD1-CG 4.14Å; L879-V883 HydrophobicContact CB-CB 4.41Å; L879-V883 HydrophobicContact CD1-CG1 4.14Å; L879-V883 HydrophobicContact CD2-CG1 4.47Å; L879-L885 HydrophobicContact CD1-CB 3.92Å; L879-L900 HydrophobicContact CD1-CD2 4.4Å; L879-V918 HydrophobicContact CD2-CG1 4.25Å; L879-L923 HydrophobicContact CD2-CD1 3.68Å
880	P	94.6	Very high	96.3	Very high	49 Å²	49	30.2 Å²	30.2	32%	0.318	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-55.7	149.2	173.3	-27.2	37.8	0	0	0	111.7	A882 V883 V916	P880-A882 PolarHBondContact O-N 3.32Å; P880-V883 HydrophobicContact CB-CG2 4.26Å; P880-V883 HydrophobicContact CG-CG2 4.41Å; P880-V883 PolarHBondContact O-N 3.11Å; P880-V916 HydrophobicContact CB-CG1 3.83Å; P880-V916 HydrophobicContact CG-CG1 3.63Å
881	P	91	Very high	96.2	Very high	82 Å²	82	29 Å²	29	53%	0.532	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.7	-176	-28.7	35.6	0	0	0	114.8	V883 Q903	P881-V883 VanDerWaalsContact C-N 3.32Å; P881-Q903 PolarHBondContact O-NE2 3.11Å
882	A	96.1	Very high	96	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.9	178.2	0	0	0	0	0	114.1	P880 H902 Q903 F904 S912 V916	P880-A882 PolarHBondContact O-N 3.32Å; A882-H902 CarbonylContact O-C 3.51Å; A882-H902 WeakPolarHBondContact O-CA 3.49Å; A882-Q903 PolarHBondContact O-N 2.99Å; A882-F904 HydrophobicContact CB-CD2 4.05Å; A882-F904 HydrophobicContact CB-CE2 4.37Å; A882-S912 WeakPolarHBondContact CB-O 3.1Å; A882-V916 HydrophobicContact CB-CG2 4.06Å
883	V	97.4	Very high	95.5	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128	-175.3	-177	0	0	0	0	110.8	L879 P880 P881 L900 E901 V916 V918 L974	L879-V883 HydrophobicContact CB-CB 4.41Å; L879-V883 HydrophobicContact CD1-CG1 4.14Å; L879-V883 HydrophobicContact CD2-CG1 4.47Å; P880-V883 HydrophobicContact CB-CG2 4.26Å; P880-V883 HydrophobicContact CG-CG2 4.41Å; P880-V883 PolarHBondContact O-N 3.11Å; P881-V883 VanDerWaalsContact C-N 3.32Å; V883-L900 HydrophobicContact CG1-CB 4.44Å; V883-L900 HydrophobicContact CG1-CD2 4.47Å; V883-E901 CarbonylContact C-O 3.21Å; V883-E901 VanDerWaalsContact CA-O 3.3Å; V883-E901 WeakPolarHBondContact CA-O 3.33Å; V883-V916 HydrophobicContact CG2-CB 3.91Å; V883-V916 HydrophobicContact CG2-CG1 3.64Å; V883-V916 HydrophobicContact CG2-CG2 4.42Å; V883-V918 HydrophobicContact CG1-CG2 4.32Å; V883-V918 HydrophobicContact CG2-CG2 4.15Å; V883-L974 HydrophobicContact CG1-CD1 3.81Å; V883-L974 HydrophobicContact CG2-CD1 4.09Å
884	H	97.4	Very high	95.2	Very high	15 Å²	15	40 Å²	40	7%	0.069	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.1	169.8	175.4	16.9	0	0	0	110.5	Q849 L886 L900 E901	Q849-H884 PolarHBondContact NE2-CD2 3.3Å; Q849-H884 PolarHBondContact NE2-CE1 3.2Å; Q849-H884 PolarHBondContact NE2-ND1 3.18Å; Q849-H884 PolarHBondContact NE2-NE2 2.93Å; H884-L886 PolarHBondContact O-N 3Å; H884-L886 VanDerWaalsContact O-N 3.11Å; H884-L900 WeakPolarHBondContact O-CA 3.39Å; H884-E901 HydrophobicContact CB-CG 3.73Å; H884-E901 IonicContact CD2-OE1 2.69Å; H884-E901 PolarHBondContact CD2-OE1 3.06Å; H884-E901 IonicContact CG-OE1 2.72Å; H884-E901 PolarHBondContact N-O 2.91Å; H884-E901 PolarHBondContact O-N 3.19Å
885	L	97.9	Very high	95.2	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	90.8	162	178.9	63.1	0	0	0	109.8	L563 L879 L888 L898 L900	L563-L885 HydrophobicContact CD1-CD2 3.81Å; L563-L885 HydrophobicContact CD2-CD2 3.87Å; L563-L885 HydrophobicContact CG-CD2 4.38Å; L879-L885 HydrophobicContact CD1-CB 3.92Å; L885-L888 HydrophobicContact CD1-CB 4.34Å; L885-L888 HydrophobicContact CD2-CB 4.37Å; L885-L898 HydrophobicContact CD1-CD1 3.22Å; L885-L900 HydrophobicContact CB-CD2 4.42Å; L885-L900 HydrophobicContact CD1-CD2 3.79Å
886	L	97.9	Very high	95.2	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-40.8	-174	177.9	62	0	0	0	112.2	Y149 I153 H884 R899 E901 I979	Y149-L886 HydrophobicContact CE2-CD1 3.62Å; Y149-L886 HydrophobicContact CE2-CD2 4.02Å; Y149-L886 HydrophobicContact CE2-CG 4.49Å; I153-L886 HydrophobicContact CD1-CD2 3.93Å; H884-L886 PolarHBondContact O-N 3Å; H884-L886 VanDerWaalsContact O-N 3.11Å; L886-R899 HydrophobicContact CB-CB 4.03Å; L886-R899 HydrophobicContact CD2-CB 4.35Å; L886-R899 HydrophobicContact CG-CB 4.43Å; L886-R899 PolarHBondContact N-O 3.43Å; L886-E901 HydrophobicContact CB-CG 4.43Å; L886-I979 HydrophobicContact CD2-CD1 4.01Å; L886-I979 HydrophobicContact CD2-CG1 4.14Å; L886-I979 HydrophobicContact CD2-CG2 4.11Å
887	T	98.5	Very high	95.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.1	179.1	-50.8	0	0	0	0	109.8	L897 L898 R899	T887-L897 HydrophobicContact CG2-CD2 4.29Å; T887-L898 CarbonylContact O-C 3.56Å; T887-L898 WeakPolarHBondContact O-CA 3.48Å; T887-R899 PolarHBondContact N-O 3.33Å; T887-R899 PolarHBondContact O-N 3.19Å; T887-R899 PolarHBondContact OG1-NH1 3.45Å; T887-R899 VanDerWaalsContact OG1-NH1 3.15Å
888	L	98.2	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	109.9	161.9	178.6	68.9	0	0	0	106.6	N397 Q398 V401 L563 L885 V896 L897 L898 F924	N397-L888 CarbonylContact C-O 3.53Å; N397-L888 WeakPolarHBondContact CB-O 3.42Å; Q398-L888 HydrophobicContact CB-CD2 4.45Å; Q398-L888 HydrophobicContact CG-CB 4Å; Q398-L888 HydrophobicContact CG-CD2 4.34Å; Q398-L888 PolarHBondContact N-O 3.3Å; V401-L888 HydrophobicContact CB-CD2 4.41Å; V401-L888 HydrophobicContact CB-CG 4.24Å; V401-L888 HydrophobicContact CG1-CD1 4.27Å; V401-L888 HydrophobicContact CG1-CD2 4.38Å; V401-L888 HydrophobicContact CG1-CG 4.28Å; V401-L888 HydrophobicContact CG2-CG 4.23Å; L563-L888 HydrophobicContact CD2-CD2 3.91Å; L885-L888 HydrophobicContact CD1-CB 4.34Å; L885-L888 HydrophobicContact CD2-CB 4.37Å; L888-V896 HydrophobicContact CD1-CG1 3.48Å; L888-V896 VanDerWaalsContact CD1-CG1 3.48Å; L888-V896 HydrophobicContact CG-CG1 4.44Å; L888-L897 WeakPolarHBondContact CA-O 3.46Å; L888-L898 HydrophobicContact CD1-CD1 4.48Å; L888-F924 HydrophobicContact CD1-CE1 3.96Å; L888-F924 HydrophobicContact CD1-CE2 4.3Å; L888-F924 HydrophobicContact CD1-CZ 3.6Å; L888-F924 HydrophobicContact CD2-CE1 3.8Å; L888-F924 HydrophobicContact CD2-CZ 4.31Å
889	S	97	Very high	95.7	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.2	-172.9	-169.4	0	0	0	0	112.1	R421 W891 L897	R421-S889 PolarHBondContact NH2-OG 3.4Å; S889-W891 PolarHBondContact O-N 3.27Å; S889-L897 PolarHBondContact N-O 3.11Å; S889-L897 PolarHBondContact O-N 2.86Å
890	Q	94.9	Very high	95.8	Very high	20 Å²	20	28.3 Å²	28.3	9%	0.093	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.7	175.3	-164.2	67	43.7	0	0	109.9	E400 V401 D892 S895	E400-Q890 HydrophobicContact CG-CB 4.13Å; V401-Q890 HydrophobicContact CG2-CB 4.24Å; V401-Q890 VanDerWaalsContact CG2-N 3.3Å; Q890-D892 WeakPolarHBondContact CG-O 3.39Å; Q890-D892 PolarHBondContact NE2-O 2.88Å; Q890-S895 PolarHBondContact NE2-O 3.48Å; Q890-S895 VanDerWaalsContact NE2-O 3.15Å
891	W	94.9	Very high	96	Very high	35 Å²	35	26.1 Å²	26.1	13%	0.133	13%	0.133	C	C	.	.			trans	-94.5	-50.2	179.4	-170	-102.7	0	0	0	111.9	T157 R161 S889 S895 L897 A939 L983	T157-W891 HydrophobicContact CG2-CH2 4.4Å; T157-W891 HydrophobicContact CG2-CZ3 4.06Å; R161-W891 HydrophobicContact CB-CH2 4.02Å; R161-W891 HydrophobicContact CG-CH2 3.68Å; R161-W891 HydrophobicContact CG-CZ2 3.76Å; R161-W891 VanDerWaalsContact NH1-CD2 3.3Å; R161-W891 VanDerWaalsContact NH1-CE3 3.31Å; R161-W891 PolarHBondContact NH1-O 3Å; R161-W891 PolarHBondContact NH2-O 3.47Å; S889-W891 PolarHBondContact O-N 3.27Å; W891-S895 WeakPolarHBondContact CB-O 3.37Å; W891-S895 PolarHBondContact N-O 3.3Å; W891-L897 HydrophobicContact CE3-CB 3.94Å; W891-L897 HydrophobicContact CE3-CD2 3.99Å; W891-L897 HydrophobicContact CE3-CG 4.39Å; W891-L897 HydrophobicContact CZ3-CD2 3.84Å; W891-A939 HydrophobicContact CH2-CB 3.97Å; W891-A939 HydrophobicContact CZ3-CB 4.26Å; W891-L983 HydrophobicContact CB-CD1 3.68Å; W891-L983 HydrophobicContact CD2-CD1 4.16Å; W891-L983 HydrophobicContact CG-CD1 3.5Å; W891-L983 VanDerWaalsContact CG-CD1 3.5Å
892	D	91.1	Very high	96.3	Very high	70 Å²	70	22.2 Å²	22.2	37%	0.374	11%	0.108	S	C	.	.	S	Bend	trans	-146.4	-154.3	174.7	59.8	51.7	0	0	0	110.1	Q890 E894 S895	Q890-D892 WeakPolarHBondContact CG-O 3.39Å; Q890-D892 PolarHBondContact NE2-O 2.88Å; D892-E894 PolarHBondContact OD1-N 3.39Å; D892-S895 PolarHBondContact N-O 2.85Å; D892-S895 WeakPolarHBondContact OD1-CB 3.49Å; D892-S895 PolarHBondContact OD1-N 3.16Å; D892-S895 PolarHBondContact OD1-OG 3.25Å; D892-S895 VanDerWaalsContact OD1-OG 3.11Å; D892-S895 WeakPolarHBondContact OD2-CB 3.41Å; D892-S895 PolarHBondContact OD2-OG 3.31Å; D892-S895 VanDerWaalsContact OD2-OG 3.09Å
