A0A096N2E7_PAPAN Loading...

Eukaryotic translation initiation factor 4E type 2 AlphaSync

Component of the 4EHP-GYF2 complex, a multiprotein complex that acts as a repressor of translation initiation. In association with GIGYF2, assists ribosome-associated quality control (RQC) by sequestering the mRNA cap, blocking ribosome initiation and decreasing the translational load on problematic messages. Part of a pathway that works in parallel to RQC-mediated degradation of the stalled nascent polypeptide. GIGYF2 and EIF4E2 work downstream and independently of ZNF598, which seems to work as a scaffold that can recruit them to faulty mRNA even if alternative recruitment mechanisms may exist. Recognizes and binds the 7-methylguanosine-containing mRNA cap during an early step in the initiation. Acts as a repressor of translation initiation. In contrast to EIF4E, it is unable to bind eIF4G (EIF4G1, EIF4G2 or EIF4G3), suggesting that it acts by competing with EIF4E and block assembly of eIF4F at the cap. In P-bodies, component of a complex that promotes miRNA-mediated translational repression. Involved in virus-induced host response by mediating miRNA MIR34A-induced translational silencing which controls IFNB1 production by a negative feedback mechanism.

AlphaFold DB (O60573-2), UniProt , Accession A0A096N2E7, Species PAPAN (Papio anubis, Olive baboon), Gene EIF4E2, Length 234 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	41.1	Very low	49.6	Very low	238 Å²	238	155.2 Å²	155.2	100%	1.172	80%	0.8	S	S	*	*				0	98.8	0	-70.2	177.8	-166.7	0	0	106.7	N3	M1-N3 PolarHBondContact O-N 3.31Å
2	N	43.5	Very low	48.8	Very low	173 Å²	173	155.5 Å²	155.5	93%	0.925	80%	0.804	S	S	*	*			trans	-77.3	105.4	-171	-74.8	-0.3	0	0	0	109.9
3	N	48.1	Very low	48.9	Very low	128 Å²	128	151.8 Å²	151.8	68%	0.684	80%	0.8	S	S	*	*			trans	-90.8	125.1	174.8	-137.5	-3.2	0	0	0	109.1	M1 F5	M1-N3 PolarHBondContact O-N 3.31Å; N3-F5 PolarHBondContact O-N 3.06Å
4	K	55.6	Low	48.2	Very low	200 Å²	200	146.4 Å²	146.4	87%	0.87	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	36	-166.9	-159.5	176.2	-178.7	175.2	0	113.6
5	F	59.9	Low	47.9	Very low	121 Å²	121	148 Å²	148	53%	0.531	81%	0.807	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.9	6.7	-166.7	-79.5	-81	0	0	0	115.7	N3 A7	N3-F5 PolarHBondContact O-N 3.06Å; F5-A7 PolarHBondContact O-N 3.04Å
6	D	52.4	Low	47.6	Very low	164 Å²	164	147.9 Å²	147.9	88%	0.877	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	4.5	176.9	-81.9	-34.5	0	0	0	115.2	L8	D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 3.4Å
7	A	53.7	Low	47.6	Very low	95 Å²	95	149.2 Å²	149.2	79%	0.785	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	21.8	-179.9	0	0	0	0	0	114	F5	F5-A7 PolarHBondContact O-N 3.04Å
8	L	47.9	Very low	47.2	Very low	104 Å²	104	149.4 Å²	149.4	55%	0.545	80%	0.8	S	S	.	*			trans	-106.4	63.3	178	-70.8	172.5	0	0	0	110.7	D6	D6-L8 VanDerWaalsContact C-N 3.33Å; D6-L8 PolarHBondContact O-N 3.4Å
9	K	48.1	Very low	46.9	Very low	174 Å²	174	147.9 Å²	147.9	76%	0.757	79%	0.792	S	S	*	*			trans	-145.5	135.3	162.8	-65.7	-171.1	-178.3	175	0	107.9
10	D	48.4	Very low	46.6	Very low	146 Å²	146	149.1 Å²	149.1	78%	0.781	79%	0.792	S	S	*	*			trans	78.2	102.5	161.8	-42	-35.1	0	0	0	116.1
11	D	46.9	Very low	46.2	Very low	164 Å²	164	150.8 Å²	150.8	88%	0.877	80%	0.796	S	S	*	*				-179.4	118.4	110.3	-102.6	-23.2	0	0	0	111.7
12	D	39.7	Very low	46.1	Very low	159 Å²	159	147.2 Å²	147.2	85%	0.85	78%	0.782	S	S	*	*			trans	-107.1	114.4	171.6	175.2	30	0	0	0	107.1
13	S	50.4	Low	45.8	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	77%	0.771	S	S	*	*			trans	-157.3	109	167.6	48.3	0	0	0	0	109.6
14	G	38.7	Very low	45.5	Very low	76 Å²	76	144.8 Å²	144.8	78%	0.784	78%	0.782	S	S	*	*			trans	-71.1	157.8	173.6	0	0	0	0	0	112.6
15	D	44.6	Very low	44.8	Very low	171 Å²	171	144.2 Å²	144.2	91%	0.914	78%	0.783	S	S	*	*			trans	-128.9	138.6	170.9	-143.4	-4.4	0	0	0	111.2
16	H	43.4	Very low	44.1	Very low	147 Å²	147	148.4 Å²	148.4	68%	0.681	80%	0.8	S	S	*	*			trans	-89.1	143.3	-172.1	-118.8	-70.5	0	0	0	109.5
17	D	47.3	Very low	43.5	Very low	170 Å²	170	148.6 Å²	148.6	91%	0.909	80%	0.802	S	S	*	*			trans	-132.4	122.6	158.1	-93.4	-34	0	0	0	109.5
18	Q	39.3	Very low	42.9	Very low	152 Å²	152	147.9 Å²	147.9	71%	0.71	80%	0.803	S	S	*	*			trans	-122.5	155.2	170.3	-78.2	-174.3	2	0	0	109.2
19	N	41.8	Very low	42.7	Very low	122 Å²	122	150.8 Å²	150.8	65%	0.652	81%	0.814	S	S	*	*			trans	82.6	143.7	161.3	-67.3	7.9	0	0	0	117.9
20	E	41.3	Very low	42.3	Very low	170 Å²	170	150.9 Å²	150.9	79%	0.794	81%	0.814	S	S	*	*			cis	-166.6	159.8	-7.7	-115	170.6	-179.1	0	0	107.2
21	E	37.7	Very low	41.8	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	82%	0.821	S	S	*	*			trans	-70.9	150.6	-177.5	-61.8	174.9	148.4	0	0	113.9
22	N	39.7	Very low	41.4	Very low	164 Å²	164	155 Å²	155	88%	0.877	82%	0.821	S	S	*	*			trans	-159.5	124.1	136.5	-114.4	-27	0	0	0	113.2
23	S	37.2	Very low	41.4	Very low	100 Å²	100	153.1 Å²	153.1	70%	0.699	82%	0.815	S	S	*	*			trans	-83.1	146	176.6	50.1	0	0	0	0	113
24	T	42.4	Very low	40.7	Very low	150 Å²	150	157.2 Å²	157.2	92%	0.92	82%	0.822	S	S	*	*			trans	-165.3	128.1	141.9	7.2	0	0	0	0	111.9
25	Q	41	Very low	40.8	Very low	188 Å²	188	163.5 Å²	163.5	88%	0.879	82%	0.822	S	S	*	*			trans	-75.1	148.6	175.3	-68.9	165.9	-44.8	0	0	111.9
26	K	44.1	Very low	40.7	Very low	208 Å²	208	161.9 Å²	161.9	90%	0.904	81%	0.813	S	S	*	*			trans	-160.8	132.1	141.1	-122.1	176.4	-179.1	180	0	113
27	D	40.7	Very low	40.4	Very low	169 Å²	169	165 Å²	165	90%	0.904	83%	0.825	S	S	*	*			trans	-61.1	155.5	178.5	-62.4	-64.1	0	0	0	114.9
28	G	39.8	Very low	39.8	Very low	79 Å²	79	162.2 Å²	162.2	81%	0.814	81%	0.81	S	S	*	*			trans	-175.8	109.3	171	0	0	0	0	0	113.2
29	E	43.9	Very low	39.6	Very low	165 Å²	165	163.2 Å²	163.2	77%	0.771	82%	0.815	S	S	*	*			trans	-58.5	149.3	-170.3	-64.7	176.4	111.3	0	0	118.7
30	K	39.4	Very low	39.3	Very low	177 Å²	177	162.3 Å²	162.3	77%	0.77	82%	0.818	S	S	*	*			trans	37.6	119.6	136.7	-63	169.9	-177.2	156.9	0	118.9
31	E	39.4	Very low	39.2	Very low	195 Å²	195	160.2 Å²	160.2	91%	0.911	82%	0.822	S	S	*	*				-159.4	136	120.1	-116.5	175.4	-176.4	0	0	113.3
32	K	37.3	Very low	39.7	Very low	201 Å²	201	155.7 Å²	155.7	87%	0.874	81%	0.811	S	S	*	*			trans	-67.4	135.4	177.2	-76.3	169.9	167.5	178.9	0	110.3
33	T	40.9	Very low	40.3	Very low	119 Å²	119	157.7 Å²	157.7	73%	0.73	81%	0.812	S	S	*	*			trans	-150.6	92	147.6	-1.6	0	0	0	0	110	R35	T33-R35 PolarHBondContact O-N 2.99Å
34	E	35.2	Very low	41.7	Very low	194 Å²	194	162.4 Å²	162.4	91%	0.907	81%	0.814	S	S	*	*			trans	-64.7	103.2	157.8	-69.7	-179.2	142.5	0	0	108.1
35	R	40.8	Very low	43.6	Very low	208 Å²	208	164.4 Å²	164.4	79%	0.785	81%	0.81	S	S	*	*			trans	-143.1	125.8	161.6	-70.9	-166.7	178.9	166.6	0.6	111	T33	T33-R35 PolarHBondContact O-N 2.99Å
36	D	43	Very low	45.9	Very low	136 Å²	136	158.9 Å²	158.9	73%	0.727	80%	0.797	S	S	*	*			trans	82.2	62.5	153.8	-52	-29.3	0	0	0	118.9	N38	D36-N38 PolarHBondContact O-N 2.6Å
37	K	36.6	Very low	48.3	Very low	214 Å²	214	151 Å²	151	93%	0.93	77%	0.766	S	S	*	*			trans	-71.1	86.8	135.6	-81.5	179.9	177.5	173.5	0	108.3
38	N	33.8	Very low	51	Low	110 Å²	110	147.5 Å²	147.5	59%	0.588	75%	0.75	S	S	*	*			trans	-136.2	114.7	168.6	-111.6	-15.3	0	0	0	111.5	D36	D36-N38 PolarHBondContact O-N 2.6Å
39	Q	35.1	Very low	53.8	Low	174 Å²	174	146.3 Å²	146.3	81%	0.813	73%	0.728	S	S	*	*			trans	61.9	102.7	134.1	-65.5	172.8	14.2	0	0	118.5
40	S	35.2	Very low	56.3	Low	103 Å²	103	139.5 Å²	139.5	72%	0.72	70%	0.703	S	S	*	*				-179.9	73.4	125.8	175.5	0	0	0	0	109.6	S42	S40-S42 PolarHBondContact O-N 2.96Å
41	S	39.9	Very low	59.1	Low	125 Å²	125	137.4 Å²	137.4	87%	0.874	71%	0.707	S	S	*	*			trans	-83.5	61.8	158.2	63.9	0	0	0	0	108.4	K43	S41-K43 PolarHBondContact O-N 3.05Å
42	S	47.3	Very low	61.9	Low	90 Å²	90	133 Å²	133	63%	0.629	70%	0.704	S	S	*	*			trans	-61.2	110.2	164.1	-85.2	0	0	0	0	106.8	S40 R44	S40-S42 PolarHBondContact O-N 2.96Å; S42-R44 VanDerWaalsContact C-N 3.27Å; S42-R44 PolarHBondContact O-N 3.34Å
43	K	52.5	Low	64.8	Low	207 Å²	207	124.7 Å²	124.7	90%	0.9	67%	0.669	S	S	*	*			trans	-53.1	96.8	168.6	-80.7	-178.8	176.9	177.5	0	107.1	S41 K45	S41-K43 PolarHBondContact O-N 3.05Å; K43-K45 PolarHBondContact O-N 3.33Å; K43-K45 VanDerWaalsContact O-N 3.13Å
44	R	67.2	Low	67.5	Low	198 Å²	198	124.9 Å²	124.9	75%	0.747	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-60.4	121.2	176.5	-70.3	-175.1	-175.5	172.8	1.4	106.3	S42 A46	S42-R44 VanDerWaalsContact C-N 3.27Å; S42-R44 PolarHBondContact O-N 3.34Å; R44-A46 PolarHBondContact O-N 3.26Å
45	K	82.3	Confident	70.5	Confident	192 Å²	192	120.2 Å²	120.2	84%	0.835	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.5	133.2	174.8	-171.6	177.2	-179.4	-178.4	0	107.8	K43 V47	K43-K45 PolarHBondContact O-N 3.33Å; K43-K45 VanDerWaalsContact O-N 3.13Å; K45-V47 PolarHBondContact O-N 3.1Å
46	A	88.8	Confident	73.3	Confident	72 Å²	72	111.5 Å²	111.5	60%	0.595	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-54.8	131.7	176.7	0	0	0	0	0	109.6	R44	R44-A46 PolarHBondContact O-N 3.26Å
47	V	96	Very high	75.9	Confident	43 Å²	43	111.2 Å²	111.2	26%	0.261	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-75.5	127.4	175.6	-175.3	0	0	0	0	107.7	K45 N59 T87 A89	K45-V47 PolarHBondContact O-N 3.1Å; V47-N59 PolarHBondContact O-ND2 2.96Å; V47-T87 HydrophobicContact CB-CG2 4.26Å; V47-T87 HydrophobicContact CG2-CG2 4.04Å; V47-A89 HydrophobicContact CG1-CB 3.98Å
48	V	97.5	Very high	78.9	Confident	95 Å²	95	103.5 Å²	103.5	58%	0.576	58%	0.576	S	S	*	*			trans	-130	152.8	-179.1	-64.4	0	0	0	0	109.8	Q93	V48-Q93 PolarHBondContact O-NE2 3.36Å
49	P	97.8	Very high	81.9	Confident	54 Å²	54	100 Å²	100	35%	0.351	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-57.6	139.6	172.3	-22.9	34.2	0	0	0	111.3	P55 A89	P49-P55 HydrophobicContact CB-CB 4.45Å; P49-P55 HydrophobicContact CG-CB 3.88Å; P49-A89 HydrophobicContact CG-CB 4.1Å
50	G	97	Very high	85	Confident	23 Å²	23	91.7 Å²	91.7	24%	0.237	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-75.2	170.6	173.6	0	0	0	0	0	112.8	A52 E53	G50-A52 PolarHBondContact O-N 2.82Å; G50-E53 PolarHBondContact N-OE2 2.94Å; G50-E53 WeakPolarHBondContact O-CB 3.49Å; G50-E53 PolarHBondContact O-N 3.12Å
51	P	97.4	Very high	88	Confident	132 Å²	132	87 Å²	87	86%	0.857	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	134	171.8	-20.6	32.2	0	0	0	111	E53	P51-E53 PolarHBondContact O-N 2.96Å
52	A	97.4	Very high	90.8	Very high	103 Å²	103	81 Å²	81	85%	0.851	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	17.3	-178.2	0	0	0	0	0	115.5	G50	G50-A52 PolarHBondContact O-N 2.82Å
53	E	98.5	Very high	93.2	Very high	27 Å²	27	78.5 Å²	78.5	13%	0.126	42%	0.42	C	S	.	.			trans	-89.5	151.3	170.5	-64.3	-173.3	173.2	0	0	111.1	G50 P51 P55 S90 E92 Q93 R96	G50-E53 PolarHBondContact N-OE2 2.94Å; G50-E53 WeakPolarHBondContact O-CB 3.49Å; G50-E53 PolarHBondContact O-N 3.12Å; P51-E53 PolarHBondContact O-N 2.96Å; E53-P55 WeakPolarHBondContact O-CD 3.3Å; E53-S90 WeakPolarHBondContact OE2-CB 3.37Å; E53-S90 PolarHBondContact OE2-OG 2.85Å; E53-E92 VanDerWaalsContact CA-OE2 3.31Å; E53-E92 WeakPolarHBondContact CA-OE2 3.39Å; E53-E92 HydrophobicContact CB-CB 4.48Å; E53-E92 HydrophobicContact CB-CG 4.43Å; E53-E92 VanDerWaalsContact CB-OE2 3.29Å; E53-E92 WeakPolarHBondContact CB-OE2 3.3Å; E53-E92 HydrophobicContact CG-CB 3.98Å; E53-E92 HydrophobicContact CG-CG 4.11Å; E53-Q93 WeakPolarHBondContact OE2-CG 3.25Å; E53-Q93 PolarHBondContact OE2-NE2 3.41Å; E53-R96 IonicContact OE1-CZ 3.74Å; E53-R96 IonicContact OE1-NH1 2.74Å; E53-R96 PolarHBondContact OE1-NH1 2.92Å; E53-R96 IonicContact OE1-NH2 3.68Å; E53-R96 PolarHBondContact OE1-NH2 2.86Å; E53-R96 VanDerWaalsContact OE1-NH2 3.13Å
54	H	98.7	Very high	95.3	Very high	123 Å²	123	71.8 Å²	71.8	57%	0.569	39%	0.39	S	S	*	.			trans	-87.2	112.1	178.2	-64.6	79	0	0	0	109.6	S90 V91 E92	H54-S90 CarbonylContact O-C 3.6Å; H54-S90 WeakPolarHBondContact O-CA 3.42Å; H54-S90 VanDerWaalsContact O-CB 3.25Å; H54-S90 WeakPolarHBondContact O-CB 3.09Å; H54-V91 HydrophobicContact CB-CB 4.23Å; H54-V91 HydrophobicContact CB-CG2 4.1Å; H54-V91 PolarHBondContact O-N 3.39Å; H54-E92 IonicContact CE1-OE1 2.67Å; H54-E92 IonicContact CG-OE1 2.71Å; H54-E92 PolarHBondContact N-OE1 3.2Å; H54-E92 PolarHBondContact N-OE2 2.71Å; H54-E92 IonicContact ND1-OE1 3.74Å; H54-E92 PolarHBondContact ND1-OE1 2.99Å
55	P	98.5	Very high	96.6	Very high	95 Å²	95	62.5 Å²	62.5	62%	0.617	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.7	-176	28.5	-35.3	0	0	0	111.5	P49 E53	P49-P55 HydrophobicContact CB-CB 4.45Å; P49-P55 HydrophobicContact CG-CB 3.88Å; E53-P55 WeakPolarHBondContact O-CD 3.3Å
56	L	98.6	Very high	97	Very high	26 Å²	26	60 Å²	60	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	157.6	166.4	-65	171.4	0	0	0	110.1	Y58 Y60 F88 A89 V91 L156	L56-Y58 VanDerWaalsContact C-N 3.26Å; L56-Y58 WeakPolarHBondContact CB-O 3.5Å; L56-Y58 PolarHBondContact O-N 3.44Å; L56-Y60 HydrophobicContact CD1-CD2 4.42Å; L56-F88 HydrophobicContact CD1-CD2 3.56Å; L56-F88 HydrophobicContact CD1-CE2 3.52Å; L56-A89 PolarHBondContact N-O 2.96Å; L56-V91 HydrophobicContact CD2-CG2 3.84Å; L56-L156 HydrophobicContact CD1-CD2 4.29Å; L56-L156 HydrophobicContact CD2-CB 4.11Å
57	Q	98.2	Very high	96.7	Very high	129 Å²	129	61 Å²	61	60%	0.603	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-34.7	176	-175.2	63	23.2	0	0	112.3	E158	Q57-E158 HydrophobicContact CB-CG 3.61Å; Q57-E158 HydrophobicContact CG-CG 4.11Å
58	Y	98.4	Very high	95.8	Very high	52 Å²	52	63.2 Å²	63.2	20%	0.204	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.5	177.4	-56.3	-80.6	0	0	0	109.5	L56 Y60 K117 E164	L56-Y58 VanDerWaalsContact C-N 3.26Å; L56-Y58 WeakPolarHBondContact CB-O 3.5Å; L56-Y58 PolarHBondContact O-N 3.44Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.37Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.41Å; Y58-K117 HydrophobicContact CD1-CD 4.23Å; Y58-K117 HydrophobicContact CD2-CD 4.05Å; Y58-K117 VanDerWaalsContact CE2-NZ 3.29Å; Y58-K117 HydrophobicContact CG-CD 3.89Å; Y58-K117 HydrophobicContact CG-CG 4.37Å; Y58-E164 WeakPolarHBondContact OH-CG 3.41Å
59	N	98.5	Very high	94.6	Very high	36 Å²	36	63.3 Å²	63.3	19%	0.193	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.2	163.1	-72.4	3.6	0	0	0	109.1	V47 T87 F88 A89 K117 E118	V47-N59 PolarHBondContact O-ND2 2.96Å; N59-T87 HydrophobicContact CB-CG2 4.14Å; N59-F88 WeakPolarHBondContact CA-O 3.22Å; N59-A89 WeakPolarHBondContact OD1-CA 3.42Å; N59-A89 WeakPolarHBondContact OD1-CB 3.17Å; N59-K117 CarbonylContact O-C 3.52Å; N59-K117 WeakPolarHBondContact O-CA 3.48Å; N59-E118 HydrophobicContact CB-CB 3.62Å; N59-E118 HydrophobicContact CB-CG 4.42Å; N59-E118 WeakPolarHBondContact CB-OE2 3.14Å; N59-E118 PolarHBondContact ND2-OE2 2.94Å; N59-E118 PolarHBondContact O-N 3.22Å
60	Y	98.8	Very high	93.3	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.1	176.6	-72.8	-98.5	0	0	0	111	L56 Y58 T87 F88 L115 F116 K117 M155 L156 E158	L56-Y60 HydrophobicContact CD1-CD2 4.42Å; Y58-Y60 WeakPolarHBondContact O-CD2 3.37Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.41Å; Y60-T87 CarbonylContact O-C 3.57Å; Y60-T87 VanDerWaalsContact O-CA 3.25Å; Y60-T87 WeakPolarHBondContact O-CA 3.32Å; Y60-T87 WeakPolarHBondContact O-CG2 3.47Å; Y60-F88 PolarHBondContact N-O 3.4Å; Y60-F88 WeakPolarHBondContact O-CD1 2.99Å; Y60-F88 PolarHBondContact O-N 3.42Å; Y60-L115 HydrophobicContact CD1-CG 4.33Å; Y60-F116 CarbonylContact C-O 3.58Å; Y60-F116 WeakPolarHBondContact CA-O 3.34Å; Y60-K117 HydrophobicContact CD1-CG 4.06Å; Y60-K117 HydrophobicContact CE1-CB 4.49Å; Y60-K117 HydrophobicContact CE1-CG 3.52Å; Y60-K117 WeakPolarHBondContact OH-CE 3.47Å; Y60-M155 HydrophobicContact CD1-CE 4.14Å; Y60-M155 HydrophobicContact CE1-CE 3.93Å; Y60-M155 HydrophobicContact CE1-CG 4.09Å; Y60-M155 HydrophobicContact CE1-SD 4.09Å; Y60-L156 HydrophobicContact CD1-CD2 3.84Å; Y60-L156 HydrophobicContact CD2-CD2 3.21Å; Y60-L156 HydrophobicContact CE1-CD2 4.04Å; Y60-L156 HydrophobicContact CE2-CD2 3.44Å; Y60-L156 VanDerWaalsContact CE2-CD2 3.44Å; Y60-L156 HydrophobicContact CG-CD2 3.43Å; Y60-L156 VanDerWaalsContact CG-CD2 3.43Å; Y60-E158 PolarHBondContact OH-OE1 2.98Å
61	T	98.6	Very high	91.9	Very high	4 Å²	4	73 Å²	73	3%	0.025	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.4	-177.6	-59.4	0	0	0	0	110.3	W63 Q84 G86 T87 F116	T61-W63 HydrophobicContact CG2-CD2 4.39Å; T61-W63 HydrophobicContact CG2-CZ2 3.99Å; T61-W63 VanDerWaalsContact CG2-NE1 3.32Å; T61-W63 VanDerWaalsContact O-CD1 3.23Å; T61-Q84 HydrophobicContact CG2-CG 3.4Å; T61-G86 CarbonylContact C-O 3.51Å; T61-G86 WeakPolarHBondContact CA-O 3.43Å; T61-T87 PolarHBondContact OG1-OG1 3.4Å; T61-F116 PolarHBondContact N-O 2.93Å; T61-F116 PolarHBondContact O-N 3.02Å; T61-F116 VanDerWaalsContact O-N 3.13Å
62	F	98.6	Very high	90.5	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.5	167.8	-87.2	-63.2	0	0	0	110.8	I85 G86 F88 F94 F97 Y98 M101 H114 L115 W148	F62-I85 HydrophobicContact CB-CB 3.93Å; F62-I85 HydrophobicContact CB-CD1 4.24Å; F62-I85 HydrophobicContact CB-CG2 4.5Å; F62-I85 PolarHBondContact O-N 3.49Å; F62-G86 PolarHBondContact N-O 2.99Å; F62-F88 HydrophobicContact CD2-CD1 4.23Å; F62-F88 AromaticContact CD2-CE1 3.59Å; F62-F88 HydrophobicContact CD2-CE1 3.59Å; F62-F88 HydrophobicContact CE2-CD1 4.46Å; F62-F88 AromaticContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CZ 4.24Å; F62-F88 HydrophobicContact CG-CE1 4.48Å; F62-F94 HydrophobicContact CE2-CD2 4.1Å; F62-F94 HydrophobicContact CE2-CE2 4.12Å; F62-F94 HydrophobicContact CZ-CD2 4.34Å; F62-F94 AromaticContact CZ-CE2 3.91Å; F62-F94 HydrophobicContact CZ-CE2 3.91Å; F62-F97 HydrophobicContact CD2-CB 4.11Å; F62-F97 HydrophobicContact CE2-CB 4.19Å; F62-Y98 AromaticContact CZ-CD2 3.96Å; F62-Y98 HydrophobicContact CZ-CD2 3.96Å; F62-M101 HydrophobicContact CD1-CE 3.74Å; F62-M101 HydrophobicContact CD1-SD 4.06Å; F62-M101 HydrophobicContact CD2-SD 3.82Å; F62-M101 HydrophobicContact CE1-CE 3.87Å; F62-M101 HydrophobicContact CE1-SD 4.02Å; F62-M101 HydrophobicContact CE2-SD 3.78Å; F62-M101 HydrophobicContact CG-CE 4.1Å; F62-M101 HydrophobicContact CG-SD 3.97Å; F62-M101 HydrophobicContact CZ-CE 4.34Å; F62-M101 HydrophobicContact CZ-SD 3.88Å; F62-H114 CarbonylContact C-O 3.52Å; F62-H114 WeakPolarHBondContact CA-O 3.29Å; F62-L115 HydrophobicContact CD1-CB 4.1Å; F62-L115 HydrophobicContact CD1-CD1 3.81Å; F62-L115 HydrophobicContact CD1-CG 4.43Å; F62-L115 HydrophobicContact CD2-CD1 4.15Å; F62-L115 HydrophobicContact CE1-CB 3.97Å; F62-L115 HydrophobicContact CE1-CD1 3.88Å; F62-L115 HydrophobicContact CE1-CD2 4.05Å; F62-L115 HydrophobicContact CE1-CG 4.19Å; F62-L115 HydrophobicContact CE2-CD1 4.21Å; F62-L115 HydrophobicContact CG-CD1 3.94Å; F62-L115 HydrophobicContact CZ-CD1 4.08Å; F62-L115 HydrophobicContact CZ-CD2 4.07Å; F62-W148 HydrophobicContact CE1-CZ2 4.1Å
63	W	98.1	Very high	89.1	Confident	37 Å²	37	70.4 Å²	70.4	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.5	170.8	-48.5	72.1	0	0	0	110.4	T61 I82 K83 Q84 F113 H114 P122	T61-W63 HydrophobicContact CG2-CD2 4.39Å; T61-W63 HydrophobicContact CG2-CZ2 3.99Å; T61-W63 VanDerWaalsContact CG2-NE1 3.32Å; T61-W63 VanDerWaalsContact O-CD1 3.23Å; W63-I82 HydrophobicContact CB-CD1 3.89Å; W63-I82 HydrophobicContact CB-CG1 3.89Å; W63-I82 HydrophobicContact CD2-CD1 4.47Å; W63-I82 HydrophobicContact CE3-CD1 4.34Å; W63-I82 HydrophobicContact CE3-CG1 4.15Å; W63-I82 HydrophobicContact CG-CD1 4.32Å; W63-K83 CarbonylContact C-O 3.46Å; W63-K83 WeakPolarHBondContact CA-O 3.35Å; W63-Q84 HydrophobicContact CD2-CB 4.24Å; W63-Q84 HydrophobicContact CD2-CG 4.48Å; W63-Q84 HydrophobicContact CE3-CB 3.82Å; W63-Q84 HydrophobicContact CH2-CB 4.14Å; W63-Q84 HydrophobicContact CH2-CG 4.43Å; W63-Q84 HydrophobicContact CZ2-CG 4.41Å; W63-Q84 HydrophobicContact CZ3-CB 3.77Å; W63-Q84 HydrophobicContact CZ3-CG 4.49Å; W63-F113 WeakPolarHBondContact O-CA 3.36Å; W63-H114 HydrophobicContact CB-CB 4.02Å; W63-H114 PolarHBondContact N-O 3.4Å; W63-H114 PolarHBondContact O-N 3.35Å; W63-P122 HydrophobicContact CD2-CG 4.29Å; W63-P122 HydrophobicContact CG-CG 4.11Å
64	Y	96.9	Very high	87.9	Confident	66 Å²	66	72.4 Å²	72.4	26%	0.259	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.2	174.5	171.8	-98.8	0	0	0	110.4	R66 K83 L107 S111 D112 F113	Y64-R66 HydrophobicContact CE1-CB 4.12Å; Y64-K83 PolarHBondContact N-O 3.48Å; Y64-K83 PolarHBondContact O-N 3.43Å; Y64-L107 HydrophobicContact CE2-CD1 4.4Å; Y64-S111 PolarHBondContact OH-OG 3.14Å; Y64-D112 WeakPolarHBondContact CA-O 3.36Å; Y64-D112 WeakPolarHBondContact CD2-O 3.3Å; Y64-F113 AromaticContact CD2-CD1 3.83Å; Y64-F113 HydrophobicContact CD2-CD1 3.83Å; Y64-F113 AromaticContact CD2-CE1 3.6Å; Y64-F113 HydrophobicContact CD2-CE1 3.6Å; Y64-F113 HydrophobicContact CD2-CZ 4.36Å; Y64-F113 HydrophobicContact CE2-CE1 4.39Å; Y64-F113 HydrophobicContact CG-CE1 4.32Å