893	Q	86.9	Confident	96.3	Very high	180 Å²	180	22.6 Å²	22.6	84%	0.841	11%	0.109	S	C	*	.	S	Bend	trans	-75.2	-29.3	179.8	-70	-177	-20	0	0	114.2
894	E	90.9	Very high	96.3	Very high	100 Å²	100	22.5 Å²	22.5	47%	0.467	11%	0.108	S	C	.	.	S	Bend	trans	-114.2	-7.8	-175.4	-65.3	-171.2	-166.3	0	0	112.9	D892 R985 V986	D892-E894 PolarHBondContact OD1-N 3.39Å; E894-R985 IonicContact OE2-CZ 3.84Å; E894-R985 IonicContact OE2-NE 2.73Å; E894-R985 PolarHBondContact OE2-NE 3.31Å; E894-R985 IonicContact OE2-NH2 2.68Å; E894-R985 PolarHBondContact OE2-NH2 2.82Å; E894-V986 PolarHBondContact O-N 2.7Å
895	S	95.5	Very high	96.3	Very high	17 Å²	17	21.8 Å²	21.8	12%	0.119	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.8	-170.1	-42.2	0	0	0	0	114	Q890 W891 D892 L984	Q890-S895 PolarHBondContact NE2-O 3.48Å; Q890-S895 VanDerWaalsContact NE2-O 3.15Å; W891-S895 WeakPolarHBondContact CB-O 3.37Å; W891-S895 PolarHBondContact N-O 3.3Å; D892-S895 PolarHBondContact N-O 2.85Å; D892-S895 WeakPolarHBondContact OD1-CB 3.49Å; D892-S895 PolarHBondContact OD1-N 3.16Å; D892-S895 PolarHBondContact OD1-OG 3.25Å; D892-S895 VanDerWaalsContact OD1-OG 3.11Å; D892-S895 WeakPolarHBondContact OD2-CB 3.41Å; D892-S895 PolarHBondContact OD2-OG 3.31Å; D892-S895 VanDerWaalsContact OD2-OG 3.09Å; S895-L984 CarbonylContact C-O 3.49Å; S895-L984 WeakPolarHBondContact CA-O 3.31Å
896	V	97.1	Very high	96.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.6	179.4	172.1	0	0	0	0	109.5	V401 L888 L984 V986	V401-V896 HydrophobicContact CG1-CG1 4.11Å; V401-V896 HydrophobicContact CG1-CG2 3.8Å; V401-V896 HydrophobicContact CG2-CG1 4.05Å; V401-V896 HydrophobicContact CG2-CG2 4.14Å; L888-V896 HydrophobicContact CD1-CG1 3.48Å; L888-V896 VanDerWaalsContact CD1-CG1 3.48Å; L888-V896 HydrophobicContact CG-CG1 4.44Å; V896-L984 PolarHBondContact N-O 3.46Å; V896-L984 PolarHBondContact O-N 2.7Å; V896-V986 HydrophobicContact CB-CG1 4.48Å; V896-V986 HydrophobicContact CG2-CG1 4.39Å; V896-V986 HydrophobicContact CG2-CG2 3.73Å
897	L	98.4	Very high	96	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.2	170.7	-177.4	68.8	0	0	0	109.6	T157 T887 L888 S889 W891 A939 T981	T157-L897 HydrophobicContact CG2-CD2 4.28Å; T887-L897 HydrophobicContact CG2-CD2 4.29Å; L888-L897 WeakPolarHBondContact CA-O 3.46Å; S889-L897 PolarHBondContact N-O 3.11Å; S889-L897 PolarHBondContact O-N 2.86Å; W891-L897 HydrophobicContact CE3-CB 3.94Å; W891-L897 HydrophobicContact CE3-CD2 3.99Å; W891-L897 HydrophobicContact CE3-CG 4.39Å; W891-L897 HydrophobicContact CZ3-CD2 3.84Å; L897-A939 HydrophobicContact CD1-CB 3.66Å; L897-A939 HydrophobicContact CD2-CB 4.29Å; L897-T981 HydrophobicContact CD1-CG2 3.68Å
898	L	98.6	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.4	176.2	174.9	64.6	0	0	0	110	L885 T887 L888 L900 L920 L923 F924 T981 F982 L984	L885-L898 HydrophobicContact CD1-CD1 3.22Å; T887-L898 CarbonylContact O-C 3.56Å; T887-L898 WeakPolarHBondContact O-CA 3.48Å; L888-L898 HydrophobicContact CD1-CD1 4.48Å; L898-L900 HydrophobicContact CD1-CD2 4.01Å; L898-L900 HydrophobicContact CD1-CG 4.26Å; L898-L900 HydrophobicContact CD2-CD1 4.38Å; L898-L900 HydrophobicContact CD2-CG 4.26Å; L898-L900 HydrophobicContact CG-CG 4.23Å; L898-L920 HydrophobicContact CD2-CD2 3.7Å; L898-L923 HydrophobicContact CD2-CD2 4.11Å; L898-F924 HydrophobicContact CD1-CZ 4.09Å; L898-F924 HydrophobicContact CD2-CE2 4.46Å; L898-T981 WeakPolarHBondContact O-CA 3.37Å; L898-F982 HydrophobicContact CB-CB 4.38Å; L898-F982 HydrophobicContact CD2-CD2 4.46Å; L898-F982 PolarHBondContact N-O 3.05Å; L898-F982 PolarHBondContact O-N 3.47Å; L898-L984 HydrophobicContact CB-CD1 3.96Å; L898-L984 HydrophobicContact CB-CG 4.15Å; L898-L984 HydrophobicContact CD2-CD1 3.76Å; L898-L984 HydrophobicContact CD2-CG 4.48Å; L898-L984 HydrophobicContact CG-CD1 4.47Å
899	R	98.8	Very high	95.6	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.3	163.7	-63.5	-171	-176.4	100.6	-3.2	110.6	I153 D154 T157 L886 T887 L937 I979 R980 T981	I153-R899 VanDerWaalsContact CG2-CZ 3.47Å; D154-R899 IonicContact OD1-NH1 3.42Å; T157-R899 PolarHBondContact OG1-NH2 3.33Å; L886-R899 HydrophobicContact CB-CB 4.03Å; L886-R899 HydrophobicContact CD2-CB 4.35Å; L886-R899 HydrophobicContact CG-CB 4.43Å; L886-R899 PolarHBondContact N-O 3.43Å; T887-R899 PolarHBondContact N-O 3.33Å; T887-R899 PolarHBondContact O-N 3.19Å; T887-R899 PolarHBondContact OG1-NH1 3.45Å; T887-R899 VanDerWaalsContact OG1-NH1 3.15Å; R899-L937 VanDerWaalsContact CZ-O 3.31Å; R899-L937 PolarHBondContact NE-O 3.2Å; R899-L937 PolarHBondContact NH2-O 3.5Å; R899-I979 HydrophobicContact CB-CG2 4.35Å; R899-R980 WeakPolarHBondContact CA-O 3.29Å; R899-T981 HydrophobicContact CG-CG2 3.89Å; R899-T981 PolarHBondContact NE-OG1 3.19Å
900	L	98.5	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.3	169.6	-59.5	178	0	0	0	108.5	L879 V883 H884 L885 L898 V918 L920 L974 R980	L879-L900 HydrophobicContact CD1-CD2 4.4Å; V883-L900 HydrophobicContact CG1-CB 4.44Å; V883-L900 HydrophobicContact CG1-CD2 4.47Å; H884-L900 WeakPolarHBondContact O-CA 3.39Å; L885-L900 HydrophobicContact CB-CD2 4.42Å; L885-L900 HydrophobicContact CD1-CD2 3.79Å; L898-L900 HydrophobicContact CD1-CD2 4.01Å; L898-L900 HydrophobicContact CD1-CG 4.26Å; L898-L900 HydrophobicContact CD2-CD1 4.38Å; L898-L900 HydrophobicContact CD2-CG 4.26Å; L898-L900 HydrophobicContact CG-CG 4.23Å; L900-V918 HydrophobicContact CD1-CB 4.33Å; L900-V918 HydrophobicContact CD1-CG1 4.11Å; L900-L920 HydrophobicContact CD1-CD2 3.79Å; L900-L974 HydrophobicContact CB-CD1 3.69Å; L900-L974 HydrophobicContact CB-CD2 4.43Å; L900-R980 PolarHBondContact N-O 3.22Å; L900-R980 VanDerWaalsContact N-O 3.11Å; L900-R980 PolarHBondContact O-N 2.95Å
901	E	97.9	Very high	95.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.3	176.9	75.2	173.6	161.6	0	0	112.8	Y149 R734 V883 H884 L886 E978 I979	Y149-E901 WeakPolarHBondContact CE2-OE2 3.45Å; Y149-E901 PolarHBondContact OH-OE1 3.42Å; R734-E901 IonicContact NE-OE2 3.57Å; V883-E901 CarbonylContact C-O 3.21Å; V883-E901 VanDerWaalsContact CA-O 3.3Å; V883-E901 WeakPolarHBondContact CA-O 3.33Å; H884-E901 HydrophobicContact CB-CG 3.73Å; H884-E901 IonicContact CD2-OE1 2.69Å; H884-E901 PolarHBondContact CD2-OE1 3.06Å; H884-E901 IonicContact CG-OE1 2.72Å; H884-E901 PolarHBondContact N-O 2.91Å; H884-E901 PolarHBondContact O-N 3.19Å; L886-E901 HydrophobicContact CB-CG 4.43Å; E901-E978 CarbonylContact C-O 3.41Å; E901-E978 WeakPolarHBondContact CA-O 3.27Å; E901-I979 HydrophobicContact CB-CB 4.27Å; E901-I979 HydrophobicContact CB-CG1 3.5Å
902	H	98.1	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	112.3	166.8	-164.4	-67.4	0	0	0	110.5	A882 F904 S912 Q914 L974 R975 P976 M977 E978	A882-H902 CarbonylContact O-C 3.51Å; A882-H902 WeakPolarHBondContact O-CA 3.49Å; H902-F904 PolarHBondContact ND1-N 2.92Å; H902-F904 PolarHBondContact ND1-O 3.33Å; H902-F904 PolarHBondContact O-N 3.21Å; H902-S912 PolarHBondContact CE1-O 3.22Å; H902-S912 PolarHBondContact NE2-O 3.13Å; H902-Q914 PolarHBondContact NE2-O 3.42Å; H902-L974 HydrophobicContact CB-CB 4.21Å; H902-L974 PolarHBondContact CD2-O 2.88Å; H902-R975 WeakPolarHBondContact CB-O 3.48Å; H902-P976 WeakPolarHBondContact ND1-CA 3.24Å; H902-M977 WeakPolarHBondContact O-CA 3.47Å; H902-M977 WeakPolarHBondContact O-CE 3.48Å; H902-M977 PolarHBondContact O-N 3.32Å; H902-E978 PolarHBondContact N-O 2.79Å
903	Q	96.1	Very high	95.7	Very high	13 Å²	13	39 Å²	39	6%	0.061	20%	0.199	C	C	.	.			trans	-83.6	-3.1	-167.9	74.5	-176.6	-77.1	0	0	115.5	R845 P881 A882 M977	R845-Q903 HydrophobicContact CB-CG 4.41Å; R845-Q903 WeakPolarHBondContact CD-O 3.42Å; R845-Q903 VanDerWaalsContact CZ-O 3.26Å; R845-Q903 PolarHBondContact NE-O 3.38Å; R845-Q903 PolarHBondContact NH1-O 3.44Å; P881-Q903 PolarHBondContact O-NE2 3.11Å; A882-Q903 PolarHBondContact O-N 2.99Å; Q903-M977 WeakPolarHBondContact O-CE 3.26Å