65	S	94.1	Very high	86.7	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.014	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.7	169.7	57.4	0	0	0	0	110.3	S111 D112 H114	S65-S111 CarbonylContact O-C 3.59Å; S65-S111 WeakPolarHBondContact O-CA 3.2Å; S65-D112 PolarHBondContact N-O 3.35Å; S65-D112 PolarHBondContact O-N 2.95Å; S65-D112 WeakPolarHBondContact OG-CB 3.14Å; S65-D112 PolarHBondContact OG-OD2 3.34Å; S65-H114 PolarHBondContact OG-NE2 2.88Å
66	R	90.4	Very high	85.5	Confident	139 Å²	139	71.4 Å²	71.4	53%	0.525	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.9	170.2	-167.9	177.2	-172.7	-167.2	2	108.4	Y64	Y64-R66 HydrophobicContact CE1-CB 4.12Å
67	R	82.4	Confident	84.5	Confident	94 Å²	94	71.5 Å²	71.5	36%	0.355	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.2	179.1	-56.5	-172.6	74.3	-166	2.8	109.6	P69 T73 H110	R67-P69 WeakPolarHBondContact O-CD 3.47Å; R67-T73 PolarHBondContact NH2-OG1 3.39Å; R67-H110 HydrophobicContact CB-CB 3.99Å; R67-H110 PolarHBondContact N-O 2.89Å
68	T	78	Confident	83.6	Confident	90 Å²	90	67.8 Å²	67.8	55%	0.552	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-81.1	120.6	167.6	-52.4	0	0	0	0	108.4
69	P	71.7	Confident	82.7	Confident	97 Å²	97	69.4 Å²	69.4	63%	0.63	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	143.5	173.2	-23.8	34.1	0	0	0	111.4	R67 R71	R67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-R71 VanDerWaalsContact C-N 3.34Å; P69-R71 PolarHBondContact O-N 3.09Å
70	G	70.4	Confident	81.9	Confident	85 Å²	85	74.8 Å²	74.8	88%	0.876	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-5.5	173.4	0	0	0	0	0	117
71	R	68	Low	81.2	Confident	195 Å²	195	78.4 Å²	78.4	74%	0.736	41%	0.414	S	S	*	.			trans	-96.9	124.4	173.4	-73.9	-166	179.6	-157.6	0.4	111.9	P69 T73	P69-R71 VanDerWaalsContact C-N 3.34Å; P69-R71 PolarHBondContact O-N 3.09Å; R71-T73 PolarHBondContact O-N 3.04Å
72	P	68.4	Low	80.8	Confident	124 Å²	124	79.2 Å²	79.2	81%	0.805	42%	0.418	S	S	*	.			trans	-58.6	128.2	168.9	23.5	-29.8	0	0	0	108.7	S74	P72-S74 PolarHBondContact O-N 3.38Å
73	T	67	Low	80.6	Confident	56 Å²	56	86 Å²	86	34%	0.344	45%	0.447	S	S	.	.			trans	-92.6	100.7	-177.4	-46.1	0	0	0	0	108.3	R67 R71 Y78	R67-T73 PolarHBondContact NH2-OG1 3.39Å; R71-T73 PolarHBondContact O-N 3.04Å; T73-Y78 HydrophobicContact CG2-CD2 4.06Å; T73-Y78 HydrophobicContact CG2-CG 4.43Å
74	S	74	Confident	80.5	Confident	69 Å²	69	87.5 Å²	87.5	48%	0.483	46%	0.455	S	S	.	.			trans	-70.6	154.8	166.1	68.7	0	0	0	0	110.2	P72 Q76 S77 Y78	P72-S74 PolarHBondContact O-N 3.38Å; S74-Q76 VanDerWaalsContact C-N 3.25Å; S74-Q76 PolarHBondContact O-N 3.19Å; S74-S77 PolarHBondContact N-OG 3.47Å; S74-S77 PolarHBondContact O-N 2.83Å; S74-S77 PolarHBondContact O-OG 3.05Å; S74-S77 WeakPolarHBondContact OG-CB 3.48Å; S74-S77 PolarHBondContact OG-N 3.43Å; S74-S77 PolarHBondContact OG-OG 3.21Å; S74-Y78 PolarHBondContact O-N 3.42Å
75	S	72.9	Confident	80.5	Confident	49 Å²	49	87.9 Å²	87.9	34%	0.343	46%	0.461	S	S	.	.	H	α-helix	trans	-53.8	-40.8	177.2	-63.2	0	0	0	0	113	Y78 E79 E125	S75-Y78 WeakPolarHBondContact O-CB 2.99Å; S75-Y78 PolarHBondContact O-N 2.92Å; S75-E79 PolarHBondContact O-N 3.3Å; S75-E125 WeakPolarHBondContact CB-OE1 3.03Å; S75-E125 PolarHBondContact OG-OE1 2.79Å
76	Q	74.2	Confident	80.7	Confident	148 Å²	148	88.3 Å²	88.3	69%	0.692	47%	0.466	S	S	*	.	H	α-helix	trans	-64.1	-42.8	176	-67.5	-178.5	4.6	0	0	112	S74 Y78 E79 Q80	S74-Q76 VanDerWaalsContact C-N 3.25Å; S74-Q76 PolarHBondContact O-N 3.19Å; Q76-Y78 VanDerWaalsContact C-N 3.27Å; Q76-Y78 PolarHBondContact O-N 3.32Å; Q76-E79 PolarHBondContact O-N 2.88Å; Q76-Q80 WeakPolarHBondContact O-CG 3.37Å; Q76-Q80 PolarHBondContact O-N 2.99Å; Q76-Q80 VanDerWaalsContact O-N 3.11Å
77	S	76.3	Confident	81.1	Confident	28 Å²	28	82.6 Å²	82.6	20%	0.196	45%	0.447	C	S	.	.	H	α-helix	trans	-66.4	-31.9	175.9	74.9	0	0	0	0	112	S74 N81	S74-S77 PolarHBondContact N-OG 3.47Å; S74-S77 PolarHBondContact O-N 2.83Å; S74-S77 PolarHBondContact O-OG 3.05Å; S74-S77 WeakPolarHBondContact OG-CB 3.48Å; S74-S77 PolarHBondContact OG-N 3.43Å; S74-S77 PolarHBondContact OG-OG 3.21Å; S77-N81 WeakPolarHBondContact O-CB 3.48Å; S77-N81 VanDerWaalsContact O-CG 3.28Å; S77-N81 PolarHBondContact O-N 3.31Å; S77-N81 VanDerWaalsContact O-N 3.15Å; S77-N81 PolarHBondContact O-ND2 3.46Å
78	Y	79.5	Confident	81.8	Confident	52 Å²	52	78.1 Å²	78.1	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-49.4	175.8	-175.2	-103.2	0	0	0	111	T73 S74 S75 Q76 Q80 N81 I82 H114 M123	T73-Y78 HydrophobicContact CG2-CD2 4.06Å; T73-Y78 HydrophobicContact CG2-CG 4.43Å; S74-Y78 PolarHBondContact O-N 3.42Å; S75-Y78 WeakPolarHBondContact O-CB 2.99Å; S75-Y78 PolarHBondContact O-N 2.92Å; Q76-Y78 VanDerWaalsContact C-N 3.27Å; Q76-Y78 PolarHBondContact O-N 3.32Å; Y78-Q80 VanDerWaalsContact C-N 3.25Å; Y78-Q80 PolarHBondContact O-N 2.97Å; Y78-N81 PolarHBondContact O-N 3.39Å; Y78-I82 PolarHBondContact O-N 2.95Å; Y78-I82 VanDerWaalsContact O-N 3.09Å; Y78-H114 PolarHBondContact OH-CE1 3.46Å; Y78-H114 VanDerWaalsContact OH-CE1 3.24Å; Y78-M123 HydrophobicContact CE1-CB 4.46Å
79	E	80.6	Confident	82.8	Confident	86 Å²	86	73.9 Å²	73.9	40%	0.402	40%	0.404	S	S	.	.	H	α-helix	trans	-59.2	-37.1	178.1	-173	172.4	-162.2	0	0	111.9	S75 Q76 N81 I82 K121 M123	S75-E79 PolarHBondContact O-N 3.3Å; Q76-E79 PolarHBondContact O-N 2.88Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-I82 WeakPolarHBondContact O-CG2 3.11Å; E79-K121 IonicContact OE1-NZ 3.35Å; E79-K121 PolarHBondContact OE1-NZ 3.05Å; E79-M123 HydrophobicContact CB-CE 4.49Å
80	Q	80.4	Confident	84.1	Confident	149 Å²	149	69.3 Å²	69.3	70%	0.696	37%	0.374	S	S	*	.	H	α-helix	trans	-71	-28.3	175.6	-70.2	173.6	1.8	0	0	113.6	Q76 Y78	Q76-Q80 WeakPolarHBondContact O-CG 3.37Å; Q76-Q80 PolarHBondContact O-N 2.99Å; Q76-Q80 VanDerWaalsContact O-N 3.11Å; Y78-Q80 VanDerWaalsContact C-N 3.25Å; Y78-Q80 PolarHBondContact O-N 2.97Å
81	N	85.3	Confident	85.5	Confident	77 Å²	77	67.8 Å²	67.8	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-87.1	-15.5	-177.6	-78.6	-46.9	0	0	0	113.5	S77 Y78 E79	S77-N81 WeakPolarHBondContact O-CB 3.48Å; S77-N81 VanDerWaalsContact O-CG 3.28Å; S77-N81 PolarHBondContact O-N 3.31Å; S77-N81 VanDerWaalsContact O-N 3.15Å; S77-N81 PolarHBondContact O-ND2 3.46Å; Y78-N81 PolarHBondContact O-N 3.39Å; E79-N81 VanDerWaalsContact C-N 3.34Å
82	I	90.4	Very high	86.9	Confident	21 Å²	21	61 Å²	61	11%	0.108	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.4	177.1	-161.9	177.3	0	0	0	111.4	W63 Y78 E79 P122	W63-I82 HydrophobicContact CB-CD1 3.89Å; W63-I82 HydrophobicContact CB-CG1 3.89Å; W63-I82 HydrophobicContact CD2-CD1 4.47Å; W63-I82 HydrophobicContact CE3-CD1 4.34Å; W63-I82 HydrophobicContact CE3-CG1 4.15Å; W63-I82 HydrophobicContact CG-CD1 4.32Å; Y78-I82 PolarHBondContact O-N 2.95Å; Y78-I82 VanDerWaalsContact O-N 3.09Å; E79-I82 WeakPolarHBondContact O-CG2 3.11Å; I82-P122 HydrophobicContact CD1-CB 4.18Å; I82-P122 HydrophobicContact CD1-CG 3.06Å; I82-P122 HydrophobicContact CG1-CG 4.44Å
83	K	94.1	Very high	88.4	Confident	142 Å²	142	56.2 Å²	56.2	62%	0.617	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.2	-174.5	-62.3	-176.2	-179.6	-177.4	0	110.3	W63 Y64	W63-K83 CarbonylContact C-O 3.46Å; W63-K83 WeakPolarHBondContact CA-O 3.35Å; Y64-K83 PolarHBondContact N-O 3.48Å; Y64-K83 PolarHBondContact O-N 3.43Å
84	Q	95.8	Very high	89.9	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.318	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.2	171.5	-169.4	175.8	9.2	0	0	109.7	T61 W63 T87	T61-Q84 HydrophobicContact CG2-CG 3.4Å; W63-Q84 HydrophobicContact CD2-CB 4.24Å; W63-Q84 HydrophobicContact CD2-CG 4.48Å; W63-Q84 HydrophobicContact CE3-CB 3.82Å; W63-Q84 HydrophobicContact CH2-CB 4.14Å; W63-Q84 HydrophobicContact CH2-CG 4.43Å; W63-Q84 HydrophobicContact CZ2-CG 4.41Å; W63-Q84 HydrophobicContact CZ3-CB 3.77Å; W63-Q84 HydrophobicContact CZ3-CG 4.49Å; Q84-T87 PolarHBondContact NE2-OG1 3.25Å
85	I	97	Very high	91	Very high	74 Å²	74	55.2 Å²	55.2	38%	0.379	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-49.8	173.7	-63.5	174.7	0	0	0	109.6	F62 F97 M101 F113	F62-I85 HydrophobicContact CB-CB 3.93Å; F62-I85 HydrophobicContact CB-CD1 4.24Å; F62-I85 HydrophobicContact CB-CG2 4.5Å; F62-I85 PolarHBondContact O-N 3.49Å; I85-F97 HydrophobicContact CG2-CD1 4.24Å; I85-F97 HydrophobicContact CG2-CE1 4.46Å; I85-M101 HydrophobicContact CD1-CE 4.02Å; I85-F113 HydrophobicContact CD1-CD1 4.33Å; I85-F113 HydrophobicContact CD1-CE1 4.12Å
86	G	97.3	Very high	92.2	Very high	12 Å²	12	60 Å²	60	12%	0.124	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	163.9	-177.8	0	0	0	0	0	112.8	T61 F62	T61-G86 CarbonylContact C-O 3.51Å; T61-G86 WeakPolarHBondContact CA-O 3.43Å; F62-G86 PolarHBondContact N-O 2.99Å
87	T	98.4	Very high	93.4	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.2	178	-59.5	0	0	0	0	109.6	V47 N59 Y60 T61 Q84 E118	V47-T87 HydrophobicContact CB-CG2 4.26Å; V47-T87 HydrophobicContact CG2-CG2 4.04Å; N59-T87 HydrophobicContact CB-CG2 4.14Å; Y60-T87 CarbonylContact O-C 3.57Å; Y60-T87 VanDerWaalsContact O-CA 3.25Å; Y60-T87 WeakPolarHBondContact O-CA 3.32Å; Y60-T87 WeakPolarHBondContact O-CG2 3.47Å; T61-T87 PolarHBondContact OG1-OG1 3.4Å; Q84-T87 PolarHBondContact NE2-OG1 3.25Å; T87-E118 HydrophobicContact CG2-CB 4.3Å; T87-E118 HydrophobicContact CG2-CG 4.25Å
88	F	98.7	Very high	94.5	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	177.6	56.8	-92.8	0	0	0	111.3	L56 N59 Y60 F62 Q93 F94 F97 L115 L156	L56-F88 HydrophobicContact CD1-CD2 3.56Å; L56-F88 HydrophobicContact CD1-CE2 3.52Å; N59-F88 WeakPolarHBondContact CA-O 3.22Å; Y60-F88 PolarHBondContact N-O 3.4Å; Y60-F88 WeakPolarHBondContact O-CD1 2.99Å; Y60-F88 PolarHBondContact O-N 3.42Å; F62-F88 HydrophobicContact CD2-CD1 4.23Å; F62-F88 AromaticContact CD2-CE1 3.59Å; F62-F88 HydrophobicContact CD2-CE1 3.59Å; F62-F88 HydrophobicContact CE2-CD1 4.46Å; F62-F88 AromaticContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CE1 3.62Å; F62-F88 HydrophobicContact CE2-CZ 4.24Å; F62-F88 HydrophobicContact CG-CE1 4.48Å; F88-Q93 HydrophobicContact CB-CB 3.56Å; F88-F94 HydrophobicContact CD2-CB 3.67Å; F88-F94 HydrophobicContact CE1-CD2 4.16Å; F88-F94 HydrophobicContact CE2-CB 3.6Å; F88-F94 AromaticContact CE2-CD2 3.87Å; F88-F94 HydrophobicContact CE2-CD2 3.87Å; F88-F94 HydrophobicContact CE2-CG 4.15Å; F88-F94 HydrophobicContact CG-CB 4.25Å; F88-F94 HydrophobicContact CZ-CB 4.12Å; F88-F94 AromaticContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CE2 4.49Å; F88-F94 HydrophobicContact CZ-CG 4.29Å; F88-F97 HydrophobicContact CB-CD2 4.06Å; F88-F97 HydrophobicContact CB-CE2 4.06Å; F88-F97 AromaticContact CD1-CD2 3.98Å; F88-F97 HydrophobicContact CD1-CD2 3.98Å; F88-F97 HydrophobicContact CD1-CE2 4.45Å; F88-F97 HydrophobicContact CG-CD2 4.42Å; F88-L115 HydrophobicContact CE1-CD1 3.66Å; F88-L115 HydrophobicContact CZ-CD1 3.63Å; F88-L115 HydrophobicContact CZ-CD2 4.33Å; F88-L156 HydrophobicContact CE2-CD1 3.96Å; F88-L156 HydrophobicContact CE2-CD2 3.86Å; F88-L156 HydrophobicContact CZ-CD1 4.05Å; F88-L156 HydrophobicContact CZ-CD2 4.06Å
89	A	98.7	Very high	95.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-7	-176.2	0	0	0	0	0	113.9	V47 P49 L56 N59	V47-A89 HydrophobicContact CG1-CB 3.98Å; P49-A89 HydrophobicContact CG-CB 4.1Å; L56-A89 PolarHBondContact N-O 2.96Å; N59-A89 WeakPolarHBondContact OD1-CA 3.42Å; N59-A89 WeakPolarHBondContact OD1-CB 3.17Å
90	S	98.7	Very high	96.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164.1	-177.2	66.6	0	0	0	0	112.1	E53 H54 E92 Q93 F94	E53-S90 WeakPolarHBondContact OE2-CB 3.37Å; E53-S90 PolarHBondContact OE2-OG 2.85Å; H54-S90 CarbonylContact O-C 3.6Å; H54-S90 WeakPolarHBondContact O-CA 3.42Å; H54-S90 VanDerWaalsContact O-CB 3.25Å; H54-S90 WeakPolarHBondContact O-CB 3.09Å; S90-E92 VanDerWaalsContact C-N 3.3Å; S90-E92 PolarHBondContact O-N 3.17Å; S90-Q93 PolarHBondContact O-N 3.12Å; S90-Q93 WeakPolarHBondContact OG-CB 3.3Å; S90-Q93 WeakPolarHBondContact OG-CG 3.45Å; S90-Q93 PolarHBondContact OG-N 3.39Å; S90-Q93 VanDerWaalsContact OG-N 3.12Å; S90-F94 PolarHBondContact O-N 3.15Å
91	V	98.8	Very high	97	Very high	54 Å²	54	54.1 Å²	54.1	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-39.6	175.7	176.6	0	0	0	0	111	H54 L56 F94 W95	H54-V91 HydrophobicContact CB-CB 4.23Å; H54-V91 HydrophobicContact CB-CG2 4.1Å; H54-V91 PolarHBondContact O-N 3.39Å; L56-V91 HydrophobicContact CD2-CG2 3.84Å; V91-F94 WeakPolarHBondContact O-CB 3.44Å; V91-F94 PolarHBondContact O-N 3.4Å; V91-W95 PolarHBondContact O-N 2.97Å
92	E	98.7	Very high	97.5	Very high	52 Å²	52	54.2 Å²	54.2	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-43.4	178.4	-67.3	77.9	-178.3	0	0	111.3	E53 H54 S90 F94 W95 R96	E53-E92 VanDerWaalsContact CA-OE2 3.31Å; E53-E92 WeakPolarHBondContact CA-OE2 3.39Å; E53-E92 HydrophobicContact CB-CB 4.48Å; E53-E92 HydrophobicContact CB-CG 4.43Å; E53-E92 VanDerWaalsContact CB-OE2 3.29Å; E53-E92 WeakPolarHBondContact CB-OE2 3.3Å; E53-E92 HydrophobicContact CG-CB 3.98Å; E53-E92 HydrophobicContact CG-CG 4.11Å; H54-E92 IonicContact CE1-OE1 2.67Å; H54-E92 IonicContact CG-OE1 2.71Å; H54-E92 PolarHBondContact N-OE1 3.2Å; H54-E92 PolarHBondContact N-OE2 2.71Å; H54-E92 IonicContact ND1-OE1 3.74Å; H54-E92 PolarHBondContact ND1-OE1 2.99Å; S90-E92 VanDerWaalsContact C-N 3.3Å; S90-E92 PolarHBondContact O-N 3.17Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-W95 PolarHBondContact O-N 2.83Å; E92-R96 WeakPolarHBondContact O-CG 2.98Å; E92-R96 PolarHBondContact O-N 2.83Å
93	Q	98.7	Very high	97.9	Very high	23 Å²	23	57.3 Å²	57.3	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-40.7	174.8	-70.9	170.3	26.5	0	0	111.3	V48 E53 F88 S90 W95 R96 F97	V48-Q93 PolarHBondContact O-NE2 3.36Å; E53-Q93 WeakPolarHBondContact OE2-CG 3.25Å; E53-Q93 PolarHBondContact OE2-NE2 3.41Å; F88-Q93 HydrophobicContact CB-CB 3.56Å; S90-Q93 PolarHBondContact O-N 3.12Å; S90-Q93 WeakPolarHBondContact OG-CB 3.3Å; S90-Q93 WeakPolarHBondContact OG-CG 3.45Å; S90-Q93 PolarHBondContact OG-N 3.39Å; S90-Q93 VanDerWaalsContact OG-N 3.12Å; Q93-W95 PolarHBondContact O-N 3.1Å; Q93-R96 WeakPolarHBondContact O-CB 3.4Å; Q93-R96 PolarHBondContact O-N 2.71Å; Q93-F97 VanDerWaalsContact O-CD2 3.27Å; Q93-F97 WeakPolarHBondContact O-CD2 3.4Å; Q93-F97 PolarHBondContact O-N 3.14Å
94	F	98.7	Very high	98.1	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-52.8	171.8	162.6	-105.1	0	0	0	111.1	F62 F88 S90 V91 E92 R96 F97 Y98 I152 L153 L156	F62-F94 HydrophobicContact CE2-CD2 4.1Å; F62-F94 HydrophobicContact CE2-CE2 4.12Å; F62-F94 HydrophobicContact CZ-CD2 4.34Å; F62-F94 AromaticContact CZ-CE2 3.91Å; F62-F94 HydrophobicContact CZ-CE2 3.91Å; F88-F94 HydrophobicContact CD2-CB 3.67Å; F88-F94 HydrophobicContact CE1-CD2 4.16Å; F88-F94 HydrophobicContact CE2-CB 3.6Å; F88-F94 AromaticContact CE2-CD2 3.87Å; F88-F94 HydrophobicContact CE2-CD2 3.87Å; F88-F94 HydrophobicContact CE2-CG 4.15Å; F88-F94 HydrophobicContact CG-CB 4.25Å; F88-F94 HydrophobicContact CZ-CB 4.12Å; F88-F94 AromaticContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CD2 3.57Å; F88-F94 HydrophobicContact CZ-CE2 4.49Å; F88-F94 HydrophobicContact CZ-CG 4.29Å; S90-F94 PolarHBondContact O-N 3.15Å; V91-F94 WeakPolarHBondContact O-CB 3.44Å; V91-F94 PolarHBondContact O-N 3.4Å; E92-F94 VanDerWaalsContact C-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.41Å; F94-F97 PolarHBondContact O-N 2.96Å; F94-F97 VanDerWaalsContact O-N 3.15Å; F94-Y98 HydrophobicContact CE1-CD1 4.42Å; F94-Y98 HydrophobicContact CE1-CG 4.47Å; F94-Y98 HydrophobicContact CE2-CD2 4.27Å; F94-Y98 HydrophobicContact CE2-CG 4.05Å; F94-Y98 AromaticContact CZ-CD1 3.96Å; F94-Y98 HydrophobicContact CZ-CD1 3.96Å; F94-Y98 HydrophobicContact CZ-CD2 4.25Å; F94-Y98 AromaticContact CZ-CG 3.76Å; F94-Y98 HydrophobicContact CZ-CG 3.76Å; F94-Y98 WeakPolarHBondContact O-CB 3.46Å; F94-Y98 PolarHBondContact O-N 3.19Å; F94-I152 HydrophobicContact CE2-CD1 3.88Å; F94-I152 HydrophobicContact CE2-CG1 4.41Å; F94-I152 HydrophobicContact CZ-CD1 3.81Å; F94-I152 HydrophobicContact CZ-CG1 4.18Å; F94-L153 HydrophobicContact CE1-CD2 3.74Å; F94-L153 HydrophobicContact CZ-CD2 4.15Å; F94-L156 HydrophobicContact CB-CD1 4.36Å; F94-L156 HydrophobicContact CD1-CD1 4.15Å; F94-L156 HydrophobicContact CD2-CD1 3.33Å; F94-L156 HydrophobicContact CE1-CD1 4.3Å; F94-L156 HydrophobicContact CE2-CD1 3.5Å; F94-L156 VanDerWaalsContact CE2-CD1 3.5Å; F94-L156 HydrophobicContact CG-CD1 3.66Å; F94-L156 HydrophobicContact CZ-CD1 4Å
95	W	98.7	Very high	98	Very high	102 Å²	102	49 Å²	49	39%	0.386	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-32.3	-179	-78.2	113.5	0	0	0	112.9	V91 E92 Q93 F97 Y98 S99 L153	V91-W95 PolarHBondContact O-N 2.97Å; E92-W95 PolarHBondContact O-N 2.83Å; Q93-W95 PolarHBondContact O-N 3.1Å; W95-F97 VanDerWaalsContact C-N 3.32Å; W95-F97 PolarHBondContact O-N 2.64Å; W95-Y98 AromaticContact CE3-CD1 3.98Å; W95-Y98 HydrophobicContact CE3-CD1 3.98Å; W95-Y98 HydrophobicContact CH2-CD1 4.34Å; W95-Y98 AromaticContact CZ3-CD1 3.59Å; W95-Y98 HydrophobicContact CZ3-CD1 3.59Å; W95-Y98 HydrophobicContact CZ3-CE1 4.1Å; W95-Y98 PolarHBondContact O-N 3.06Å; W95-S99 WeakPolarHBondContact O-CB 3.06Å; W95-S99 PolarHBondContact O-N 3.05Å; W95-S99 PolarHBondContact O-OG 3.12Å; W95-L153 HydrophobicContact CZ2-CD2 3.94Å
96	R	98.2	Very high	98	Very high	151 Å²	151	51 Å²	51	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-58.5	-41.6	171.5	-74.5	175.2	-173.9	144.7	8.9	112.3	E53 E92 Q93 F94 H100	E53-R96 IonicContact OE1-CZ 3.74Å; E53-R96 IonicContact OE1-NH1 2.74Å; E53-R96 PolarHBondContact OE1-NH1 2.92Å; E53-R96 IonicContact OE1-NH2 3.68Å; E53-R96 PolarHBondContact OE1-NH2 2.86Å; E53-R96 VanDerWaalsContact OE1-NH2 3.13Å; E92-R96 WeakPolarHBondContact O-CG 2.98Å; E92-R96 PolarHBondContact O-N 2.83Å; Q93-R96 WeakPolarHBondContact O-CB 3.4Å; Q93-R96 PolarHBondContact O-N 2.71Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.41Å; R96-H100 PolarHBondContact O-ND1 2.91Å
97	F	98.4	Very high	97.9	Very high	65 Å²	65	51.9 Å²	51.9	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-57.4	172.4	-76.7	-75.9	0	0	0	111.3	F62 I85 F88 Q93 F94 W95 S99 H100 M101	F62-F97 HydrophobicContact CD2-CB 4.11Å; F62-F97 HydrophobicContact CE2-CB 4.19Å; I85-F97 HydrophobicContact CG2-CD1 4.24Å; I85-F97 HydrophobicContact CG2-CE1 4.46Å; F88-F97 HydrophobicContact CB-CD2 4.06Å; F88-F97 HydrophobicContact CB-CE2 4.06Å; F88-F97 AromaticContact CD1-CD2 3.98Å; F88-F97 HydrophobicContact CD1-CD2 3.98Å; F88-F97 HydrophobicContact CD1-CE2 4.45Å; F88-F97 HydrophobicContact CG-CD2 4.42Å; Q93-F97 VanDerWaalsContact O-CD2 3.27Å; Q93-F97 WeakPolarHBondContact O-CD2 3.4Å; Q93-F97 PolarHBondContact O-N 3.14Å; F94-F97 PolarHBondContact O-N 2.96Å; F94-F97 VanDerWaalsContact O-N 3.15Å; W95-F97 VanDerWaalsContact C-N 3.32Å; W95-F97 PolarHBondContact O-N 2.64Å; F97-S99 VanDerWaalsContact C-N 3.34Å; F97-S99 PolarHBondContact O-N 3.36Å; F97-H100 PolarHBondContact O-N 2.93Å; F97-M101 WeakPolarHBondContact O-CG 3.48Å; F97-M101 PolarHBondContact O-N 2.95Å
98	Y	98.5	Very high	97.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-35.7	-166.7	-170.6	-111.8	0	0	0	113.4	F62 F94 W95 H100 M101 R103 W148 E149 I152	F62-Y98 AromaticContact CZ-CD2 3.96Å; F62-Y98 HydrophobicContact CZ-CD2 3.96Å; F94-Y98 HydrophobicContact CE1-CD1 4.42Å; F94-Y98 HydrophobicContact CE1-CG 4.47Å; F94-Y98 HydrophobicContact CE2-CD2 4.27Å; F94-Y98 HydrophobicContact CE2-CG 4.05Å; F94-Y98 AromaticContact CZ-CD1 3.96Å; F94-Y98 HydrophobicContact CZ-CD1 3.96Å; F94-Y98 HydrophobicContact CZ-CD2 4.25Å; F94-Y98 AromaticContact CZ-CG 3.76Å; F94-Y98 HydrophobicContact CZ-CG 3.76Å; F94-Y98 WeakPolarHBondContact O-CB 3.46Å; F94-Y98 PolarHBondContact O-N 3.19Å; W95-Y98 AromaticContact CE3-CD1 3.98Å; W95-Y98 HydrophobicContact CE3-CD1 3.98Å; W95-Y98 HydrophobicContact CH2-CD1 4.34Å; W95-Y98 AromaticContact CZ3-CD1 3.59Å; W95-Y98 HydrophobicContact CZ3-CD1 3.59Å; W95-Y98 HydrophobicContact CZ3-CE1 4.1Å; W95-Y98 PolarHBondContact O-N 3.06Å; Y98-H100 PolarHBondContact O-N 3.36Å; Y98-M101 HydrophobicContact CD2-SD 4.42Å; Y98-M101 PolarHBondContact O-N 2.79Å; Y98-R103 PolarHBondContact OH-NH1 3.18Å; Y98-W148 AromaticContact CE2-NE1 3.83Å; Y98-E149 HydrophobicContact CE1-CG 4.01Å; Y98-E149 WeakPolarHBondContact CE1-OE2 3.29Å; Y98-E149 WeakPolarHBondContact OH-CB 3.26Å; Y98-I152 HydrophobicContact CD2-CD1 3.92Å; Y98-I152 HydrophobicContact CE2-CD1 3.47Å; Y98-I152 VanDerWaalsContact CE2-CD1 3.47Å