904	F	97.8	Very high	96.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.182	C	C	.	.	S	Bend	trans	-106.3	142.2	178.4	-68	-106.5	0	0	0	112.2	A841 D842 R845 A882 H902 E908 P976 M977	A841-F904 HydrophobicContact CB-CD1 4Å; A841-F904 HydrophobicContact CB-CE1 3.87Å; A841-F904 WeakPolarHBondContact O-CE1 3.49Å; D842-F904 WeakPolarHBondContact OD1-CE1 3.49Å; R845-F904 HydrophobicContact CB-CE1 4.21Å; R845-F904 HydrophobicContact CB-CE2 4.2Å; R845-F904 HydrophobicContact CB-CZ 3.89Å; R845-F904 HydrophobicContact CG-CD1 4.12Å; R845-F904 HydrophobicContact CG-CE1 3.92Å; R845-F904 HydrophobicContact CG-CE2 4.49Å; R845-F904 HydrophobicContact CG-CZ 4.1Å; A882-F904 HydrophobicContact CB-CD2 4.05Å; A882-F904 HydrophobicContact CB-CE2 4.37Å; H902-F904 PolarHBondContact ND1-N 2.92Å; H902-F904 PolarHBondContact ND1-O 3.33Å; H902-F904 PolarHBondContact O-N 3.21Å; F904-E908 HydrophobicContact CD1-CB 4.43Å; F904-P976 CarbonylContact O-C 3.6Å; F904-P976 VanDerWaalsContact O-CA 3.31Å; F904-P976 WeakPolarHBondContact O-CA 3.27Å; F904-P976 WeakPolarHBondContact O-CB 3.32Å; F904-M977 WeakPolarHBondContact O-CE 3.13Å; F904-M977 PolarHBondContact O-N 3.01Å; F904-M977 VanDerWaalsContact O-N 3.1Å
905	Q	96.8	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.			trans	-71.8	157.4	167.2	-71.9	171.7	-107.7	0	0	110.5	S228 E735 W907 E908 S913 M977	S228-Q905 VanDerWaalsContact OG-CA 3.31Å; S228-Q905 WeakPolarHBondContact OG-CA 3.39Å; S228-Q905 WeakPolarHBondContact OG-CB 3.23Å; E735-Q905 HydrophobicContact CB-CG 4.46Å; E735-Q905 HydrophobicContact CG-CG 3.93Å; Q905-W907 PolarHBondContact O-N 2.82Å; Q905-E908 HydrophobicContact CB-CB 4.43Å; Q905-E908 HydrophobicContact CB-CG 3.94Å; Q905-E908 WeakPolarHBondContact CB-OE2 3.39Å; Q905-E908 PolarHBondContact N-OE2 2.88Å; Q905-E908 PolarHBondContact O-N 2.8Å; Q905-S913 WeakPolarHBondContact O-CB 3.39Å; Q905-S913 PolarHBondContact O-OG 2.87Å; Q905-M977 HydrophobicContact CB-CG 4.39Å; Q905-M977 HydrophobicContact CG-CE 4.18Å; Q905-M977 HydrophobicContact CG-CG 3.77Å; Q905-M977 HydrophobicContact CG-SD 3.97Å
906	S	95.6	Very high	96.4	Very high	57 Å²	57	34.3 Å²	34.3	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.4	-172	57.5	0	0	0	0	114.6	S228	S228-S906 PolarHBondContact OG-N 3.05Å
907	W	93.7	Very high	96.3	Very high	130 Å²	130	37.6 Å²	37.6	49%	0.492	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-5.3	-174.9	54.2	-98.9	0	0	0	114.6	Q905	Q905-W907 PolarHBondContact O-N 2.82Å
908	E	94.7	Very high	96.2	Very high	11 Å²	11	38 Å²	38	5%	0.051	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-35.9	-168.7	-93	-176.6	130.1	0	0	115.2	A841 H844 R845 F904 Q905	A841-E908 HydrophobicContact CB-CB 3.72Å; A841-E908 HydrophobicContact CB-CG 4.13Å; H844-E908 IonicContact CE1-OE1 3.92Å; R845-E908 IonicContact CZ-OE1 3.76Å; R845-E908 VanDerWaalsContact CZ-OE1 3.24Å; R845-E908 IonicContact CZ-OE2 3.86Å; R845-E908 IonicContact NE-OE1 3.69Å; R845-E908 PolarHBondContact NE-OE1 3.45Å; R845-E908 IonicContact NE-OE2 2.77Å; R845-E908 PolarHBondContact NE-OE2 3.22Å; R845-E908 IonicContact NH2-OE1 2.98Å; R845-E908 PolarHBondContact NH2-OE1 2.57Å; R845-E908 IonicContact NH2-OE2 2.81Å; R845-E908 PolarHBondContact NH2-OE2 3.22Å; F904-E908 HydrophobicContact CD1-CB 4.43Å; Q905-E908 HydrophobicContact CB-CB 4.43Å; Q905-E908 HydrophobicContact CB-CG 3.94Å; Q905-E908 WeakPolarHBondContact CB-OE2 3.39Å; Q905-E908 PolarHBondContact N-OE2 2.88Å; Q905-E908 PolarHBondContact O-N 2.8Å
909	S	95.3	Very high	96	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.035	22%	0.215	C	C	.	.			trans	-143.1	132.3	-179.8	172.4	0	0	0	0	110.6	D842 A911 S912 S913	D842-S909 VanDerWaalsContact CG-OG 3.22Å; D842-S909 WeakPolarHBondContact OD1-CB 3.4Å; D842-S909 PolarHBondContact OD1-OG 3.09Å; D842-S909 PolarHBondContact OD2-OG 3.42Å; S909-A911 PolarHBondContact O-N 2.81Å; S909-A911 PolarHBondContact OG-N 2.82Å; S909-S912 PolarHBondContact OG-N 3.13Å; S909-S913 PolarHBondContact N-OG 3.49Å; S909-S913 WeakPolarHBondContact O-CB 3.22Å; S909-S913 PolarHBondContact O-N 3.25Å; S909-S913 PolarHBondContact O-OG 3.29Å; S909-S913 VanDerWaalsContact O-OG 3.09Å
910	K	94	Very high	95.8	Very high	194 Å²	194	39.8 Å²	39.8	84%	0.843	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.8	173.8	-172.9	176.1	179	179.7	0	111.9	Q914	K910-Q914 PolarHBondContact O-NE2 2.88Å; K910-Q914 VanDerWaalsContact O-NE2 3.1Å
911	A	93.4	Very high	95.5	Very high	78 Å²	78	44.3 Å²	44.3	65%	0.645	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-45.9	-175.8	0	0	0	0	0	112.3	S909	S909-A911 PolarHBondContact O-N 2.81Å; S909-A911 PolarHBondContact OG-N 2.82Å
912	S	95.8	Very high	95.1	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.133	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-12.2	-171.1	-56.6	0	0	0	0	114.4	D842 A882 H902 S909 Q914	D842-S912 WeakPolarHBondContact OD1-CB 3.39Å; D842-S912 PolarHBondContact OD1-OG 2.76Å; A882-S912 WeakPolarHBondContact CB-O 3.1Å; H902-S912 PolarHBondContact CE1-O 3.22Å; H902-S912 PolarHBondContact NE2-O 3.13Å; S909-S912 PolarHBondContact OG-N 3.13Å; S912-Q914 PolarHBondContact O-N 3.1Å
913	S	96.4	Very high	94.9	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.049	27%	0.266	C	S	.	.	S	Bend	trans	-87.5	28	174.8	-54.7	0	0	0	0	113.5	Q905 S909 P976	Q905-S913 WeakPolarHBondContact O-CB 3.39Å; Q905-S913 PolarHBondContact O-OG 2.87Å; S909-S913 PolarHBondContact N-OG 3.49Å; S909-S913 WeakPolarHBondContact O-CB 3.22Å; S909-S913 PolarHBondContact O-N 3.25Å; S909-S913 PolarHBondContact O-OG 3.29Å; S909-S913 VanDerWaalsContact O-OG 3.09Å; S913-P976 WeakPolarHBondContact O-CG 3.17Å
914	Q	95.2	Very high	94.9	Very high	105 Å²	105	50.6 Å²	50.6	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	-102.5	146.1	178.1	-59.1	-55.7	-39.6	0	0	110.6	H902 K910 S912 V916	H902-Q914 PolarHBondContact NE2-O 3.42Å; K910-Q914 PolarHBondContact O-NE2 2.88Å; K910-Q914 VanDerWaalsContact O-NE2 3.1Å; S912-Q914 PolarHBondContact O-N 3.1Å; Q914-V916 WeakPolarHBondContact O-CG2 3.2Å; Q914-V916 PolarHBondContact O-N 3.49Å
915	P	95.5	Very high	94.6	Very high	68 Å²	68	52.5 Å²	52.5	44%	0.442	28%	0.277	S	S	.	.			trans	-53.2	140.2	174	-24.8	33.9	0	0	0	112.6	T973 L974 R975	P915-T973 HydrophobicContact CB-CG2 3.96Å; P915-L974 WeakPolarHBondContact CA-O 3.36Å; P915-R975 HydrophobicContact CB-CG 4.4Å; P915-R975 HydrophobicContact CG-CG 4.37Å
916	V	96.1	Very high	94.1	Very high	26 Å²	26	53.5 Å²	53.5	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	-178.1	-177.5	0	0	0	0	110.4	P880 A882 V883 Q914 V918 T973 L974	P880-V916 HydrophobicContact CB-CG1 3.83Å; P880-V916 HydrophobicContact CG-CG1 3.63Å; A882-V916 HydrophobicContact CB-CG2 4.06Å; V883-V916 HydrophobicContact CG2-CB 3.91Å; V883-V916 HydrophobicContact CG2-CG1 3.64Å; V883-V916 HydrophobicContact CG2-CG2 4.42Å; Q914-V916 WeakPolarHBondContact O-CG2 3.2Å; Q914-V916 PolarHBondContact O-N 3.49Å; V916-V918 HydrophobicContact CG1-CG2 4.47Å; V916-T973 CarbonylContact O-C 3.52Å; V916-T973 WeakPolarHBondContact O-CA 3.26Å; V916-L974 PolarHBondContact N-O 3.44Å; V916-L974 PolarHBondContact O-N 2.81Å
917	T	96.1	Very high	93.8	Very high	70 Å²	70	51 Å²	51	43%	0.429	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133	176.4	-51.9	0	0	0	0	111.1	P967 E971 I972 T973	T917-P967 HydrophobicContact CG2-CG 4.3Å; T917-E971 HydrophobicContact CG2-CB 3.86Å; T917-I972 CarbonylContact C-O 3.57Å; T917-I972 VanDerWaalsContact CA-O 3.29Å; T917-I972 WeakPolarHBondContact CA-O 3.3Å; T917-T973 PolarHBondContact OG1-OG1 2.96Å
918	V	95.2	Very high	93.8	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.9	179.8	-178.9	0	0	0	0	109.9	L879 V883 L900 V916 L923 I972	L879-V918 HydrophobicContact CD2-CG1 4.25Å; V883-V918 HydrophobicContact CG1-CG2 4.32Å; V883-V918 HydrophobicContact CG2-CG2 4.15Å; L900-V918 HydrophobicContact CD1-CB 4.33Å; L900-V918 HydrophobicContact CD1-CG1 4.11Å; V916-V918 HydrophobicContact CG1-CG2 4.47Å; V918-L923 HydrophobicContact CG1-CD1 4.28Å; V918-I972 PolarHBondContact N-O 3.16Å; V918-I972 PolarHBondContact O-N 3.16Å
919	N	95.3	Very high	93.8	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.214	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.2	175.5	-171.7	-60.8	0	0	0	110.9	Q921 K922 W970 E971	N919-Q921 PolarHBondContact OD1-N 3.35Å; N919-K922 PolarHBondContact OD1-N 3.03Å; N919-K922 VanDerWaalsContact OD1-N 3.1Å; N919-W970 CarbonylContact C-O 3.54Å; N919-W970 VanDerWaalsContact CA-O 3.28Å; N919-W970 WeakPolarHBondContact CA-O 3.2Å; N919-E971 HydrophobicContact CB-CG 4.5Å