99	S	97.9	Very high	97.1	Very high	78 Å²	78	57.9 Å²	57.9	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.9	175.9	57.3	0	0	0	0	114.3	W95 F97	W95-S99 WeakPolarHBondContact O-CB 3.06Å; W95-S99 PolarHBondContact O-N 3.05Å; W95-S99 PolarHBondContact O-OG 3.12Å; F97-S99 VanDerWaalsContact C-N 3.34Å; F97-S99 PolarHBondContact O-N 3.36Å
100	H	97.7	Very high	96.8	Very high	163 Å²	163	60.5 Å²	60.5	76%	0.755	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.5	179.1	-65.5	86.3	0	0	0	112.8	R96 F97 Y98	R96-H100 PolarHBondContact O-ND1 2.91Å; F97-H100 PolarHBondContact O-N 2.93Å; Y98-H100 PolarHBondContact O-N 3.36Å
101	M	97.7	Very high	96.6	Very high	28 Å²	28	60.5 Å²	60.5	14%	0.138	32%	0.318	C	S	.	.	S	Bend	trans	-86.6	137.1	176.3	-69.9	173.7	69.7	0	0	110.6	F62 I85 F97 Y98 R103 F113	F62-M101 HydrophobicContact CD1-CE 3.74Å; F62-M101 HydrophobicContact CD1-SD 4.06Å; F62-M101 HydrophobicContact CD2-SD 3.82Å; F62-M101 HydrophobicContact CE1-CE 3.87Å; F62-M101 HydrophobicContact CE1-SD 4.02Å; F62-M101 HydrophobicContact CE2-SD 3.78Å; F62-M101 HydrophobicContact CG-CE 4.1Å; F62-M101 HydrophobicContact CG-SD 3.97Å; F62-M101 HydrophobicContact CZ-CE 4.34Å; F62-M101 HydrophobicContact CZ-SD 3.88Å; I85-M101 HydrophobicContact CD1-CE 4.02Å; F97-M101 WeakPolarHBondContact O-CG 3.48Å; F97-M101 PolarHBondContact O-N 2.95Å; Y98-M101 HydrophobicContact CD2-SD 4.42Å; Y98-M101 PolarHBondContact O-N 2.79Å; M101-R103 PolarHBondContact O-N 2.77Å; M101-F113 HydrophobicContact CE-CD1 3.53Å; M101-F113 HydrophobicContact CE-CD2 4.34Å; M101-F113 HydrophobicContact CE-CE1 3.4Å; M101-F113 VanDerWaalsContact CE-CE1 3.4Å; M101-F113 HydrophobicContact CE-CE2 4.21Å; M101-F113 HydrophobicContact CE-CG 4.02Å; M101-F113 HydrophobicContact CE-CZ 3.76Å
102	V	97.5	Very high	96.5	Very high	80 Å²	80	58.1 Å²	58.1	49%	0.485	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-59	137.1	167.3	-180	0	0	0	0	108.7	D106 L107 F113	V102-D106 HydrophobicContact CG1-CB 3.79Å; V102-L107 HydrophobicContact CB-CD2 4.09Å; V102-L107 HydrophobicContact CG1-CD2 3.94Å; V102-L107 HydrophobicContact CG1-CG 4.45Å; V102-F113 VanDerWaalsContact O-CE2 3.25Å; V102-F113 WeakPolarHBondContact O-CE2 3.45Å
103	R	97.9	Very high	96.5	Very high	85 Å²	85	56.1 Å²	56.1	32%	0.321	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-68.2	146	178.1	-59.5	-58.2	-167.1	139	0.9	109.9	Y98 M101 G105 D106 L107 E149	Y98-R103 PolarHBondContact OH-NH1 3.18Å; M101-R103 PolarHBondContact O-N 2.77Å; R103-G105 PolarHBondContact O-N 3.06Å; R103-G105 VanDerWaalsContact O-N 3.16Å; R103-D106 PolarHBondContact O-N 3.26Å; R103-L107 PolarHBondContact O-N 2.86Å; R103-E149 IonicContact CZ-OE2 2.72Å; R103-E149 VanDerWaalsContact CZ-OE2 3.29Å; R103-E149 IonicContact NH1-OE2 3.53Å; R103-E149 PolarHBondContact NH1-OE2 3Å; R103-E149 IonicContact NH2-OE2 3.77Å; R103-E149 PolarHBondContact NH2-OE2 2.82Å
104	P	97.1	Very high	96.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40	-178	-24.1	29.2	0	0	0	113.9	D106 L107 F113 W148 V171 V173	P104-D106 PolarHBondContact O-N 3.4Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 2.69Å; P104-F113 HydrophobicContact CG-CD2 4.14Å; P104-W148 HydrophobicContact CG-CB 4.04Å; P104-W148 VanDerWaalsContact CG-CD1 3.49Å; P104-W148 HydrophobicContact CG-CG 3.87Å; P104-V171 HydrophobicContact CB-CG1 4.08Å; P104-V171 HydrophobicContact CB-CG2 3.85Å; P104-V171 HydrophobicContact CG-CG1 3.79Å; P104-V171 HydrophobicContact CG-CG2 4.22Å; P104-V173 HydrophobicContact CB-CG2 4.24Å; P104-V173 VanDerWaalsContact O-CG2 3.23Å; P104-V173 WeakPolarHBondContact O-CG2 3.39Å
105	G	95.5	Very high	96.5	Very high	35 Å²	35	55 Å²	55	36%	0.361	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-65.5	-17.8	179	0	0	0	0	0	115.1	R103 S145	R103-G105 PolarHBondContact O-N 3.06Å; R103-G105 VanDerWaalsContact O-N 3.16Å; G105-S145 WeakPolarHBondContact CA-OG 3.2Å; G105-S145 PolarHBondContact N-OG 3.27Å
106	D	96.4	Very high	96.5	Very high	116 Å²	116	50.2 Å²	50.2	62%	0.62	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-99.7	-1.7	179.9	-54.4	-36.2	0	0	0	112.1	V102 R103 P104	V102-D106 HydrophobicContact CG1-CB 3.79Å; R103-D106 PolarHBondContact O-N 3.26Å; P104-D106 PolarHBondContact O-N 3.4Å
107	L	94.8	Very high	96.5	Very high	30 Å²	30	43.5 Å²	43.5	16%	0.157	25%	0.245	C	C	.	.			trans	-72.3	146.5	174.6	-66.8	176.7	0	0	0	111	Y64 V102 R103 P104 F113 V173	Y64-L107 HydrophobicContact CE2-CD1 4.4Å; V102-L107 HydrophobicContact CB-CD2 4.09Å; V102-L107 HydrophobicContact CG1-CD2 3.94Å; V102-L107 HydrophobicContact CG1-CG 4.45Å; R103-L107 PolarHBondContact O-N 2.86Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 2.69Å; L107-F113 HydrophobicContact CD1-CD2 4Å; L107-F113 HydrophobicContact CD1-CE2 3.58Å; L107-F113 HydrophobicContact CD1-CZ 4.04Å; L107-F113 HydrophobicContact CD2-CE2 4.4Å; L107-F113 HydrophobicContact CD2-CZ 4.27Å; L107-F113 HydrophobicContact CG-CE2 4.26Å; L107-V173 HydrophobicContact CB-CG2 4.31Å; L107-V173 HydrophobicContact CD1-CG2 4.13Å
108	T	90.9	Very high	96.4	Very high	100 Å²	100	44.8 Å²	44.8	61%	0.613	25%	0.252	S	S	*	.			trans	-100.6	149.8	175.2	62.4	0	0	0	0	111.8	S111	T108-S111 PolarHBondContact O-OG 3.01Å
109	G	89.2	Confident	96.3	Very high	45 Å²	45	48 Å²	48	46%	0.464	29%	0.287	S	S	.	.	S	Bend	trans	65.6	-163.9	178.5	0	0	0	0	0	113.8	S111	G109-S111 PolarHBondContact O-N 3.43Å
110	H	92.3	Very high	96.3	Very high	56 Å²	56	45.2 Å²	45.2	26%	0.259	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	98.1	179.9	-69.8	-165.8	0	0	0	109.6	R67 V173	R67-H110 HydrophobicContact CB-CB 3.99Å; R67-H110 PolarHBondContact N-O 2.89Å; H110-V173 WeakPolarHBondContact CA-O 3.2Å
111	S	94.2	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.7	-174	-59.8	0	0	0	0	110.4	Y64 S65 T108 G109 V173 R174	Y64-S111 PolarHBondContact OH-OG 3.14Å; S65-S111 CarbonylContact O-C 3.59Å; S65-S111 WeakPolarHBondContact O-CA 3.2Å; T108-S111 PolarHBondContact O-OG 3.01Å; G109-S111 PolarHBondContact O-N 3.43Å; S111-V173 PolarHBondContact N-O 3.15Å; S111-V173 PolarHBondContact O-N 3.32Å; S111-R174 PolarHBondContact O-NH1 3.38Å
112	D	97	Very high	96.1	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.5	-179.7	-47.3	-95.9	0	0	0	110.3	Y64 S65 H114 V171 S172 R174	Y64-D112 WeakPolarHBondContact CA-O 3.36Å; Y64-D112 WeakPolarHBondContact CD2-O 3.3Å; S65-D112 PolarHBondContact N-O 3.35Å; S65-D112 PolarHBondContact O-N 2.95Å; S65-D112 WeakPolarHBondContact OG-CB 3.14Å; S65-D112 PolarHBondContact OG-OD2 3.34Å; D112-H114 WeakPolarHBondContact CB-NE2 3.19Å; D112-V171 CarbonylContact C-O 3.44Å; D112-V171 WeakPolarHBondContact CA-O 3.25Å; D112-S172 WeakPolarHBondContact OD1-CA 3.45Å; D112-S172 WeakPolarHBondContact OD1-CB 3.25Å; D112-S172 PolarHBondContact OD1-OG 2.88Å; D112-R174 IonicContact OD1-CZ 3.29Å; D112-R174 VanDerWaalsContact OD1-CZ 3.28Å; D112-R174 IonicContact OD1-NH1 3.28Å; D112-R174 PolarHBondContact OD1-NH1 3.16Å; D112-R174 IonicContact OD1-NH2 2.62Å; D112-R174 PolarHBondContact OD1-NH2 3.13Å; D112-R174 IonicContact OD2-NH1 3.97Å; D112-R174 IonicContact OD2-NH2 2.71Å
113	F	98.3	Very high	95.9	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.9	160.2	-72.4	-55.8	0	0	0	109.5	W63 Y64 I85 M101 V102 P104 L107 W148 V170 V171	W63-F113 WeakPolarHBondContact O-CA 3.36Å; Y64-F113 AromaticContact CD2-CD1 3.83Å; Y64-F113 HydrophobicContact CD2-CD1 3.83Å; Y64-F113 AromaticContact CD2-CE1 3.6Å; Y64-F113 HydrophobicContact CD2-CE1 3.6Å; Y64-F113 HydrophobicContact CD2-CZ 4.36Å; Y64-F113 HydrophobicContact CE2-CE1 4.39Å; Y64-F113 HydrophobicContact CG-CE1 4.32Å; I85-F113 HydrophobicContact CD1-CD1 4.33Å; I85-F113 HydrophobicContact CD1-CE1 4.12Å; M101-F113 HydrophobicContact CE-CD1 3.53Å; M101-F113 HydrophobicContact CE-CD2 4.34Å; M101-F113 HydrophobicContact CE-CE1 3.4Å; M101-F113 VanDerWaalsContact CE-CE1 3.4Å; M101-F113 HydrophobicContact CE-CE2 4.21Å; M101-F113 HydrophobicContact CE-CG 4.02Å; M101-F113 HydrophobicContact CE-CZ 3.76Å; V102-F113 VanDerWaalsContact O-CE2 3.25Å; V102-F113 WeakPolarHBondContact O-CE2 3.45Å; P104-F113 HydrophobicContact CG-CD2 4.14Å; L107-F113 HydrophobicContact CD1-CD2 4Å; L107-F113 HydrophobicContact CD1-CE2 3.58Å; L107-F113 HydrophobicContact CD1-CZ 4.04Å; L107-F113 HydrophobicContact CD2-CE2 4.4Å; L107-F113 HydrophobicContact CD2-CZ 4.27Å; L107-F113 HydrophobicContact CG-CE2 4.26Å; F113-W148 HydrophobicContact CB-CZ2 4.14Å; F113-V170 WeakPolarHBondContact O-CA 3.33Å; F113-V171 HydrophobicContact CB-CG1 3.77Å; F113-V171 HydrophobicContact CD2-CG1 4.3Å; F113-V171 PolarHBondContact N-O 2.89Å; F113-V171 PolarHBondContact O-N 3.41Å
114	H	98.5	Very high	95.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.5	174.6	-41.1	-100.6	0	0	0	108.3	F62 W63 S65 Y78 D112 F116 P122 A169 V170	F62-H114 CarbonylContact C-O 3.52Å; F62-H114 WeakPolarHBondContact CA-O 3.29Å; W63-H114 HydrophobicContact CB-CB 4.02Å; W63-H114 PolarHBondContact N-O 3.4Å; W63-H114 PolarHBondContact O-N 3.35Å; S65-H114 PolarHBondContact OG-NE2 2.88Å; Y78-H114 PolarHBondContact OH-CE1 3.46Å; Y78-H114 VanDerWaalsContact OH-CE1 3.24Å; D112-H114 WeakPolarHBondContact CB-NE2 3.19Å; H114-F116 HydrophobicContact CB-CD2 3.92Å; H114-F116 HydrophobicContact CB-CE2 3.93Å; H114-P122 HydrophobicContact CB-CB 3.86Å; H114-P122 HydrophobicContact CB-CG 4.09Å; H114-A169 CarbonylContact C-O 3.58Å; H114-A169 WeakPolarHBondContact CA-O 3.45Å; H114-V170 HydrophobicContact CB-CG2 4.44Å; H114-V170 WeakPolarHBondContact ND1-CG2 3.41Å