920	L	94.8	Very high	93.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-70.7	-32.7	-176.5	-62.7	-174.3	0	0	0	113.3	L898 L900 K922 L923 V932 W970 I972 F982 L984	L898-L920 HydrophobicContact CD2-CD2 3.7Å; L900-L920 HydrophobicContact CD1-CD2 3.79Å; L920-K922 VanDerWaalsContact C-N 3.28Å; L920-K922 PolarHBondContact O-N 2.89Å; L920-L923 HydrophobicContact CD2-CD2 4.39Å; L920-L923 WeakPolarHBondContact O-CB 3.38Å; L920-L923 PolarHBondContact O-N 2.83Å; L920-V932 HydrophobicContact CD1-CG2 3.81Å; L920-W970 PolarHBondContact N-O 3.01Å; L920-I972 HydrophobicContact CD1-CD1 4.44Å; L920-I972 HydrophobicContact CD1-CG1 3.56Å; L920-I972 HydrophobicContact CD2-CG1 4.46Å; L920-I972 HydrophobicContact CG-CG1 3.79Å; L920-F982 HydrophobicContact CD1-CD1 4.19Å; L920-F982 HydrophobicContact CD1-CD2 4.24Å; L920-F982 HydrophobicContact CD1-CE1 4.39Å; L920-F982 HydrophobicContact CD1-CE2 4.44Å; L920-F982 HydrophobicContact CD1-CG 4.11Å; L920-L984 HydrophobicContact CD1-CD2 4.3Å
921	Q	91.8	Very high	93.9	Very high	95 Å²	95	43.9 Å²	43.9	44%	0.444	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.7	-178	-163.9	-179.7	17.2	0	0	112.3	N919 W970	N919-Q921 PolarHBondContact OD1-N 3.35Å; Q921-W970 HydrophobicContact CB-CD2 4.24Å; Q921-W970 HydrophobicContact CB-CE3 3.99Å
922	K	89.9	Confident	94	Very high	135 Å²	135	41.7 Å²	41.7	59%	0.587	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	16.9	-179.1	-61.3	179.4	-178.2	174.3	0	113	Q876 N919 L920	Q876-K922 WeakPolarHBondContact CB-O 3.44Å; Q876-K922 WeakPolarHBondContact CG-O 3.3Å; Q876-K922 PolarHBondContact OE1-O 2.69Å; Q876-K922 VanDerWaalsContact OE1-O 3.13Å; N919-K922 PolarHBondContact OD1-N 3.03Å; N919-K922 VanDerWaalsContact OD1-N 3.1Å; L920-K922 VanDerWaalsContact C-N 3.28Å; L920-K922 PolarHBondContact O-N 2.89Å
923	L	93.5	Very high	94	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	24%	0.241	C	C	.	.	S	Bend	trans	-79.8	-48.7	-172.1	-172.7	57.7	0	0	0	112.4	L875 Q876 L879 L898 V918 L920	L875-L923 WeakPolarHBondContact CA-O 3.43Å; L875-L923 HydrophobicContact CD2-CD1 3.75Å; L875-L923 HydrophobicContact CD2-CG 3.82Å; L875-L923 WeakPolarHBondContact CD2-O 3.1Å; Q876-L923 PolarHBondContact N-O 2.93Å; L879-L923 HydrophobicContact CD2-CD1 3.68Å; L898-L923 HydrophobicContact CD2-CD2 4.11Å; V918-L923 HydrophobicContact CG1-CD1 4.28Å; L920-L923 HydrophobicContact CD2-CD2 4.39Å; L920-L923 WeakPolarHBondContact O-CB 3.38Å; L920-L923 PolarHBondContact O-N 2.83Å
924	F	95.3	Very high	94.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-102.4	147.1	-169.7	-60.2	-71.8	0	0	0	113.5	L563 G874 L875 Q876 L888 L898 L927 L984	L563-F924 HydrophobicContact CD2-CD1 4.17Å; L563-F924 HydrophobicContact CD2-CE1 3.9Å; G874-F924 CarbonylContact O-C 3.2Å; G874-F924 WeakPolarHBondContact O-CA 3.3Å; L875-F924 HydrophobicContact CD2-CD1 3.88Å; L875-F924 HydrophobicContact CD2-CE1 3.84Å; Q876-F924 WeakPolarHBondContact CG-O 3.49Å; Q876-F924 PolarHBondContact NE2-O 3.32Å; L888-F924 HydrophobicContact CD1-CE1 3.96Å; L888-F924 HydrophobicContact CD1-CE2 4.3Å; L888-F924 HydrophobicContact CD1-CZ 3.6Å; L888-F924 HydrophobicContact CD2-CE1 3.8Å; L888-F924 HydrophobicContact CD2-CZ 4.31Å; L898-F924 HydrophobicContact CD1-CZ 4.09Å; L898-F924 HydrophobicContact CD2-CE2 4.46Å; F924-L927 HydrophobicContact CB-CD1 3.79Å; F924-L927 HydrophobicContact CB-CD2 4.49Å; F924-L927 HydrophobicContact CB-CG 3.74Å; F924-L927 HydrophobicContact CD2-CD1 3.64Å; F924-L927 HydrophobicContact CD2-CD2 4.49Å; F924-L927 HydrophobicContact CD2-CG 4.24Å; F924-L927 HydrophobicContact CG-CD1 4Å; F924-L927 HydrophobicContact CG-CD2 4.45Å; F924-L927 HydrophobicContact CG-CG 4.14Å; F924-L984 HydrophobicContact CE2-CD1 4.14Å
925	S	92.2	Very high	94.2	Very high	41 Å²	41	41.2 Å²	41.2	29%	0.287	23%	0.23	S	C	.	.	S	Bend	trans	-89	-26.3	179	63.9	0	0	0	0	113.4	S873 G874	S873-S925 PolarHBondContact O-OG 3.37Å; G874-S925 WeakPolarHBondContact CA-OG 3.28Å; G874-S925 PolarHBondContact O-N 3.01Å; G874-S925 PolarHBondContact O-OG 3.41Å
926	T	86.6	Confident	94.3	Very high	21 Å²	21	38 Å²	38	13%	0.129	21%	0.209	C	C	.	.	S	Bend	trans	-101.8	-7.2	-172.9	52.6	0	0	0	0	115	L402 F872 K989	L402-T926 WeakPolarHBondContact CD2-OG1 3.08Å; F872-T926 HydrophobicContact CE2-CG2 3.52Å; F872-T926 HydrophobicContact CZ-CG2 3.43Å; F872-T926 VanDerWaalsContact CZ-CG2 3.43Å; T926-K989 WeakPolarHBondContact O-CB 3.47Å; T926-K989 PolarHBondContact O-N 3.3Å
927	L	90.1	Very high	94.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.2	-179.9	61.2	81.9	0	0	0	111.2	V401 F924 V929 V986 T987	V401-L927 HydrophobicContact CG1-CD2 3.69Å; F924-L927 HydrophobicContact CB-CD1 3.79Å; F924-L927 HydrophobicContact CB-CD2 4.49Å; F924-L927 HydrophobicContact CB-CG 3.74Å; F924-L927 HydrophobicContact CD2-CD1 3.64Å; F924-L927 HydrophobicContact CD2-CD2 4.49Å; F924-L927 HydrophobicContact CD2-CG 4.24Å; F924-L927 HydrophobicContact CG-CD1 4Å; F924-L927 HydrophobicContact CG-CD2 4.45Å; F924-L927 HydrophobicContact CG-CG 4.14Å; L927-V929 HydrophobicContact CD1-CG2 3.74Å; L927-V986 HydrophobicContact CB-CB 4.36Å; L927-V986 HydrophobicContact CD1-CB 4.15Å; L927-V986 HydrophobicContact CD1-CG1 3.71Å; L927-V986 HydrophobicContact CD2-CG1 4.36Å; L927-T987 WeakPolarHBondContact CA-O 3.43Å
928	D	92.4	Very high	94.5	Very high	70 Å²	70	33.6 Å²	33.6	37%	0.374	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.6	168.9	-69.3	-47.5	0	0	0	109.1	V986 T987 K989	D928-V986 VanDerWaalsContact O-CA 3.24Å; D928-V986 WeakPolarHBondContact O-CA 3.41Å; D928-T987 PolarHBondContact N-O 3.19Å; D928-T987 PolarHBondContact O-N 3.26Å; D928-K989 WeakPolarHBondContact OD1-CE 3.23Å; D928-K989 IonicContact OD1-NZ 3.92Å; D928-K989 PolarHBondContact OD1-NZ 3.03Å; D928-K989 WeakPolarHBondContact OD2-CE 3.14Å; D928-K989 IonicContact OD2-NZ 2.77Å
929	V	94.6	Very high	94.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.9	175.9	-173.2	0	0	0	0	108.7	L927 W970 L984	L927-V929 HydrophobicContact CD1-CG2 3.74Å; V929-W970 HydrophobicContact CG1-CZ3 3.82Å; V929-L984 HydrophobicContact CG1-CB 4.26Å; V929-L984 HydrophobicContact CG1-CD1 4.45Å; V929-L984 HydrophobicContact CG1-CD2 4.15Å; V929-L984 HydrophobicContact CG2-CD1 4.25Å
930	L	95.1	Very high	94.6	Very high	94 Å²	94	31.8 Å²	31.8	49%	0.492	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-25.4	-177.8	-57.3	-174.5	0	0	0	112.8	R985 T987	L930-R985 PolarHBondContact N-O 2.02Å; L930-T987 HydrophobicContact CD1-CG2 3.58Å; L930-T987 HydrophobicContact CG-CG2 4.42Å
931	G	95.8	Very high	94.7	Very high	21 Å²	21	32.3 Å²	32.3	22%	0.216	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.8	-178.7	0	0	0	0	0	111.7	L984 R985	G931-L984 WeakPolarHBondContact O-CA 3.36Å; G931-R985 PolarHBondContact N-O 2.77Å; G931-R985 PolarHBondContact O-N 3.32Å
932	V	96.3	Very high	94.9	Very high	33 Å²	33	32.7 Å²	32.7	20%	0.2	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.5	179.1	58.8	0	0	0	0	109.2	L920 V969 W970 F982 L984	L920-V932 HydrophobicContact CD1-CG2 3.81Å; V932-V969 HydrophobicContact CG1-CB 4.38Å; V932-V969 WeakPolarHBondContact CG1-O 3.44Å; V932-W970 HydrophobicContact CB-CZ3 4.23Å; V932-W970 HydrophobicContact CG1-CE3 4.16Å; V932-W970 HydrophobicContact CG1-CH2 4.49Å; V932-W970 HydrophobicContact CG1-CZ3 3.98Å; V932-F982 HydrophobicContact CG2-CB 4.22Å; V932-F982 HydrophobicContact CG2-CD1 3.68Å; V932-F982 HydrophobicContact CG2-CG 4.24Å; V932-L984 HydrophobicContact CB-CD2 4.12Å; V932-L984 HydrophobicContact CG2-CD2 3.86Å
933	S	96.3	Very high	95.2	Very high	53 Å²	53	29.6 Å²	29.6	37%	0.371	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.5	170.9	-54.8	0	0	0	0	109.2	F982 L983	S933-F982 CarbonylContact O-C 3.2Å; S933-F982 WeakPolarHBondContact O-CA 3.35Å; S933-L983 PolarHBondContact N-O 3.21Å; S933-L983 PolarHBondContact O-N 3.17Å
934	E	97.4	Very high	95.2	Very high	54 Å²	54	35.8 Å²	35.8	25%	0.252	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	-178.4	-167.1	173	-170.5	0	0	110.9	K943 R980 T981 F982	E934-K943 HydrophobicContact CB-CB 4.05Å; E934-K943 HydrophobicContact CG-CB 3.82Å; E934-K943 HydrophobicContact CG-CG 4.09Å; E934-K943 PolarHBondContact O-N 3.34Å; E934-R980 VanDerWaalsContact CD-NH2 3.32Å; E934-R980 IonicContact OE1-CZ 2.72Å; E934-R980 IonicContact OE1-NE 3.19Å; E934-R980 PolarHBondContact OE1-NE 2.81Å; E934-R980 IonicContact OE1-NH2 2.86Å; E934-R980 PolarHBondContact OE1-NH2 2.92Å; E934-R980 IonicContact OE2-CZ 3.96Å; E934-R980 IonicContact OE2-NE 3.04Å; E934-R980 IonicContact OE2-NH2 3.97Å; E934-R980 PolarHBondContact OE2-NH2 3.42Å; E934-T981 WeakPolarHBondContact CA-O 3.43Å; E934-T981 WeakPolarHBondContact CG-O 3.06Å; E934-F982 HydrophobicContact CB-CD1 4.08Å; E934-F982 HydrophobicContact CB-CE1 4.03Å; E934-F982 HydrophobicContact CG-CD1 4.14Å; E934-F982 HydrophobicContact CG-CE1 3.82Å
935	L	97.9	Very high	95.1	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	164	179.9	-64.6	166.6	0	0	0	110	A939 Q941 W942 T981 L983	L935-A939 HydrophobicContact CD1-CB 3.93Å; L935-Q941 CarbonylContact C-O 3.58Å; L935-Q941 VanDerWaalsContact CA-O 3.24Å; L935-Q941 WeakPolarHBondContact CA-O 3.45Å; L935-Q941 WeakPolarHBondContact CD2-O 3.17Å; L935-W942 HydrophobicContact CD2-CD2 3.93Å; L935-W942 HydrophobicContact CD2-CE3 3.3Å; L935-W942 HydrophobicContact CD2-CH2 4.39Å; L935-W942 HydrophobicContact CD2-CZ3 3.52Å; L935-W942 HydrophobicContact CG-CE3 4.14Å; L935-W942 HydrophobicContact CG-CZ3 4.1Å; L935-T981 HydrophobicContact CB-CG2 4.26Å; L935-T981 PolarHBondContact N-O 3.28Å; L935-L983 HydrophobicContact CD1-CB 3.89Å
936	N	97.5	Very high	95.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.			trans	-62.3	171.6	162.9	71.5	-13.6	0	0	0	111.4	M195 S938 A939 N940 Q941 M946 T981	M195-N936 PolarHBondContact O-ND2 2.81Å; N936-S938 VanDerWaalsContact C-N 3.29Å; N936-S938 PolarHBondContact ND2-OG 3.16Å; N936-S938 PolarHBondContact O-N 3.43Å; N936-A939 PolarHBondContact O-N 3.41Å; N936-A939 PolarHBondContact OD1-N 3.15Å; N936-N940 PolarHBondContact ND2-OD1 3.11Å; N936-N940 PolarHBondContact OD1-N 3.19Å; N936-N940 PolarHBondContact OD1-OD1 3.02Å; N936-Q941 HydrophobicContact CB-CB 4.42Å; N936-Q941 PolarHBondContact N-O 2.99Å; N936-Q941 PolarHBondContact OD1-N 3.27Å; N936-Q941 VanDerWaalsContact OD1-N 3.13Å; N936-Q941 PolarHBondContact OD1-O 3.06Å; N936-M946 HydrophobicContact CB-SD 3.79Å; N936-T981 WeakPolarHBondContact O-CB 3.39Å
937	L	98.5	Very high	95.4	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.4	-171.4	-178.6	60.1	0	0	0	113.9	I153 L191 Q194 M195 R899 A939 I979	I153-L937 HydrophobicContact CD1-CD1 4.08Å; I153-L937 HydrophobicContact CD1-CD2 4.29Å; I153-L937 HydrophobicContact CD1-CG 4.45Å; I153-L937 HydrophobicContact CG1-CD1 4.39Å; I153-L937 HydrophobicContact CG1-CD2 4.17Å; I153-L937 HydrophobicContact CG1-CG 4.28Å; I153-L937 HydrophobicContact CG2-CD1 4.42Å; L191-L937 HydrophobicContact CB-CD2 4.28Å; L191-L937 HydrophobicContact CD2-CD2 3.54Å; Q194-L937 HydrophobicContact CB-CB 4Å; Q194-L937 HydrophobicContact CB-CD2 3.89Å; Q194-L937 PolarHBondContact O-N 3.42Å; Q194-L937 VanDerWaalsContact O-N 3.17Å; M195-L937 HydrophobicContact CE-CD2 4.1Å; M195-L937 HydrophobicContact CE-CG 4.2Å; M195-L937 HydrophobicContact CG-CB 3.87Å; M195-L937 HydrophobicContact CG-CD2 4.3Å; M195-L937 HydrophobicContact CG-CG 4.25Å; R899-L937 VanDerWaalsContact CZ-O 3.31Å; R899-L937 PolarHBondContact NE-O 3.2Å; R899-L937 PolarHBondContact NH2-O 3.5Å; L937-A939 VanDerWaalsContact C-N 3.26Å; L937-A939 PolarHBondContact O-N 3.3Å; L937-I979 HydrophobicContact CD1-CB 3.95Å; L937-I979 HydrophobicContact CD1-CD1 4.05Å; L937-I979 HydrophobicContact CD1-CG2 3.43Å; L937-I979 VanDerWaalsContact CD1-CG2 3.43Å
938	S	97.1	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.7	178.9	47.6	0	0	0	0	114.2	N936 N940	N936-S938 VanDerWaalsContact C-N 3.29Å; N936-S938 PolarHBondContact ND2-OG 3.16Å; N936-S938 PolarHBondContact O-N 3.43Å; S938-N940 VanDerWaalsContact C-N 3.26Å; S938-N940 PolarHBondContact O-N 2.93Å; S938-N940 PolarHBondContact OG-OD1 2.99Å
939	A	97.7	Very high	95.8	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	24%	0.238	C	C	.	.	S	Bend	trans	58.2	31.9	179.1	0	0	0	0	0	114.6	T157 W891 L897 L935 N936 L937 T981	T157-A939 HydrophobicContact CG2-CB 4.39Å; W891-A939 HydrophobicContact CH2-CB 3.97Å; W891-A939 HydrophobicContact CZ3-CB 4.26Å; L897-A939 HydrophobicContact CD1-CB 3.66Å; L897-A939 HydrophobicContact CD2-CB 4.29Å; L935-A939 HydrophobicContact CD1-CB 3.93Å; N936-A939 PolarHBondContact O-N 3.41Å; N936-A939 PolarHBondContact OD1-N 3.15Å; L937-A939 VanDerWaalsContact C-N 3.26Å; L937-A939 PolarHBondContact O-N 3.3Å; A939-T981 HydrophobicContact CB-CG2 4.05Å
940	N	95.8	Very high	95.6	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	27%	0.268	C	S	.	.	S	Bend	trans	-117.7	-0.4	-179.9	78.3	-25.1	0	0	0	114	L160 N164 R172 N936 S938	L160-N940 HydrophobicContact CB-CB 4.15Å; N164-N940 HydrophobicContact CB-CB 4.14Å; N164-N940 PolarHBondContact OD1-O 3.34Å; R172-N940 PolarHBondContact NE-O 2.96Å; R172-N940 PolarHBondContact NH2-O 2.74Å; N936-N940 PolarHBondContact ND2-OD1 3.11Å; N936-N940 PolarHBondContact OD1-N 3.19Å; N936-N940 PolarHBondContact OD1-OD1 3.02Å; S938-N940 VanDerWaalsContact C-N 3.26Å; S938-N940 PolarHBondContact O-N 2.93Å; S938-N940 PolarHBondContact OG-OD1 2.99Å
941	Q	96.4	Very high	95.5	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.051	25%	0.251	C	S	.	.	S	Bend	trans	-145.3	140.2	178.3	-174.8	168.9	14.8	0	0	111.2	R172 L935 N936 E945 M946	R172-Q941 VanDerWaalsContact CZ-CB 3.43Å; R172-Q941 VanDerWaalsContact CZ-CG 3.49Å; L935-Q941 CarbonylContact C-O 3.58Å; L935-Q941 VanDerWaalsContact CA-O 3.24Å; L935-Q941 WeakPolarHBondContact CA-O 3.45Å; L935-Q941 WeakPolarHBondContact CD2-O 3.17Å; N936-Q941 HydrophobicContact CB-CB 4.42Å; N936-Q941 PolarHBondContact N-O 2.99Å; N936-Q941 PolarHBondContact OD1-N 3.27Å; N936-Q941 VanDerWaalsContact OD1-N 3.13Å; N936-Q941 PolarHBondContact OD1-O 3.06Å; Q941-E945 HydrophobicContact CG-CB 4.49Å; Q941-E945 PolarHBondContact NE2-O 3.38Å; Q941-M946 HydrophobicContact CG-CB 4.49Å
942	W	96.9	Very high	95.3	Very high	103 Å²	103	53.2 Å²	53.2	39%	0.39	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-61.2	136.2	169.1	-59.3	120.7	0	0	0	111.2	L935 D944 E945 M946	L935-W942 HydrophobicContact CD2-CD2 3.93Å; L935-W942 HydrophobicContact CD2-CE3 3.3Å; L935-W942 HydrophobicContact CD2-CH2 4.39Å; L935-W942 HydrophobicContact CD2-CZ3 3.52Å; L935-W942 HydrophobicContact CG-CE3 4.14Å; L935-W942 HydrophobicContact CG-CZ3 4.1Å; W942-D944 VanDerWaalsContact C-N 3.31Å; W942-D944 VanDerWaalsContact CB-OD1 3.31Å; W942-D944 WeakPolarHBondContact CB-OD1 3.09Å; W942-D944 PolarHBondContact O-N 3.27Å; W942-E945 HydrophobicContact CB-CB 4.2Å; W942-E945 HydrophobicContact CB-CG 3.99Å; W942-E945 PolarHBondContact O-N 2.86Å; W942-M946 PolarHBondContact O-N 2.93Å
943	K	95	Very high	95	Very high	70 Å²	70	53.1 Å²	53.1	30%	0.304	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.6	-171.2	-178.4	60.9	177.5	-174.4	0	113	E934 E945 M946	E934-K943 HydrophobicContact CB-CB 4.05Å; E934-K943 HydrophobicContact CG-CB 3.82Å; E934-K943 HydrophobicContact CG-CG 4.09Å; E934-K943 PolarHBondContact O-N 3.34Å; K943-E945 VanDerWaalsContact C-N 3.35Å; K943-M946 WeakPolarHBondContact O-CB 3.48Å; K943-M946 PolarHBondContact O-N 3.06Å
944	D	93.6	Very high	94.6	Very high	139 Å²	139	55.1 Å²	55.1	74%	0.743	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.9	178.2	61.6	-23.9	0	0	0	113.5	W942 M946	W942-D944 VanDerWaalsContact C-N 3.31Å; W942-D944 VanDerWaalsContact CB-OD1 3.31Å; W942-D944 WeakPolarHBondContact CB-OD1 3.09Å; W942-D944 PolarHBondContact O-N 3.27Å; D944-M946 VanDerWaalsContact C-N 3.35Å
945	E	93.9	Very high	93.7	Very high	105 Å²	105	60.2 Å²	60.2	49%	0.491	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.6	173	-64	-177.9	173.7	0	0	113.4	Q941 W942 K943 K947	Q941-E945 HydrophobicContact CG-CB 4.49Å; Q941-E945 PolarHBondContact NE2-O 3.38Å; W942-E945 HydrophobicContact CB-CB 4.2Å; W942-E945 HydrophobicContact CB-CG 3.99Å; W942-E945 PolarHBondContact O-N 2.86Å; K943-E945 VanDerWaalsContact C-N 3.35Å; E945-K947 PolarHBondContact O-N 3.4Å; E945-K947 VanDerWaalsContact O-N 3.15Å
946	M	93.9	Very high	91.9	Very high	39 Å²	39	67 Å²	67	19%	0.192	32%	0.317	C	S	.	.			trans	-74.1	104.8	-177.7	-165.9	-172.9	80.2	0	0	110.9	N936 Q941 W942 K943 D944	N936-M946 HydrophobicContact CB-SD 3.79Å; Q941-M946 HydrophobicContact CG-CB 4.49Å; W942-M946 PolarHBondContact O-N 2.93Å; K943-M946 WeakPolarHBondContact O-CB 3.48Å; K943-M946 PolarHBondContact O-N 3.06Å; D944-M946 VanDerWaalsContact C-N 3.35Å
947	K	91.8	Very high	90	Very high	165 Å²	165	72.9 Å²	72.9	72%	0.717	34%	0.344	S	S	*	.			trans	-115.2	132	173.3	-61.3	-177.1	-177.8	-178.9	0	109.3	E945	E945-K947 PolarHBondContact O-N 3.4Å; E945-K947 VanDerWaalsContact O-N 3.15Å
948	R	94.3	Very high	87.7	Confident	51 Å²	51	80.6 Å²	80.6	19%	0.192	38%	0.378	C	S	.	.			trans	-118.6	160.5	175.1	-62.3	-163.7	-63.1	143.9	2.5	110.8	A193 Y197 D198 P232 M233 D235	A193-R948 VanDerWaalsContact CB-NH1 3.29Å; A193-R948 PolarHBondContact O-NE 2.91Å; Y197-R948 WeakPolarHBondContact O-CD 3.43Å; D198-R948 WeakPolarHBondContact OD1-CA 3.22Å; P232-R948 PolarHBondContact O-NH2 3.26Å; M233-R948 PolarHBondContact O-NH2 3.32Å; D235-R948 PolarHBondContact O-NH1 3.33Å; D235-R948 PolarHBondContact O-NH2 2.97Å