115	L	98.8	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.4	173	-179.4	61.1	0	0	0	108.6	Y60 F62 F88 W148 I152 M155 L156 G168 A169	Y60-L115 HydrophobicContact CD1-CG 4.33Å; F62-L115 HydrophobicContact CD1-CB 4.1Å; F62-L115 HydrophobicContact CD1-CD1 3.81Å; F62-L115 HydrophobicContact CD1-CG 4.43Å; F62-L115 HydrophobicContact CD2-CD1 4.15Å; F62-L115 HydrophobicContact CE1-CB 3.97Å; F62-L115 HydrophobicContact CE1-CD1 3.88Å; F62-L115 HydrophobicContact CE1-CD2 4.05Å; F62-L115 HydrophobicContact CE1-CG 4.19Å; F62-L115 HydrophobicContact CE2-CD1 4.21Å; F62-L115 HydrophobicContact CG-CD1 3.94Å; F62-L115 HydrophobicContact CZ-CD1 4.08Å; F62-L115 HydrophobicContact CZ-CD2 4.07Å; F88-L115 HydrophobicContact CE1-CD1 3.66Å; F88-L115 HydrophobicContact CZ-CD1 3.63Å; F88-L115 HydrophobicContact CZ-CD2 4.33Å; L115-W148 HydrophobicContact CB-CH2 3.86Å; L115-W148 HydrophobicContact CB-CZ2 4.1Å; L115-I152 HydrophobicContact CD2-CB 3.78Å; L115-I152 HydrophobicContact CD2-CG2 3.74Å; L115-M155 HydrophobicContact CB-CE 4.04Å; L115-M155 HydrophobicContact CD2-CE 3.55Å; L115-M155 HydrophobicContact CG-CE 3.62Å; L115-M155 WeakPolarHBondContact O-CE 3.44Å; L115-L156 HydrophobicContact CD2-CD1 4.27Å; L115-L156 HydrophobicContact CD2-CD2 4.23Å; L115-L156 HydrophobicContact CD2-CG 4.35Å; L115-G168 CarbonylContact O-C 3.59Å; L115-G168 WeakPolarHBondContact O-CA 3.34Å; L115-A169 PolarHBondContact N-O 3.2Å; L115-A169 PolarHBondContact O-N 3.07Å
116	F	98.7	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.5	-173.3	-81.2	-112.8	0	0	0	110.2	Y60 T61 H114 I120 P122 C167 V170 W183	Y60-F116 CarbonylContact C-O 3.58Å; Y60-F116 WeakPolarHBondContact CA-O 3.34Å; T61-F116 PolarHBondContact N-O 2.93Å; T61-F116 PolarHBondContact O-N 3.02Å; T61-F116 VanDerWaalsContact O-N 3.13Å; H114-F116 HydrophobicContact CB-CD2 3.92Å; H114-F116 HydrophobicContact CB-CE2 3.93Å; F116-I120 HydrophobicContact CD1-CB 4.5Å; F116-I120 HydrophobicContact CD1-CG2 3.86Å; F116-P122 HydrophobicContact CD1-CB 4.19Å; F116-P122 HydrophobicContact CD2-CB 3.56Å; F116-P122 HydrophobicContact CE1-CB 4.06Å; F116-P122 HydrophobicContact CE2-CB 3.45Å; F116-P122 VanDerWaalsContact CE2-CB 3.45Å; F116-P122 HydrophobicContact CG-CB 3.95Å; F116-P122 HydrophobicContact CZ-CB 3.7Å; F116-C167 WeakPolarHBondContact CA-O 3.5Å; F116-C167 HydrophobicContact CD1-CB 4.24Å; F116-C167 HydrophobicContact CE1-CB 4.2Å; F116-V170 HydrophobicContact CE2-CG2 3.63Å; F116-V170 HydrophobicContact CZ-CG2 3.94Å; F116-W183 HydrophobicContact CE1-CB 4.23Å; F116-W183 HydrophobicContact CE1-CD2 4.08Å; F116-W183 AromaticContact CE1-CE3 3.95Å; F116-W183 HydrophobicContact CE1-CE3 3.95Å; F116-W183 HydrophobicContact CE1-CG 4.22Å; F116-W183 HydrophobicContact CZ-CB 4.29Å; F116-W183 AromaticContact CZ-CD2 3.75Å; F116-W183 HydrophobicContact CZ-CD2 3.75Å; F116-W183 AromaticContact CZ-CE3 3.99Å; F116-W183 HydrophobicContact CZ-CE3 3.99Å; F116-W183 AromaticContact CZ-CG 3.88Å; F116-W183 HydrophobicContact CZ-CG 3.88Å
117	K	98.6	Very high	94.9	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	144.5	172.5	-68.1	179.4	178.4	173.8	0	109.8	Y58 N59 Y60 G119 I120 I166 C167	Y58-K117 HydrophobicContact CD1-CD 4.23Å; Y58-K117 HydrophobicContact CD2-CD 4.05Å; Y58-K117 VanDerWaalsContact CE2-NZ 3.29Å; Y58-K117 HydrophobicContact CG-CD 3.89Å; Y58-K117 HydrophobicContact CG-CG 4.37Å; N59-K117 CarbonylContact O-C 3.52Å; N59-K117 WeakPolarHBondContact O-CA 3.48Å; Y60-K117 HydrophobicContact CD1-CG 4.06Å; Y60-K117 HydrophobicContact CE1-CB 4.49Å; Y60-K117 HydrophobicContact CE1-CG 3.52Å; Y60-K117 WeakPolarHBondContact OH-CE 3.47Å; K117-G119 PolarHBondContact O-N 3.49Å; K117-I120 HydrophobicContact CB-CD1 4.03Å; K117-I120 HydrophobicContact CB-CG1 4.44Å; K117-I120 PolarHBondContact O-N 3.35Å; K117-I166 VanDerWaalsContact CD-O 3.29Å; K117-I166 WeakPolarHBondContact CD-O 3.25Å; K117-I166 WeakPolarHBondContact CE-O 3.41Å; K117-I166 PolarHBondContact NZ-O 2.83Å; K117-C167 PolarHBondContact N-O 3.13Å
118	E	97.8	Very high	95	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	133.7	177	-178.6	174.1	-141.6	0	0	110	N59 T87	N59-E118 HydrophobicContact CB-CB 3.62Å; N59-E118 HydrophobicContact CB-CG 4.42Å; N59-E118 WeakPolarHBondContact CB-OE2 3.14Å; N59-E118 PolarHBondContact ND2-OE2 2.94Å; N59-E118 PolarHBondContact O-N 3.22Å; T87-E118 HydrophobicContact CG2-CB 4.3Å; T87-E118 HydrophobicContact CG2-CG 4.25Å
119	G	96	Very high	95.3	Very high	73 Å²	73	35.5 Å²	35.5	75%	0.753	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-11.4	-176.8	0	0	0	0	0	114.9	K117	K117-G119 PolarHBondContact O-N 3.49Å
120	I	97.6	Very high	95.6	Very high	18 Å²	18	38 Å²	38	9%	0.092	20%	0.2	C	C	.	.			trans	-102.3	117.3	174.8	-54.2	-179.9	0	0	0	109.4	F116 K117 A128 C167	F116-I120 HydrophobicContact CD1-CB 4.5Å; F116-I120 HydrophobicContact CD1-CG2 3.86Å; K117-I120 HydrophobicContact CB-CD1 4.03Å; K117-I120 HydrophobicContact CB-CG1 4.44Å; K117-I120 PolarHBondContact O-N 3.35Å; I120-A128 HydrophobicContact CD1-CB 3.71Å; I120-A128 HydrophobicContact CG1-CB 3.86Å; I120-A128 HydrophobicContact CG2-CB 4.06Å; I120-C167 HydrophobicContact CD1-CB 4.18Å; I120-C167 HydrophobicContact CG2-CB 4.39Å
121	K	95.6	Very high	95.7	Very high	87 Å²	87	40.7 Å²	40.7	38%	0.378	22%	0.216	S	C	.	.			trans	-74.4	139.5	169.6	-65.5	-177.7	-179.8	-178.1	0	109.3	E79 M123 D126 N129	E79-K121 IonicContact OE1-NZ 3.35Å; E79-K121 PolarHBondContact OE1-NZ 3.05Å; K121-M123 HydrophobicContact CB-CG 3.76Å; K121-M123 HydrophobicContact CB-SD 3.78Å; K121-M123 HydrophobicContact CD-SD 3.56Å; K121-M123 VanDerWaalsContact CD-SD 3.56Å; K121-M123 HydrophobicContact CG-SD 4.35Å; K121-M123 PolarHBondContact O-N 2.6Å; K121-D126 HydrophobicContact CB-CB 4.32Å; K121-D126 WeakPolarHBondContact CB-OD2 3.35Å; K121-D126 PolarHBondContact N-OD2 3.21Å; K121-N129 PolarHBondContact O-ND2 3.15Å
122	P	95.6	Very high	95.9	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.019	22%	0.216	C	C	.	.	S	Bend	trans	-76.7	58.1	177	35.2	-40.2	0	0	0	111.4	W63 I82 H114 F116	W63-P122 HydrophobicContact CD2-CG 4.29Å; W63-P122 HydrophobicContact CG-CG 4.11Å; I82-P122 HydrophobicContact CD1-CB 4.18Å; I82-P122 HydrophobicContact CD1-CG 3.06Å; I82-P122 HydrophobicContact CG1-CG 4.44Å; H114-P122 HydrophobicContact CB-CB 3.86Å; H114-P122 HydrophobicContact CB-CG 4.09Å; F116-P122 HydrophobicContact CD1-CB 4.19Å; F116-P122 HydrophobicContact CD2-CB 3.56Å; F116-P122 HydrophobicContact CE1-CB 4.06Å; F116-P122 HydrophobicContact CE2-CB 3.45Å; F116-P122 VanDerWaalsContact CE2-CB 3.45Å; F116-P122 HydrophobicContact CG-CB 3.95Å; F116-P122 HydrophobicContact CZ-CB 3.7Å
123	M	92.6	Very high	95.9	Very high	19 Å²	19	40.5 Å²	40.5	9%	0.094	22%	0.215	C	C	.	.	S	Bend	trans	-140.6	148.9	-179.3	71.1	-168.5	-54.6	0	0	109	Y78 E79 K121 E125 D126 N129	Y78-M123 HydrophobicContact CE1-CB 4.46Å; E79-M123 HydrophobicContact CB-CE 4.49Å; K121-M123 HydrophobicContact CB-CG 3.76Å; K121-M123 HydrophobicContact CB-SD 3.78Å; K121-M123 HydrophobicContact CD-SD 3.56Å; K121-M123 VanDerWaalsContact CD-SD 3.56Å; K121-M123 HydrophobicContact CG-SD 4.35Å; K121-M123 PolarHBondContact O-N 2.6Å; M123-E125 WeakPolarHBondContact CB-OE2 3.33Å; M123-E125 HydrophobicContact CE-CB 4.1Å; M123-E125 HydrophobicContact CE-CG 4.36Å; M123-E125 WeakPolarHBondContact CE-OE2 3.34Å; M123-E125 HydrophobicContact CG-CB 4.41Å; M123-E125 PolarHBondContact O-N 2.82Å; M123-D126 HydrophobicContact CG-CB 4.09Å; M123-D126 WeakPolarHBondContact O-CB 3.32Å; M123-D126 PolarHBondContact O-N 2.96Å; M123-N129 WeakPolarHBondContact O-CB 3.23Å; M123-N129 PolarHBondContact O-ND2 3.12Å
124	W	88.7	Confident	95.9	Very high	92 Å²	92	40.2 Å²	40.2	35%	0.348	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.1	-175.6	50.7	-85.3	0	0	0	112.4	D126 K130 H217 I221	W124-D126 VanDerWaalsContact C-N 3.28Å; W124-K130 VanDerWaalsContact O-CA 3.25Å; W124-K130 WeakPolarHBondContact O-CA 3.32Å; W124-K130 PolarHBondContact O-N 2.9Å; W124-H217 HydrophobicContact CB-CB 3.91Å; W124-I221 HydrophobicContact CD2-CD1 3.6Å; W124-I221 HydrophobicContact CD2-CG1 3.45Å; W124-I221 VanDerWaalsContact CD2-CG1 3.45Å; W124-I221 HydrophobicContact CE3-CD1 2.98Å; W124-I221 HydrophobicContact CE3-CG1 3.35Å; W124-I221 HydrophobicContact CG-CD1 4.39Å; W124-I221 HydrophobicContact CG-CG1 4.17Å; W124-I221 HydrophobicContact CH2-CB 4.27Å; W124-I221 HydrophobicContact CH2-CD1 3.83Å; W124-I221 HydrophobicContact CH2-CG1 3.6Å; W124-I221 HydrophobicContact CH2-CG2 3.64Å; W124-I221 HydrophobicContact CZ2-CD1 4.38Å; W124-I221 HydrophobicContact CZ2-CG1 3.75Å; W124-I221 HydrophobicContact CZ2-CG2 4.14Å; W124-I221 HydrophobicContact CZ3-CB 4.38Å; W124-I221 HydrophobicContact CZ3-CD1 3.11Å; W124-I221 HydrophobicContact CZ3-CG1 3.42Å; W124-I221 VanDerWaalsContact CZ3-CG1 3.42Å; W124-I221 HydrophobicContact CZ3-CG2 4.03Å
125	E	89.7	Confident	95.9	Very high	65 Å²	65	40.6 Å²	40.6	30%	0.304	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	175.7	-57.4	87.9	156.3	0	0	113.2	S75 M123	S75-E125 WeakPolarHBondContact CB-OE1 3.03Å; S75-E125 PolarHBondContact OG-OE1 2.79Å; M123-E125 WeakPolarHBondContact CB-OE2 3.33Å; M123-E125 HydrophobicContact CE-CB 4.1Å; M123-E125 HydrophobicContact CE-CG 4.36Å; M123-E125 WeakPolarHBondContact CE-OE2 3.34Å; M123-E125 HydrophobicContact CG-CB 4.41Å; M123-E125 PolarHBondContact O-N 2.82Å
126	D	93.2	Very high	95.8	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.134	22%	0.215	C	C	.	.	S	Bend	trans	-62.5	140.3	176.3	-169.2	-77.5	0	0	0	110.6	K121 M123 W124 A128 N129 K130	K121-D126 HydrophobicContact CB-CB 4.32Å; K121-D126 WeakPolarHBondContact CB-OD2 3.35Å; K121-D126 PolarHBondContact N-OD2 3.21Å; M123-D126 HydrophobicContact CG-CB 4.09Å; M123-D126 WeakPolarHBondContact O-CB 3.32Å; M123-D126 PolarHBondContact O-N 2.96Å; W124-D126 VanDerWaalsContact C-N 3.28Å; D126-A128 PolarHBondContact O-N 3.33Å; D126-A128 VanDerWaalsContact O-N 3.14Å; D126-A128 WeakPolarHBondContact OD1-CB 3.45Å; D126-A128 PolarHBondContact OD1-N 3.18Å; D126-N129 HydrophobicContact CB-CB 4.33Å; D126-N129 PolarHBondContact O-N 3.39Å; D126-K130 PolarHBondContact O-N 3.14Å
127	D	95.8	Very high	95.7	Very high	121 Å²	121	40.8 Å²	40.8	65%	0.647	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.6	-176.7	-84	-34.7	0	0	0	113.3	N129 K130	D127-N129 VanDerWaalsContact C-N 3.32Å; D127-K130 IonicContact OD1-NZ 3.5Å; D127-K130 PolarHBondContact OD1-NZ 3.44Å
128	A	97.1	Very high	95.6	Very high	23 Å²	23	44.9 Å²	44.9	19%	0.19	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-18.2	176.5	0	0	0	0	0	113.2	I120 D126 K185	I120-A128 HydrophobicContact CD1-CB 3.71Å; I120-A128 HydrophobicContact CG1-CB 3.86Å; I120-A128 HydrophobicContact CG2-CB 4.06Å; D126-A128 PolarHBondContact O-N 3.33Å; D126-A128 VanDerWaalsContact O-N 3.14Å; D126-A128 WeakPolarHBondContact OD1-CB 3.45Å; D126-A128 PolarHBondContact OD1-N 3.18Å; A128-K185 WeakPolarHBondContact O-CA 3.31Å
129	N	96.6	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-22.1	-175.1	-62.8	-33.6	0	0	0	113.4	K121 M123 D126 D127 N131 G132 C167 W183 H217	K121-N129 PolarHBondContact O-ND2 3.15Å; M123-N129 WeakPolarHBondContact O-CB 3.23Å; M123-N129 PolarHBondContact O-ND2 3.12Å; D126-N129 HydrophobicContact CB-CB 4.33Å; D126-N129 PolarHBondContact O-N 3.39Å; D127-N129 VanDerWaalsContact C-N 3.32Å; N129-N131 PolarHBondContact O-N 2.97Å; N129-G132 WeakPolarHBondContact O-CA 3.21Å; N129-G132 PolarHBondContact O-N 3.43Å; N129-C167 VanDerWaalsContact OD1-CB 3.3Å; N129-C167 WeakPolarHBondContact OD1-CB 3.09Å; N129-C167 PolarHBondContact OD1-SG 2.8Å; N129-W183 HydrophobicContact CB-CE3 4.42Å; N129-W183 HydrophobicContact CB-CZ3 4.47Å; N129-H217 PolarHBondContact O-CD2 2.74Å
130	K	94.3	Very high	95.3	Very high	98 Å²	98	45.1 Å²	45.1	43%	0.426	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.3	-171.8	67.1	-172.7	173.3	-168.2	0	115.7	W124 D126 D127	W124-K130 VanDerWaalsContact O-CA 3.25Å; W124-K130 WeakPolarHBondContact O-CA 3.32Å; W124-K130 PolarHBondContact O-N 2.9Å; D126-K130 PolarHBondContact O-N 3.14Å; D127-K130 IonicContact OD1-NZ 3.5Å; D127-K130 PolarHBondContact OD1-NZ 3.44Å
131	N	96	Very high	95.2	Very high	112 Å²	112	48.3 Å²	48.3	60%	0.599	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	5.5	177.8	-62	-37.8	0	0	0	113	N129 K185 A187	N129-N131 PolarHBondContact O-N 2.97Å; N131-K185 CarbonylContact C-O 3.22Å; N131-K185 VanDerWaalsContact C-O 3.22Å; N131-A187 WeakPolarHBondContact O-CB 3.38Å; N131-A187 PolarHBondContact O-N 3.09Å
132	G	97.3	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.			trans	-94.2	-170.3	-170	0	0	0	0	0	114	N129 N184 K185 H217	N129-G132 WeakPolarHBondContact O-CA 3.21Å; N129-G132 PolarHBondContact O-N 3.43Å; G132-N184 WeakPolarHBondContact CA-O 3.16Å; G132-K185 WeakPolarHBondContact CA-O 3.32Å; G132-K185 PolarHBondContact N-O 2.85Å; G132-K185 VanDerWaalsContact N-O 3.12Å; G132-H217 PolarHBondContact O-CD2 3.44Å; G132-H217 PolarHBondContact O-N 3.28Å
133	G	97.5	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-176	173.8	0	0	0	0	0	110.7	W183 N184 Y214 K215 H217	G133-W183 WeakPolarHBondContact O-CA 3.43Å; G133-N184 PolarHBondContact N-O 3.14Å; G133-N184 VanDerWaalsContact N-O 3.15Å; G133-N184 PolarHBondContact O-N 2.82Å; G133-N184 PolarHBondContact O-OD1 2.93Å; G133-Y214 VanDerWaalsContact CA-OH 3.26Å; G133-Y214 WeakPolarHBondContact CA-OH 3.49Å; G133-Y214 PolarHBondContact N-OH 3.37Å; G133-K215 CarbonylContact C-O 3.56Å; G133-K215 WeakPolarHBondContact CA-O 3.34Å; G133-H217 PolarHBondContact N-CD2 3.38Å
134	K	98.1	Very high	95.2	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.022	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.8	-177.8	60.8	-176.1	179.7	-174.4	0	112	I136 I182 W183 Y214 K215 S226	K134-I136 HydrophobicContact CD-CD1 4.33Å; K134-I136 HydrophobicContact CD-CG1 4.2Å; K134-I136 HydrophobicContact CG-CD1 4.15Å; K134-I136 HydrophobicContact CG-CG1 3.89Å; K134-I182 CarbonylContact C-O 3.55Å; K134-I182 WeakPolarHBondContact CA-O 3.41Å; K134-I182 WeakPolarHBondContact CB-O 3.25Å; K134-W183 HydrophobicContact CB-CD2 4.43Å; K134-W183 HydrophobicContact CB-CG 3.93Å; K134-W183 HydrophobicContact CD-CZ2 4.01Å; K134-Y214 WeakPolarHBondContact O-CA 3.17Å; K134-Y214 WeakPolarHBondContact O-CD2 3.33Å; K134-K215 PolarHBondContact N-O 3.21Å; K134-K215 PolarHBondContact O-N 3.26Å; K134-S226 WeakPolarHBondContact CE-O 3.37Å; K134-S226 PolarHBondContact NZ-O 2.85Å
135	W	98.2	Very high	95.7	Very high	9 Å²	9	46.5 Å²	46.5	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.7	160.8	-82	103.5	0	0	0	109.2	S181 I182 T193 I196 R197 L200 M212 E213 Y214 T233	W135-S181 WeakPolarHBondContact O-CA 3.29Å; W135-S181 WeakPolarHBondContact O-CB 3.31Å; W135-I182 HydrophobicContact CB-CG2 4.01Å; W135-I182 PolarHBondContact N-O 2.86Å; W135-I182 PolarHBondContact O-N 3.29Å; W135-I182 VanDerWaalsContact O-N 3.15Å; W135-T193 PolarHBondContact NE1-O 3.28Å; W135-I196 HydrophobicContact CG-CG2 4.39Å; W135-R197 HydrophobicContact CD2-CB 4.29Å; W135-R197 HydrophobicContact CH2-CB 4.08Å; W135-R197 HydrophobicContact CH2-CG 3.85Å; W135-R197 HydrophobicContact CZ2-CB 3.57Å; W135-R197 HydrophobicContact CZ2-CG 3.89Å; W135-R197 HydrophobicContact CZ3-CG 4.18Å; W135-L200 HydrophobicContact CB-CD1 3.55Å; W135-L200 HydrophobicContact CG-CD1 3.93Å; W135-M212 HydrophobicContact CD2-CE 4.35Å; W135-M212 HydrophobicContact CE3-CB 3.86Å; W135-M212 HydrophobicContact CE3-CE 4.06Å; W135-M212 HydrophobicContact CZ3-CB 3.81Å; W135-E213 CarbonylContact C-O 3.53Å; W135-E213 WeakPolarHBondContact CA-O 3.45Å; W135-Y214 AromaticContact CD1-CD2 3.6Å; W135-Y214 AromaticContact CD1-CE2 3.9Å; W135-Y214 AromaticContact CD2-CD2 3.76Å; W135-Y214 HydrophobicContact CD2-CD2 3.76Å; W135-Y214 HydrophobicContact CD2-CG 4.45Å; W135-Y214 AromaticContact CE2-CD2 3.59Å; W135-Y214 HydrophobicContact CE3-CD2 4.5Å; W135-Y214 AromaticContact CG-CD2 3.76Å; W135-Y214 HydrophobicContact CG-CD2 3.76Å; W135-Y214 HydrophobicContact CG-CE2 4.41Å; W135-Y214 HydrophobicContact CZ2-CD2 4.19Å; W135-Y214 HydrophobicContact CZ2-CG 4.41Å; W135-Y214 AromaticContact NE1-CD2 3.52Å; W135-Y214 AromaticContact NE1-CE2 3.98Å; W135-T233 HydrophobicContact CH2-CG2 4.12Å
136	I	97.5	Very high	96	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132	-175	-55.4	170.6	0	0	0	107.8	K134 I179 E213 K215 F227 T230	K134-I136 HydrophobicContact CD-CD1 4.33Å; K134-I136 HydrophobicContact CD-CG1 4.2Å; K134-I136 HydrophobicContact CG-CD1 4.15Å; K134-I136 HydrophobicContact CG-CG1 3.89Å; I136-I179 HydrophobicContact CG2-CG2 3.46Å; I136-I179 VanDerWaalsContact CG2-CG2 3.46Å; I136-E213 HydrophobicContact CB-CB 4.31Å; I136-E213 PolarHBondContact N-O 2.86Å; I136-E213 PolarHBondContact O-N 2.85Å; I136-K215 HydrophobicContact CD1-CB 3.84Å; I136-F227 HydrophobicContact CD1-CD1 4.15Å; I136-F227 HydrophobicContact CG2-CD1 3.93Å; I136-T230 HydrophobicContact CD1-CG2 3.95Å
137	I	96.3	Very high	96.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.1	172.9	-51.9	165.9	0	0	0	107.4	L139 I179 I180 L200 L204 L206 T210 M212	I137-L139 HydrophobicContact CG2-CD2 3.74Å; I137-L139 HydrophobicContact CG2-CG 4.34Å; I137-I179 WeakPolarHBondContact O-CA 3.43Å; I137-I180 HydrophobicContact CB-CD1 4.22Å; I137-I180 HydrophobicContact CB-CG1 3.75Å; I137-I180 HydrophobicContact CD1-CD1 3.94Å; I137-I180 HydrophobicContact CD1-CG1 4.22Å; I137-I180 HydrophobicContact CG1-CG1 4.4Å; I137-I180 PolarHBondContact N-O 2.78Å; I137-I180 PolarHBondContact O-N 2.68Å; I137-L200 HydrophobicContact CD1-CD1 4.49Å; I137-L204 HydrophobicContact CD1-CD1 3.51Å; I137-L206 HydrophobicContact CD1-CD1 3.73Å; I137-T210 HydrophobicContact CG2-CG2 3.93Å; I137-M212 HydrophobicContact CD1-CE 4.18Å; I137-M212 HydrophobicContact CG1-CE 4.35Å; I137-M212 HydrophobicContact CG1-CG 4.1Å
138	R	95.3	Very high	96.3	Very high	98 Å²	98	46 Å²	46	37%	0.37	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.3	173.2	-62.3	178.1	178	-142.7	12.5	108.9	E177 I179 F227	R138-E177 IonicContact CZ-OE1 3.13Å; R138-E177 IonicContact NE-OE1 2.95Å; R138-E177 IonicContact NH1-OE1 2.88Å; R138-E177 PolarHBondContact NH1-OE1 2.86Å; R138-E177 VanDerWaalsContact NH1-OE1 3.11Å; R138-E177 IonicContact NH1-OE2 2.8Å; R138-I179 HydrophobicContact CG-CG1 4.38Å; R138-F227 PolarHBondContact NH2-O 3.44Å
139	L	94.4	Very high	96.4	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.058	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.5	-174.4	-59.1	175.7	0	0	0	108.8	I137 L143 C147 E177 D178 I180	I137-L139 HydrophobicContact CG2-CD2 3.74Å; I137-L139 HydrophobicContact CG2-CG 4.34Å; L139-L143 HydrophobicContact CB-CB 4.36Å; L139-L143 HydrophobicContact CD1-CB 4.42Å; L139-C147 HydrophobicContact CD1-CB 3.82Å; L139-E177 WeakPolarHBondContact O-CA 3.43Å; L139-D178 HydrophobicContact CB-CB 4.49Å; L139-D178 PolarHBondContact N-O 2.79Å; L139-D178 PolarHBondContact O-N 3.42Å; L139-I180 HydrophobicContact CD1-CD1 4Å; L139-I180 HydrophobicContact CD1-CG1 4.05Å; L139-I180 HydrophobicContact CD1-CG2 3.98Å
140	R	93.7	Very high	96.5	Very high	157 Å²	157	49 Å²	49	59%	0.592	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	154.1	161.7	66.2	179.1	-177.1	134.7	-0.5	110.3	L143	R140-L143 HydrophobicContact CG-CD1 3.63Å; R140-L143 HydrophobicContact CG-CG 4.05Å
141	K	95	Very high	96.7	Very high	86 Å²	86	44.4 Å²	44.4	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	146.4	176.7	-69.8	-58.6	-167.5	171.1	0	113	R174 F175 D178	K141-R174 WeakPolarHBondContact CE-O 3.36Å; K141-R174 PolarHBondContact NZ-O 3.34Å; K141-F175 WeakPolarHBondContact CE-O 3.41Å; K141-D178 WeakPolarHBondContact CD-OD2 3.38Å; K141-D178 IonicContact NZ-OD1 2.69Å; K141-D178 PolarHBondContact NZ-OD1 2.73Å; K141-D178 IonicContact NZ-OD2 3.75Å
142	G	94.2	Very high	96.8	Very high	70 Å²	70	39 Å²	39	72%	0.722	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-7.4	178.9	0	0	0	0	0	115.1
143	L	94.9	Very high	96.9	Very high	65 Å²	65	42.1 Å²	42.1	34%	0.34	21%	0.205	S	C	.	.	S	Bend	trans	-96.3	-27.7	177.4	-59.7	-177.8	0	0	0	113.5	L139 R140 S145 R146 C147	L139-L143 HydrophobicContact CB-CB 4.36Å; L139-L143 HydrophobicContact CD1-CB 4.42Å; R140-L143 HydrophobicContact CG-CD1 3.63Å; R140-L143 HydrophobicContact CG-CG 4.05Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.44Å; L143-R146 PolarHBondContact O-N 2.96Å; L143-C147 PolarHBondContact O-N 2.93Å; L143-C147 VanDerWaalsContact O-N 3.09Å; L143-C147 PolarHBondContact O-SG 3.13Å
144	A	96.4	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-42.1	-168.1	0	0	0	0	0	114.1	R146 C147 W148 V171 D178	A144-R146 PolarHBondContact O-N 2.88Å; A144-C147 PolarHBondContact O-N 2.76Å; A144-W148 WeakPolarHBondContact O-CB 3.34Å; A144-W148 PolarHBondContact O-N 3.39Å; A144-V171 HydrophobicContact CB-CG2 4.28Å; A144-D178 HydrophobicContact CB-CB 3.58Å; A144-D178 VanDerWaalsContact CB-OD2 3.32Å; A144-D178 WeakPolarHBondContact CB-OD2 3.37Å