949	Y	95.1	Very high	85.6	Confident	46 Å²	46	83.2 Å²	83.2	18%	0.18	40%	0.395	C	S	.	.			trans	-63.7	139.2	166.5	-73.3	-24.1	0	0	0	112	Y36 D198 H348 W951	Y36-Y949 WeakPolarHBondContact CD1-OH 3.49Å; Y36-Y949 AromaticContact CD2-CZ 3.91Å; Y36-Y949 WeakPolarHBondContact CD2-OH 3.37Å; Y36-Y949 AromaticContact CE1-CE2 3.75Å; Y36-Y949 HydrophobicContact CE1-CE2 3.75Å; Y36-Y949 AromaticContact CE1-CZ 3.93Å; Y36-Y949 WeakPolarHBondContact CE1-OH 3.49Å; Y36-Y949 HydrophobicContact CE2-CE1 4.14Å; Y36-Y949 AromaticContact CE2-CE2 3.86Å; Y36-Y949 HydrophobicContact CE2-CE2 3.86Å; Y36-Y949 AromaticContact CE2-CZ 3.51Å; Y36-Y949 VanDerWaalsContact CE2-OH 3.28Å; Y36-Y949 WeakPolarHBondContact CE2-OH 3.35Å; Y36-Y949 VanDerWaalsContact CG-OH 3.28Å; Y36-Y949 AromaticContact CZ-CE2 3.38Å; Y36-Y949 AromaticContact CZ-CZ 3.52Å; Y36-Y949 VanDerWaalsContact OH-CE2 3.3Å; Y36-Y949 WeakPolarHBondContact OH-CE2 3.31Å; D198-Y949 HydrophobicContact CB-CD2 4.1Å; D198-Y949 PolarHBondContact OD1-N 2.91Å; H348-Y949 HydrophobicContact CB-CD2 3.87Å; H348-Y949 HydrophobicContact CB-CE2 4.04Å; H348-Y949 HydrophobicContact CB-CG 4.31Å; H348-Y949 AromaticContact CD2-CG 3.71Å; H348-Y949 AromaticContact CE1-CD1 3.74Å; H348-Y949 AromaticContact CG-CD2 3.86Å; H348-Y949 AromaticContact CG-CG 3.79Å; H348-Y949 AromaticContact ND1-CD1 3.84Å; H348-Y949 AromaticContact ND1-CE1 3.92Å; H348-Y949 AromaticContact NE2-CD1 3.87Å; H348-Y949 AromaticContact NE2-CG 3.94Å; Y949-W951 HydrophobicContact CD2-CZ2 4.12Å
950	D	90.8	Very high	83.2	Confident	124 Å²	124	90.6 Å²	90.6	66%	0.663	43%	0.432	S	S	*	.			trans	-92.7	133.2	172.8	-70.3	-38.7	0	0	0	108.8	H348	H348-D950 PolarHBondContact CD2-O 3.32Å; H348-D950 PolarHBondContact NE2-O 3.43Å
951	W	93	Very high	81	Confident	34 Å²	34	96.3 Å²	96.3	13%	0.129	46%	0.463	C	S	.	.			trans	-121.8	139.9	-176.8	-63.8	96.3	0	0	0	110.7	D198 L222 F237 L344 L347 H348 W354 Y949 P953	D198-W951 PolarHBondContact O-NE1 3.33Å; L222-W951 HydrophobicContact CD1-CB 3.77Å; L222-W951 HydrophobicContact CD1-CG 4.25Å; L222-W951 HydrophobicContact CD2-CB 4.2Å; F237-W951 HydrophobicContact CB-CD2 3.84Å; F237-W951 VanDerWaalsContact CB-CE2 3.41Å; F237-W951 HydrophobicContact CB-CE3 4.49Å; F237-W951 HydrophobicContact CB-CG 4.15Å; F237-W951 HydrophobicContact CB-CH2 4.34Å; F237-W951 HydrophobicContact CB-CZ2 3.71Å; F237-W951 HydrophobicContact CD1-CH2 4.38Å; F237-W951 HydrophobicContact CD1-CZ2 4.37Å; F237-W951 AromaticContact CD2-CD2 3.72Å; F237-W951 HydrophobicContact CD2-CD2 3.72Å; F237-W951 AromaticContact CD2-CE2 3.94Å; F237-W951 AromaticContact CD2-CE3 3.52Å; F237-W951 HydrophobicContact CD2-CE3 3.52Å; F237-W951 HydrophobicContact CD2-CG 4.47Å; F237-W951 AromaticContact CD2-CH2 3.73Å; F237-W951 HydrophobicContact CD2-CH2 3.73Å; F237-W951 AromaticContact CD2-CZ2 3.97Å; F237-W951 HydrophobicContact CD2-CZ2 3.97Å; F237-W951 AromaticContact CD2-CZ3 3.51Å; F237-W951 HydrophobicContact CD2-CZ3 3.51Å; F237-W951 HydrophobicContact CE2-CE3 4.11Å; F237-W951 HydrophobicContact CE2-CH2 4.12Å; F237-W951 AromaticContact CE2-CZ3 3.77Å; F237-W951 HydrophobicContact CE2-CZ3 3.77Å; F237-W951 HydrophobicContact CG-CD2 4.09Å; F237-W951 AromaticContact CG-CE2 3.83Å; F237-W951 HydrophobicContact CG-CE3 4.25Å; F237-W951 AromaticContact CG-CH2 3.87Å; F237-W951 HydrophobicContact CG-CH2 3.87Å; F237-W951 AromaticContact CG-CZ2 3.74Å; F237-W951 HydrophobicContact CG-CZ2 3.74Å; F237-W951 HydrophobicContact CG-CZ3 4.14Å; L344-W951 HydrophobicContact CD1-CH2 3.79Å; L344-W951 HydrophobicContact CD1-CZ2 3.52Å; L344-W951 HydrophobicContact CG-CH2 4.46Å; L344-W951 HydrophobicContact CG-CZ2 4.07Å; L347-W951 HydrophobicContact CB-CH2 4.06Å; L347-W951 HydrophobicContact CB-CZ3 4.31Å; H348-W951 VanDerWaalsContact CA-CH2 3.5Å; H348-W951 HydrophobicContact CB-CH2 3.52Å; H348-W951 HydrophobicContact CB-CZ2 3.91Å; H348-W951 HydrophobicContact CB-CZ3 3.99Å; W354-W951 AromaticContact CD1-CE3 3.72Å; W354-W951 HydrophobicContact CZ2-CZ3 4.3Å; W354-W951 AromaticContact NE1-CE3 3.37Å; W354-W951 AromaticContact NE1-CZ3 3.52Å; Y949-W951 HydrophobicContact CD2-CZ2 4.12Å; W951-P953 WeakPolarHBondContact O-CD 3.18Å
952	S	91.2	Very high	78.9	Confident	60 Å²	60	102.9 Å²	102.9	42%	0.42	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	116.3	180	-65.6	0	0	0	0	111	T353 W354	T353-S952 CarbonylContact C-O 3.57Å; T353-S952 VanDerWaalsContact CA-O 3.28Å; T353-S952 WeakPolarHBondContact CA-O 3.46Å; W354-S952 PolarHBondContact N-O 3.2Å
953	P	91.8	Very high	76.9	Confident	31 Å²	31	104 Å²	104	20%	0.201	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	150.3	171.4	28.5	-32.2	0	0	0	111.6	L222 W354 L356 W951 K955	L222-P953 HydrophobicContact CD2-CB 4.08Å; L222-P953 HydrophobicContact CD2-CG 4.36Å; W354-P953 CarbonylContact O-C 3.59Å; W354-P953 WeakPolarHBondContact O-CA 3.5Å; L356-P953 HydrophobicContact CD1-CB 4.43Å; W951-P953 WeakPolarHBondContact O-CD 3.18Å; P953-K955 WeakPolarHBondContact CG-O 3.18Å; P953-K955 PolarHBondContact O-N 3.45Å
954	E	88	Confident	75.5	Confident	95 Å²	95	107 Å²	107	44%	0.444	52%	0.523	S	S	.	.	S	Bend	trans	-63.5	-22.9	173.3	-78	173.9	-177.7	0	0	113.7	K292 W354	K292-E954 IonicContact NZ-OE1 3.87Å; K292-E954 PolarHBondContact NZ-OE1 3.32Å; W354-E954 PolarHBondContact O-N 2.9Å
955	K	76.6	Confident	74.8	Confident	161 Å²	161	109 Å²	109	70%	0.7	53%	0.527	S	S	*	.	S	Bend	trans	-108.2	119.4	174.6	-67.5	-179.3	-179.3	174.7	0	108.9	P953 E957	P953-K955 WeakPolarHBondContact CG-O 3.18Å; P953-K955 PolarHBondContact O-N 3.45Å; K955-E957 PolarHBondContact O-N 2.92Å
956	E	60.2	Low	74.6	Confident	155 Å²	155	106.5 Å²	106.5	72%	0.724	52%	0.517	S	S	*	.			trans	-66.3	104.7	172.2	-80.5	-160.5	145.2	0	0	109.5	K958	E956-K958 VanDerWaalsContact OE1-CE 3.26Å; E956-K958 WeakPolarHBondContact OE1-CE 3.4Å; E956-K958 IonicContact OE1-NZ 3.11Å; E956-K958 PolarHBondContact OE1-NZ 2.98Å
957	E	58	Low	74.4	Confident	125 Å²	125	108.6 Å²	108.6	58%	0.584	53%	0.534	S	S	*	.			trans	-107.3	109	147.9	-73.9	-177.7	178.1	0	0	105.9	R224 K955 P959	R224-E957 IonicContact CZ-OE2 3.25Å; R224-E957 IonicContact NH1-OE2 3.79Å; R224-E957 PolarHBondContact NH1-OE2 2.82Å; K955-E957 PolarHBondContact O-N 2.92Å; E957-P959 VanDerWaalsContact C-CD 3.45Å; E957-P959 WeakPolarHBondContact O-CD 3.42Å
958	K	49.8	Very low	74.4	Confident	167 Å²	167	102.8 Å²	102.8	73%	0.726	51%	0.514	S	S	*	.			trans	-87.8	92.6	165.7	-74.2	-179.9	-175.6	162.1	0	107.2	E956 L960	E956-K958 VanDerWaalsContact OE1-CE 3.26Å; E956-K958 WeakPolarHBondContact OE1-CE 3.4Å; E956-K958 IonicContact OE1-NZ 3.11Å; E956-K958 PolarHBondContact OE1-NZ 2.98Å; K958-L960 PolarHBondContact O-N 2.93Å
959	P	54.8	Low	74.1	Confident	55 Å²	55	105 Å²	105	36%	0.357	53%	0.533	S	S	.	.			trans	-62.8	136.3	169.8	27.6	-33.7	0	0	0	108.4	P231 E957 L961	P231-P959 HydrophobicContact CB-CG 4.18Å; P231-P959 HydrophobicContact CG-CG 4.48Å; E957-P959 VanDerWaalsContact C-CD 3.45Å; E957-P959 WeakPolarHBondContact O-CD 3.42Å; P959-L961 PolarHBondContact O-N 3.39Å
960	L	46.8	Very low	74	Confident	159 Å²	159	105.9 Å²	105.9	83%	0.832	54%	0.536	S	S	*	.			trans	-65	101.8	164.2	-79.1	160.9	0	0	0	107.3	K958 K962	K958-L960 PolarHBondContact O-N 2.93Å; L960-K962 VanDerWaalsContact C-N 3.31Å; L960-K962 PolarHBondContact O-N 3.11Å
961	L	49.3	Very low	74.2	Confident	128 Å²	128	103.6 Å²	103.6	67%	0.67	52%	0.522	S	S	*	.			trans	-60.7	94.9	166.9	-85.4	153.7	0	0	0	108	P959 T963	P959-L961 PolarHBondContact O-N 3.39Å; L961-T963 PolarHBondContact O-N 3.1Å
962	K	52.2	Low	74.3	Confident	149 Å²	149	102.2 Å²	102.2	65%	0.648	52%	0.517	S	S	*	.			trans	-79.2	105.8	160.9	-74.5	-173.6	179	179.8	0	106.8	L960 F964	L960-K962 VanDerWaalsContact C-N 3.31Å; L960-K962 PolarHBondContact O-N 3.11Å; K962-F964 HydrophobicContact CB-CD2 3.96Å; K962-F964 HydrophobicContact CB-CE2 3.37Å; K962-F964 HydrophobicContact CB-CZ 3.96Å; K962-F964 HydrophobicContact CD-CE2 4.08Å; K962-F964 HydrophobicContact CD-CZ 3.91Å; K962-F964 HydrophobicContact CG-CE2 4.37Å; K962-F964 VanDerWaalsContact O-CD2 3.3Å; K962-F964 WeakPolarHBondContact O-CD2 3.23Å; K962-F964 PolarHBondContact O-N 3.01Å
963	T	55.3	Low	74.5	Confident	127 Å²	127	100.6 Å²	100.6	78%	0.779	50%	0.504	S	S	*	.			trans	-67.4	120.1	165.2	41.7	0	0	0	0	107.8	L961	L961-T963 PolarHBondContact O-N 3.1Å
964	F	65.9	Low	74.7	Confident	133 Å²	133	99.1 Å²	99.1	58%	0.583	50%	0.495	S	S	*	.			trans	-111.9	127.2	170.7	-71.4	-85.1	0	0	0	106.8	K962	K962-F964 HydrophobicContact CB-CD2 3.96Å; K962-F964 HydrophobicContact CB-CE2 3.37Å; K962-F964 HydrophobicContact CB-CZ 3.96Å; K962-F964 HydrophobicContact CD-CE2 4.08Å; K962-F964 HydrophobicContact CD-CZ 3.91Å; K962-F964 HydrophobicContact CG-CE2 4.37Å; K962-F964 VanDerWaalsContact O-CD2 3.3Å; K962-F964 WeakPolarHBondContact O-CD2 3.23Å; K962-F964 PolarHBondContact O-N 3.01Å
965	E	78.8	Confident	75	Confident	179 Å²	179	97.5 Å²	97.5	84%	0.836	49%	0.485	S	S	*	.			trans	-102	141.4	176.2	-67.7	-177.7	173.9	0	0	109
966	D	89	Confident	76	Confident	53 Å²	53	90.5 Å²	90.5	28%	0.283	46%	0.456	S	S	.	.			trans	-63.2	140.3	170.6	-74.9	-40.1	0	0	0	109.9	S968 E971 T973 R980	D966-S968 PolarHBondContact O-N 3.49Å; D966-E971 WeakPolarHBondContact CB-O 3.38Å; D966-T973 PolarHBondContact OD1-N 3.42Å; D966-R980 IonicContact OD1-CZ 3.96Å; D966-R980 IonicContact OD1-NH1 3.63Å; D966-R980 PolarHBondContact OD1-NH1 2.94Å; D966-R980 IonicContact OD2-CZ 3.43Å; D966-R980 IonicContact OD2-NH1 3.96Å; D966-R980 PolarHBondContact OD2-NH1 3.29Å; D966-R980 IonicContact OD2-NH2 2.92Å; D966-R980 PolarHBondContact OD2-NH2 3.13Å
967	P	90.2	Very high	77.8	Confident	83 Å²	83	83.2 Å²	83.2	54%	0.539	42%	0.421	S	S	.	.	S	Bend	trans	-55.7	-32.6	175.9	-28.1	34.4	0	0	0	113.8	T917 E971	T917-P967 HydrophobicContact CG2-CG 4.3Å; P967-E971 HydrophobicContact CB-CB 4.07Å; P967-E971 WeakPolarHBondContact CD-O 3.43Å; P967-E971 HydrophobicContact CG-CB 4.39Å
968	S	91.6	Very high	79.6	Confident	44 Å²	44	78.1 Å²	78.1	31%	0.308	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-163	172.8	171.9	69.5	0	0	0	0	110.7	D966 W970 E971	D966-S968 PolarHBondContact O-N 3.49Å; S968-W970 PolarHBondContact O-N 3.21Å; S968-W970 PolarHBondContact OG-N 2.93Å; S968-E971 PolarHBondContact O-N 2.68Å; S968-E971 VanDerWaalsContact O-N 3.12Å; S968-E971 PolarHBondContact OG-N 2.83Å
969	V	87.9	Confident	81.9	Confident	98 Å²	98	70.8 Å²	70.8	59%	0.594	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.8	173.5	-60.8	0	0	0	0	113.8	V932	V932-V969 HydrophobicContact CG1-CB 4.38Å; V932-V969 WeakPolarHBondContact CG1-O 3.44Å
970	W	93.1	Very high	84	Confident	63 Å²	63	69 Å²	69	24%	0.239	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-19.8	-180	-57.4	113.2	0	0	0	113.3	N919 L920 Q921 V929 V932 S968	N919-W970 CarbonylContact C-O 3.54Å; N919-W970 VanDerWaalsContact CA-O 3.28Å; N919-W970 WeakPolarHBondContact CA-O 3.2Å; L920-W970 PolarHBondContact N-O 3.01Å; Q921-W970 HydrophobicContact CB-CD2 4.24Å; Q921-W970 HydrophobicContact CB-CE3 3.99Å; V929-W970 HydrophobicContact CG1-CZ3 3.82Å; V932-W970 HydrophobicContact CB-CZ3 4.23Å; V932-W970 HydrophobicContact CG1-CE3 4.16Å; V932-W970 HydrophobicContact CG1-CH2 4.49Å; V932-W970 HydrophobicContact CG1-CZ3 3.98Å; S968-W970 PolarHBondContact O-N 3.21Å; S968-W970 PolarHBondContact OG-N 2.93Å
971	E	94.3	Very high	86.5	Confident	77 Å²	77	61.5 Å²	61.5	36%	0.36	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	93.1	-174.2	-68.9	-172.5	137.3	0	0	109.2	T917 N919 D966 P967 S968	T917-E971 HydrophobicContact CG2-CB 3.86Å; N919-E971 HydrophobicContact CB-CG 4.5Å; D966-E971 WeakPolarHBondContact CB-O 3.38Å; P967-E971 HydrophobicContact CB-CB 4.07Å; P967-E971 WeakPolarHBondContact CD-O 3.43Å; P967-E971 HydrophobicContact CG-CB 4.39Å; S968-E971 PolarHBondContact O-N 2.68Å; S968-E971 VanDerWaalsContact O-N 3.12Å; S968-E971 PolarHBondContact OG-N 2.83Å
972	I	94.8	Very high	88.8	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123	-170.3	-64	-51	0	0	0	109.5	T917 V918 L920 R980 F982	T917-I972 CarbonylContact C-O 3.57Å; T917-I972 VanDerWaalsContact CA-O 3.29Å; T917-I972 WeakPolarHBondContact CA-O 3.3Å; V918-I972 PolarHBondContact N-O 3.16Å; V918-I972 PolarHBondContact O-N 3.16Å; L920-I972 HydrophobicContact CD1-CD1 4.44Å; L920-I972 HydrophobicContact CD1-CG1 3.56Å; L920-I972 HydrophobicContact CD2-CG1 4.46Å; L920-I972 HydrophobicContact CG-CG1 3.79Å; I972-R980 VanDerWaalsContact CG2-NH1 3.29Å; I972-F982 HydrophobicContact CB-CZ 4.24Å; I972-F982 HydrophobicContact CD1-CE1 3.95Å; I972-F982 HydrophobicContact CD1-CZ 4.1Å; I972-F982 HydrophobicContact CG1-CE1 4.07Å; I972-F982 HydrophobicContact CG1-CZ 3.83Å; I972-F982 HydrophobicContact CG2-CE1 4.36Å; I972-F982 HydrophobicContact CG2-CE2 3.95Å; I972-F982 HydrophobicContact CG2-CZ 3.41Å; I972-F982 VanDerWaalsContact CG2-CZ 3.41Å
973	T	95.8	Very high	91	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	174.2	-55.4	0	0	0	0	110.4	P915 V916 T917 D966 R980	P915-T973 HydrophobicContact CB-CG2 3.96Å; V916-T973 CarbonylContact O-C 3.52Å; V916-T973 WeakPolarHBondContact O-CA 3.26Å; T917-T973 PolarHBondContact OG1-OG1 2.96Å; D966-T973 PolarHBondContact OD1-N 3.42Å; T973-R980 WeakPolarHBondContact O-CD 3.45Å; T973-R980 PolarHBondContact O-NH1 3.47Å
974	L	96.4	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.8	173.7	-66.6	163.8	0	0	0	108.6	V883 L900 H902 P915 V916 R980	V883-L974 HydrophobicContact CG1-CD1 3.81Å; V883-L974 HydrophobicContact CG2-CD1 4.09Å; L900-L974 HydrophobicContact CB-CD1 3.69Å; L900-L974 HydrophobicContact CB-CD2 4.43Å; H902-L974 HydrophobicContact CB-CB 4.21Å; H902-L974 PolarHBondContact CD2-O 2.88Å; P915-L974 WeakPolarHBondContact CA-O 3.36Å; V916-L974 PolarHBondContact N-O 3.44Å; V916-L974 PolarHBondContact O-N 2.81Å; L974-R980 HydrophobicContact CD2-CB 3.97Å; L974-R980 HydrophobicContact CD2-CG 3.72Å
975	R	95.1	Very high	94.4	Very high	62 Å²	62	43.9 Å²	43.9	23%	0.234	22%	0.218	C	C	.	.			trans	-93.6	162.8	173.9	-64.9	170.7	-68.9	-176.6	-1.6	110.8	H902 P915 M977 E978	H902-R975 WeakPolarHBondContact CB-O 3.48Å; P915-R975 HydrophobicContact CB-CG 4.4Å; P915-R975 HydrophobicContact CG-CG 4.37Å; R975-M977 PolarHBondContact O-N 3.4Å; R975-E978 HydrophobicContact CB-CB 4.4Å; R975-E978 WeakPolarHBondContact CB-OE2 3.47Å; R975-E978 IonicContact CZ-OE1 3.46Å; R975-E978 IonicContact CZ-OE2 3.79Å; R975-E978 PolarHBondContact N-OE2 3.11Å; R975-E978 IonicContact NE-OE1 3.63Å; R975-E978 IonicContact NE-OE2 3.7Å; R975-E978 PolarHBondContact NE-OE2 2.89Å; R975-E978 IonicContact NH2-OE1 2.68Å; R975-E978 PolarHBondContact NH2-OE1 3.33Å; R975-E978 IonicContact NH2-OE2 2.79Å; R975-E978 WeakPolarHBondContact O-CB 3.32Å; R975-E978 PolarHBondContact O-N 3.3Å
976	P	96.8	Very high	95.2	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.7	127.1	174.4	-32.9	38.2	0	0	0	114	H902 F904 S913 E978	H902-P976 WeakPolarHBondContact ND1-CA 3.24Å; F904-P976 CarbonylContact O-C 3.6Å; F904-P976 VanDerWaalsContact O-CA 3.31Å; F904-P976 WeakPolarHBondContact O-CA 3.27Å; F904-P976 WeakPolarHBondContact O-CB 3.32Å; S913-P976 WeakPolarHBondContact O-CG 3.17Å; P976-E978 PolarHBondContact O-N 3.33Å
977	M	97.3	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	9.7	-176.1	-65.6	-72.7	110.3	0	0	116.7	L229 R734 E735 H902 Q903 F904 Q905 R975	L229-M977 HydrophobicContact CD2-CB 4.06Å; L229-M977 WeakPolarHBondContact CD2-O 3.28Å; L229-M977 HydrophobicContact CG-CB 4.24Å; R734-M977 HydrophobicContact CG-SD 4.35Å; R734-M977 PolarHBondContact NH2-O 3.43Å; E735-M977 HydrophobicContact CG-CG 3.96Å; E735-M977 HydrophobicContact CG-SD 3.43Å; E735-M977 WeakPolarHBondContact CG-SD 3.29Å; E735-M977 WeakPolarHBondContact OE1-CG 3.05Å; H902-M977 WeakPolarHBondContact O-CA 3.47Å; H902-M977 WeakPolarHBondContact O-CE 3.48Å; H902-M977 PolarHBondContact O-N 3.32Å; Q903-M977 WeakPolarHBondContact O-CE 3.26Å; F904-M977 WeakPolarHBondContact O-CE 3.13Å; F904-M977 PolarHBondContact O-N 3.01Å; F904-M977 VanDerWaalsContact O-N 3.1Å; Q905-M977 HydrophobicContact CB-CG 4.39Å; Q905-M977 HydrophobicContact CG-CE 4.18Å; Q905-M977 HydrophobicContact CG-CG 3.77Å; Q905-M977 HydrophobicContact CG-SD 3.97Å; R975-M977 PolarHBondContact O-N 3.4Å
978	E	97	Very high	95.1	Very high	18 Å²	18	35.3 Å²	35.3	8%	0.084	17%	0.172	C	C	.	.			trans	-78.8	133.5	176.4	-164.2	165.7	-152.4	0	0	110.6	L229 E901 H902 R975 P976 R980	L229-E978 HydrophobicContact CD2-CB 4.4Å; E901-E978 CarbonylContact C-O 3.41Å; E901-E978 WeakPolarHBondContact CA-O 3.27Å; H902-E978 PolarHBondContact N-O 2.79Å; R975-E978 HydrophobicContact CB-CB 4.4Å; R975-E978 WeakPolarHBondContact CB-OE2 3.47Å; R975-E978 IonicContact CZ-OE1 3.46Å; R975-E978 IonicContact CZ-OE2 3.79Å; R975-E978 PolarHBondContact N-OE2 3.11Å; R975-E978 IonicContact NE-OE1 3.63Å; R975-E978 IonicContact NE-OE2 3.7Å; R975-E978 PolarHBondContact NE-OE2 2.89Å; R975-E978 IonicContact NH2-OE1 2.68Å; R975-E978 PolarHBondContact NH2-OE1 3.33Å; R975-E978 IonicContact NH2-OE2 2.79Å; R975-E978 WeakPolarHBondContact O-CB 3.32Å; R975-E978 PolarHBondContact O-N 3.3Å; P976-E978 PolarHBondContact O-N 3.33Å; E978-R980 HydrophobicContact CG-CG 4Å
979	I	98.4	Very high	94.6	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.8	162	-65.4	154.6	0	0	0	107.4	I153 L886 R899 E901 L937	I153-I979 HydrophobicContact CD1-CD1 3.96Å; L886-I979 HydrophobicContact CD2-CD1 4.01Å; L886-I979 HydrophobicContact CD2-CG1 4.14Å; L886-I979 HydrophobicContact CD2-CG2 4.11Å; R899-I979 HydrophobicContact CB-CG2 4.35Å; E901-I979 HydrophobicContact CB-CB 4.27Å; E901-I979 HydrophobicContact CB-CG1 3.5Å; L937-I979 HydrophobicContact CD1-CB 3.95Å; L937-I979 HydrophobicContact CD1-CD1 4.05Å; L937-I979 HydrophobicContact CD1-CG2 3.43Å; L937-I979 VanDerWaalsContact CD1-CG2 3.43Å
980	R	97.9	Very high	94.9	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.3	171.7	-61.6	-176	67.5	-177.5	-1.4	110.5	R899 L900 E934 D966 I972 T973 L974 E978 F982	R899-R980 WeakPolarHBondContact CA-O 3.29Å; L900-R980 PolarHBondContact N-O 3.22Å; L900-R980 VanDerWaalsContact N-O 3.11Å; L900-R980 PolarHBondContact O-N 2.95Å; E934-R980 VanDerWaalsContact CD-NH2 3.32Å; E934-R980 IonicContact OE1-CZ 2.72Å; E934-R980 IonicContact OE1-NE 3.19Å; E934-R980 PolarHBondContact OE1-NE 2.81Å; E934-R980 IonicContact OE1-NH2 2.86Å; E934-R980 PolarHBondContact OE1-NH2 2.92Å; E934-R980 IonicContact OE2-CZ 3.96Å; E934-R980 IonicContact OE2-NE 3.04Å; E934-R980 IonicContact OE2-NH2 3.97Å; E934-R980 PolarHBondContact OE2-NH2 3.42Å; D966-R980 IonicContact OD1-CZ 3.96Å; D966-R980 IonicContact OD1-NH1 3.63Å; D966-R980 PolarHBondContact OD1-NH1 2.94Å; D966-R980 IonicContact OD2-CZ 3.43Å; D966-R980 IonicContact OD2-NH1 3.96Å; D966-R980 PolarHBondContact OD2-NH1 3.29Å; D966-R980 IonicContact OD2-NH2 2.92Å; D966-R980 PolarHBondContact OD2-NH2 3.13Å; I972-R980 VanDerWaalsContact CG2-NH1 3.29Å; T973-R980 WeakPolarHBondContact O-CD 3.45Å; T973-R980 PolarHBondContact O-NH1 3.47Å; L974-R980 HydrophobicContact CD2-CB 3.97Å; L974-R980 HydrophobicContact CD2-CG 3.72Å; E978-R980 HydrophobicContact CG-CG 4Å; R980-F982 HydrophobicContact CB-CE2 3.52Å; R980-F982 HydrophobicContact CB-CZ 3.48Å; R980-F982 VanDerWaalsContact CB-CZ 3.48Å; R980-F982 HydrophobicContact CG-CZ 4.47Å
981	T	98.7	Very high	95	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	-172.2	-58.1	0	0	0	0	109.5	L897 L898 R899 E934 L935 N936 A939	L897-T981 HydrophobicContact CD1-CG2 3.68Å; L898-T981 WeakPolarHBondContact O-CA 3.37Å; R899-T981 HydrophobicContact CG-CG2 3.89Å; R899-T981 PolarHBondContact NE-OG1 3.19Å; E934-T981 WeakPolarHBondContact CA-O 3.43Å; E934-T981 WeakPolarHBondContact CG-O 3.06Å; L935-T981 HydrophobicContact CB-CG2 4.26Å; L935-T981 PolarHBondContact N-O 3.28Å; N936-T981 WeakPolarHBondContact O-CB 3.39Å; A939-T981 HydrophobicContact CB-CG2 4.05Å
982	F	98.3	Very high	95.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.3	-175.3	-53.9	-80.1	0	0	0	110.9	L898 L920 V932 S933 E934 I972 R980 L984	L898-F982 HydrophobicContact CB-CB 4.38Å; L898-F982 HydrophobicContact CD2-CD2 4.46Å; L898-F982 PolarHBondContact N-O 3.05Å; L898-F982 PolarHBondContact O-N 3.47Å; L920-F982 HydrophobicContact CD1-CD1 4.19Å; L920-F982 HydrophobicContact CD1-CD2 4.24Å; L920-F982 HydrophobicContact CD1-CE1 4.39Å; L920-F982 HydrophobicContact CD1-CE2 4.44Å; L920-F982 HydrophobicContact CD1-CG 4.11Å; V932-F982 HydrophobicContact CG2-CB 4.22Å; V932-F982 HydrophobicContact CG2-CD1 3.68Å; V932-F982 HydrophobicContact CG2-CG 4.24Å; S933-F982 CarbonylContact O-C 3.2Å; S933-F982 WeakPolarHBondContact O-CA 3.35Å; E934-F982 HydrophobicContact CB-CD1 4.08Å; E934-F982 HydrophobicContact CB-CE1 4.03Å; E934-F982 HydrophobicContact CG-CD1 4.14Å; E934-F982 HydrophobicContact CG-CE1 3.82Å; I972-F982 HydrophobicContact CB-CZ 4.24Å; I972-F982 HydrophobicContact CD1-CE1 3.95Å; I972-F982 HydrophobicContact CD1-CZ 4.1Å; I972-F982 HydrophobicContact CG1-CE1 4.07Å; I972-F982 HydrophobicContact CG1-CZ 3.83Å; I972-F982 HydrophobicContact CG2-CE1 4.36Å; I972-F982 HydrophobicContact CG2-CE2 3.95Å; I972-F982 HydrophobicContact CG2-CZ 3.41Å; I972-F982 VanDerWaalsContact CG2-CZ 3.41Å; R980-F982 HydrophobicContact CB-CE2 3.52Å; R980-F982 HydrophobicContact CB-CZ 3.48Å; R980-F982 VanDerWaalsContact CB-CZ 3.48Å; R980-F982 HydrophobicContact CG-CZ 4.47Å; F982-L984 HydrophobicContact CB-CD2 3.9Å; F982-L984 HydrophobicContact CB-CG 4.49Å
983	L	97.8	Very high	95.1	Very high	28 Å²	28	36.5 Å²	36.5	15%	0.147	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.2	160.5	-170.6	63.9	0	0	0	108.1	W891 S933 L935	W891-L983 HydrophobicContact CB-CD1 3.68Å; W891-L983 HydrophobicContact CD2-CD1 4.16Å; W891-L983 HydrophobicContact CG-CD1 3.5Å; W891-L983 VanDerWaalsContact CG-CD1 3.5Å; S933-L983 PolarHBondContact N-O 3.21Å; S933-L983 PolarHBondContact O-N 3.17Å; L935-L983 HydrophobicContact CD1-CB 3.89Å
984	L	97.4	Very high	95	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126	179.9	-56.3	-173.3	0	0	0	109.4	S895 V896 L898 L920 F924 V929 G931 V932 F982 V986	S895-L984 CarbonylContact C-O 3.49Å; S895-L984 WeakPolarHBondContact CA-O 3.31Å; V896-L984 PolarHBondContact N-O 3.46Å; V896-L984 PolarHBondContact O-N 2.7Å; L898-L984 HydrophobicContact CB-CD1 3.96Å; L898-L984 HydrophobicContact CB-CG 4.15Å; L898-L984 HydrophobicContact CD2-CD1 3.76Å; L898-L984 HydrophobicContact CD2-CG 4.48Å; L898-L984 HydrophobicContact CG-CD1 4.47Å; L920-L984 HydrophobicContact CD1-CD2 4.3Å; F924-L984 HydrophobicContact CE2-CD1 4.14Å; V929-L984 HydrophobicContact CG1-CB 4.26Å; V929-L984 HydrophobicContact CG1-CD1 4.45Å; V929-L984 HydrophobicContact CG1-CD2 4.15Å; V929-L984 HydrophobicContact CG2-CD1 4.25Å; G931-L984 WeakPolarHBondContact O-CA 3.36Å; V932-L984 HydrophobicContact CB-CD2 4.12Å; V932-L984 HydrophobicContact CG2-CD2 3.86Å; F982-L984 HydrophobicContact CB-CD2 3.9Å; F982-L984 HydrophobicContact CB-CG 4.49Å; L984-V986 HydrophobicContact CB-CG1 3.87Å
985	R	96.4	Very high	94.9	Very high	135 Å²	135	39.7 Å²	39.7	51%	0.509	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.4	165	-171.7	-179.8	-174.5	-168	1.4	108.5	E894 L930 G931	E894-R985 IonicContact OE2-CZ 3.84Å; E894-R985 IonicContact OE2-NE 2.73Å; E894-R985 PolarHBondContact OE2-NE 3.31Å; E894-R985 IonicContact OE2-NH2 2.68Å; E894-R985 PolarHBondContact OE2-NH2 2.82Å; L930-R985 PolarHBondContact N-O 2.02Å; G931-R985 PolarHBondContact N-O 2.77Å; G931-R985 PolarHBondContact O-N 3.32Å
986	V	94.8	Very high	94.9	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.7	-169.7	-56.9	0	0	0	0	112.8	E894 V896 L927 D928 L984 F988	E894-V986 PolarHBondContact O-N 2.7Å; V896-V986 HydrophobicContact CB-CG1 4.48Å; V896-V986 HydrophobicContact CG2-CG1 4.39Å; V896-V986 HydrophobicContact CG2-CG2 3.73Å; L927-V986 HydrophobicContact CB-CB 4.36Å; L927-V986 HydrophobicContact CD1-CB 4.15Å; L927-V986 HydrophobicContact CD1-CG1 3.71Å; L927-V986 HydrophobicContact CD2-CG1 4.36Å; D928-V986 VanDerWaalsContact O-CA 3.24Å; D928-V986 WeakPolarHBondContact O-CA 3.41Å; L984-V986 HydrophobicContact CB-CG1 3.87Å; V986-F988 HydrophobicContact CG2-CE2 4.48Å; V986-F988 HydrophobicContact CG2-CZ 4.26Å
987	T	91.6	Very high	94.8	Very high	62 Å²	62	39.9 Å²	39.9	38%	0.38	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131	162.4	44.8	0	0	0	0	109.7	L927 D928 L930	L927-T987 WeakPolarHBondContact CA-O 3.43Å; D928-T987 PolarHBondContact N-O 3.19Å; D928-T987 PolarHBondContact O-N 3.26Å; L930-T987 HydrophobicContact CD1-CG2 3.58Å; L930-T987 HydrophobicContact CG-CG2 4.42Å
988	F	85.3	Confident	94.6	Very high	67 Å²	67	43.2 Å²	43.2	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.9	176.7	-59	-79.4	0	0	0	110.4	V401 V986	V401-F988 HydrophobicContact CG1-CE1 4.44Å; V401-F988 WeakPolarHBondContact O-CE1 3.06Å; V986-F988 HydrophobicContact CG2-CE2 4.48Å; V986-F988 HydrophobicContact CG2-CZ 4.26Å
989	K	81.3	Confident	94.4	Very high	166 Å²	166	45.5 Å²	45.5	72%	0.722	20%	0.204	S	C	*	.			trans	-82.6	0	-179.1	-72.2	178.9	175.7	165.2	0	113.7	T926 D928	T926-K989 WeakPolarHBondContact O-CB 3.47Å; T926-K989 PolarHBondContact O-N 3.3Å; D928-K989 WeakPolarHBondContact OD1-CE 3.23Å; D928-K989 IonicContact OD1-NZ 3.92Å; D928-K989 PolarHBondContact OD1-NZ 3.03Å; D928-K989 WeakPolarHBondContact OD2-CE 3.14Å; D928-K989 IonicContact OD2-NZ 2.77Å

Retrieved 989 of 989 residues in 1972.2 ms (Link to these results)

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