145	S	97.4	Very high	96.9	Very high	28 Å²	28	42.3 Å²	42.3	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-44.9	-177.1	-59.8	0	0	0	0	112.8	G105 L143 E149	G105-S145 WeakPolarHBondContact CA-OG 3.2Å; G105-S145 PolarHBondContact N-OG 3.27Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.44Å; S145-E149 PolarHBondContact O-N 3.03Å; S145-E149 VanDerWaalsContact O-N 3.12Å
146	R	96.8	Very high	97	Very high	185 Å²	185	42.3 Å²	42.3	70%	0.698	21%	0.208	S	C	*	.	H	α-helix	trans	-76.1	-40.5	-179.3	-170.8	173.5	-176.8	-179.4	-0	111.7	L143 A144 W148 E149 N150	L143-R146 PolarHBondContact O-N 2.96Å; A144-R146 PolarHBondContact O-N 2.88Å; R146-W148 VanDerWaalsContact C-N 3.32Å; R146-W148 PolarHBondContact O-N 2.76Å; R146-E149 PolarHBondContact O-N 3.15Å; R146-N150 PolarHBondContact O-N 2.83Å
147	C	97.2	Very high	97	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.101	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-39.1	175.7	-64.9	0	0	0	0	111.5	L139 L143 A144 L151 I180 L204	L139-C147 HydrophobicContact CD1-CB 3.82Å; L143-C147 PolarHBondContact O-N 2.93Å; L143-C147 VanDerWaalsContact O-N 3.09Å; L143-C147 PolarHBondContact O-SG 3.13Å; A144-C147 PolarHBondContact O-N 2.76Å; C147-L151 VanDerWaalsContact O-CB 3.25Å; C147-L151 WeakPolarHBondContact O-CB 3.42Å; C147-L151 PolarHBondContact O-N 2.81Å; C147-I180 HydrophobicContact CB-CD1 3.92Å; C147-L204 HydrophobicContact CB-CD2 4.34Å; C147-L204 WeakPolarHBondContact O-CD2 3.47Å
148	W	98.4	Very high	97.1	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-47.9	174.3	174.7	-121.3	0	0	0	111.9	F62 Y98 P104 F113 L115 A144 R146 L151 I152 A169 V171	F62-W148 HydrophobicContact CE1-CZ2 4.1Å; Y98-W148 AromaticContact CE2-NE1 3.83Å; P104-W148 HydrophobicContact CG-CB 4.04Å; P104-W148 VanDerWaalsContact CG-CD1 3.49Å; P104-W148 HydrophobicContact CG-CG 3.87Å; F113-W148 HydrophobicContact CB-CZ2 4.14Å; L115-W148 HydrophobicContact CB-CH2 3.86Å; L115-W148 HydrophobicContact CB-CZ2 4.1Å; A144-W148 WeakPolarHBondContact O-CB 3.34Å; A144-W148 PolarHBondContact O-N 3.39Å; R146-W148 VanDerWaalsContact C-N 3.32Å; R146-W148 PolarHBondContact O-N 2.76Å; W148-L151 HydrophobicContact CE3-CD2 4.34Å; W148-L151 HydrophobicContact CZ3-CD2 4.43Å; W148-L151 PolarHBondContact O-N 2.77Å; W148-I152 HydrophobicContact CD2-CG2 3.75Å; W148-I152 HydrophobicContact CE3-CG2 3.69Å; W148-I152 HydrophobicContact CH2-CG2 3.45Å; W148-I152 VanDerWaalsContact CH2-CG2 3.45Å; W148-I152 HydrophobicContact CZ2-CG2 3.5Å; W148-I152 HydrophobicContact CZ3-CG2 3.54Å; W148-I152 WeakPolarHBondContact O-CG1 3.4Å; W148-I152 PolarHBondContact O-N 2.83Å; W148-A169 HydrophobicContact CH2-CB 4.12Å; W148-A169 HydrophobicContact CZ3-CB 3.67Å; W148-V171 HydrophobicContact CB-CB 4.39Å; W148-V171 HydrophobicContact CB-CG1 4.38Å; W148-V171 HydrophobicContact CD2-CB 3.91Å; W148-V171 HydrophobicContact CD2-CG1 3.45Å; W148-V171 VanDerWaalsContact CD2-CG1 3.45Å; W148-V171 HydrophobicContact CE3-CB 3.68Å; W148-V171 HydrophobicContact CE3-CG1 3.67Å; W148-V171 HydrophobicContact CG-CB 4.23Å; W148-V171 HydrophobicContact CG-CG1 3.78Å; W148-V171 HydrophobicContact CH2-CG1 4.34Å; W148-V171 HydrophobicContact CZ2-CG1 4.16Å; W148-V171 HydrophobicContact CZ3-CB 4.21Å; W148-V171 HydrophobicContact CZ3-CG1 4.11Å
149	E	98.5	Very high	97.2	Very high	45 Å²	45	45.7 Å²	45.7	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-50.2	177	-168.8	173.4	77.5	0	0	111.5	Y98 R103 S145 R146 L151 I152 L153	Y98-E149 HydrophobicContact CE1-CG 4.01Å; Y98-E149 WeakPolarHBondContact CE1-OE2 3.29Å; Y98-E149 WeakPolarHBondContact OH-CB 3.26Å; R103-E149 IonicContact CZ-OE2 2.72Å; R103-E149 VanDerWaalsContact CZ-OE2 3.29Å; R103-E149 IonicContact NH1-OE2 3.53Å; R103-E149 PolarHBondContact NH1-OE2 3Å; R103-E149 IonicContact NH2-OE2 3.77Å; R103-E149 PolarHBondContact NH2-OE2 2.82Å; S145-E149 PolarHBondContact O-N 3.03Å; S145-E149 VanDerWaalsContact O-N 3.12Å; R146-E149 PolarHBondContact O-N 3.15Å; E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-I152 WeakPolarHBondContact O-CG1 3.45Å; E149-I152 PolarHBondContact O-N 3.2Å; E149-L153 HydrophobicContact CG-CD1 3.94Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.25Å; E149-L153 WeakPolarHBondContact O-CG 3.38Å; E149-L153 PolarHBondContact O-N 3.34Å
150	N	98.3	Very high	97.4	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.214	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-40.9	177.6	-73.8	2	0	0	0	112.3	R146 A154 V203 L204	R146-N150 PolarHBondContact O-N 2.83Å; N150-A154 WeakPolarHBondContact O-CB 3.23Å; N150-A154 PolarHBondContact O-N 3.21Å; N150-V203 PolarHBondContact ND2-O 2.75Å; N150-L204 HydrophobicContact CB-CD2 3.82Å
151	L	98.5	Very high	97.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-52.3	179.5	178.7	56	0	0	0	111.6	C147 W148 E149 A154 M155 F160 A169 I180 I182 L200 L204	C147-L151 VanDerWaalsContact O-CB 3.25Å; C147-L151 WeakPolarHBondContact O-CB 3.42Å; C147-L151 PolarHBondContact O-N 2.81Å; W148-L151 HydrophobicContact CE3-CD2 4.34Å; W148-L151 HydrophobicContact CZ3-CD2 4.43Å; W148-L151 PolarHBondContact O-N 2.77Å; E149-L151 VanDerWaalsContact C-N 3.31Å; E149-L151 PolarHBondContact O-N 3.13Å; L151-A154 PolarHBondContact O-N 2.93Å; L151-M155 WeakPolarHBondContact O-CB 3.47Å; L151-M155 PolarHBondContact O-N 3.05Å; L151-F160 HydrophobicContact CD1-CZ 3.93Å; L151-A169 HydrophobicContact CD2-CB 3.88Å; L151-A169 HydrophobicContact CG-CB 4.12Å; L151-I180 HydrophobicContact CD2-CB 4.37Å; L151-I182 HydrophobicContact CD1-CB 4.35Å; L151-I182 HydrophobicContact CD1-CD1 4.2Å; L151-L200 HydrophobicContact CD1-CD2 3.51Å; L151-L204 HydrophobicContact CB-CD2 4.07Å
152	I	98.7	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.5	-35.5	-176.2	66.4	-173.9	0	0	0	111.6	F94 Y98 L115 W148 E149 A154 M155 L156	F94-I152 HydrophobicContact CE2-CD1 3.88Å; F94-I152 HydrophobicContact CE2-CG1 4.41Å; F94-I152 HydrophobicContact CZ-CD1 3.81Å; F94-I152 HydrophobicContact CZ-CG1 4.18Å; Y98-I152 HydrophobicContact CD2-CD1 3.92Å; Y98-I152 HydrophobicContact CE2-CD1 3.47Å; Y98-I152 VanDerWaalsContact CE2-CD1 3.47Å; L115-I152 HydrophobicContact CD2-CB 3.78Å; L115-I152 HydrophobicContact CD2-CG2 3.74Å; W148-I152 HydrophobicContact CD2-CG2 3.75Å; W148-I152 HydrophobicContact CE3-CG2 3.69Å; W148-I152 HydrophobicContact CH2-CG2 3.45Å; W148-I152 VanDerWaalsContact CH2-CG2 3.45Å; W148-I152 HydrophobicContact CZ2-CG2 3.5Å; W148-I152 HydrophobicContact CZ3-CG2 3.54Å; W148-I152 WeakPolarHBondContact O-CG1 3.4Å; W148-I152 PolarHBondContact O-N 2.83Å; E149-I152 WeakPolarHBondContact O-CG1 3.45Å; E149-I152 PolarHBondContact O-N 3.2Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.92Å; I152-M155 HydrophobicContact CG2-CE 4.45Å; I152-M155 PolarHBondContact O-N 2.76Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 WeakPolarHBondContact O-CG 3.36Å; I152-L156 PolarHBondContact O-N 2.92Å
153	L	98.7	Very high	97.8	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.335	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-41.3	174.6	-69.4	178.6	0	0	0	111.4	F94 W95 E149 M155 G157	F94-L153 HydrophobicContact CE1-CD2 3.74Å; F94-L153 HydrophobicContact CZ-CD2 4.15Å; W95-L153 HydrophobicContact CZ2-CD2 3.94Å; E149-L153 HydrophobicContact CG-CD1 3.94Å; E149-L153 HydrophobicContact CG-CG 4.4Å; E149-L153 WeakPolarHBondContact O-CB 3.25Å; E149-L153 WeakPolarHBondContact O-CG 3.38Å; E149-L153 PolarHBondContact O-N 3.34Å; L153-M155 VanDerWaalsContact C-N 3.34Å; L153-G157 PolarHBondContact O-N 3.35Å
154	A	98.6	Very high	97.9	Very high	7 Å²	7	41.8 Å²	41.8	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-39.5	173.5	0	0	0	0	0	112.2	N150 L151 I152 E158 Q159 F160 V203	N150-A154 WeakPolarHBondContact O-CB 3.23Å; N150-A154 PolarHBondContact O-N 3.21Å; L151-A154 PolarHBondContact O-N 2.93Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.92Å; A154-E158 PolarHBondContact O-N 2.98Å; A154-Q159 HydrophobicContact CB-CB 4.06Å; A154-Q159 HydrophobicContact CB-CG 4.45Å; A154-Q159 VanDerWaalsContact O-CB 3.3Å; A154-Q159 WeakPolarHBondContact O-CB 3.4Å; A154-Q159 PolarHBondContact O-N 2.91Å; A154-F160 HydrophobicContact CB-CE2 4.06Å; A154-V203 HydrophobicContact CB-CB 3.96Å; A154-V203 HydrophobicContact CB-CG1 3.82Å; A154-V203 HydrophobicContact CB-CG2 3.9Å
155	M	98.7	Very high	98	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-52.3	177.9	-179.8	174.6	69.7	0	0	111.9	Y60 L115 L151 I152 L153 G157 E158 F160 I166 A169	Y60-M155 HydrophobicContact CD1-CE 4.14Å; Y60-M155 HydrophobicContact CE1-CE 3.93Å; Y60-M155 HydrophobicContact CE1-CG 4.09Å; Y60-M155 HydrophobicContact CE1-SD 4.09Å; L115-M155 HydrophobicContact CB-CE 4.04Å; L115-M155 HydrophobicContact CD2-CE 3.55Å; L115-M155 HydrophobicContact CG-CE 3.62Å; L115-M155 WeakPolarHBondContact O-CE 3.44Å; L151-M155 WeakPolarHBondContact O-CB 3.47Å; L151-M155 PolarHBondContact O-N 3.05Å; I152-M155 HydrophobicContact CG2-CE 4.45Å; I152-M155 PolarHBondContact O-N 2.76Å; L153-M155 VanDerWaalsContact C-N 3.34Å; M155-G157 VanDerWaalsContact C-N 3.3Å; M155-G157 PolarHBondContact O-N 3.35Å; M155-E158 PolarHBondContact O-N 3.28Å; M155-E158 VanDerWaalsContact O-N 3.14Å; M155-F160 HydrophobicContact CB-CE2 4.09Å; M155-I166 HydrophobicContact CG-CG2 3.89Å; M155-I166 HydrophobicContact SD-CG2 3.82Å; M155-A169 HydrophobicContact CE-CB 4.01Å; M155-A169 HydrophobicContact SD-CB 3.93Å
156	L	98.6	Very high	98.1	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-32.9	-179.1	-64	179.2	0	0	0	112.3	L56 Y60 F88 F94 L115 I152 E158	L56-L156 HydrophobicContact CD1-CD2 4.29Å; L56-L156 HydrophobicContact CD2-CB 4.11Å; Y60-L156 HydrophobicContact CD1-CD2 3.84Å; Y60-L156 HydrophobicContact CD2-CD2 3.21Å; Y60-L156 HydrophobicContact CE1-CD2 4.04Å; Y60-L156 HydrophobicContact CE2-CD2 3.44Å; Y60-L156 VanDerWaalsContact CE2-CD2 3.44Å; Y60-L156 HydrophobicContact CG-CD2 3.43Å; Y60-L156 VanDerWaalsContact CG-CD2 3.43Å; F88-L156 HydrophobicContact CE2-CD1 3.96Å; F88-L156 HydrophobicContact CE2-CD2 3.86Å; F88-L156 HydrophobicContact CZ-CD1 4.05Å; F88-L156 HydrophobicContact CZ-CD2 4.06Å; F94-L156 HydrophobicContact CB-CD1 4.36Å; F94-L156 HydrophobicContact CD1-CD1 4.15Å; F94-L156 HydrophobicContact CD2-CD1 3.33Å; F94-L156 HydrophobicContact CE1-CD1 4.3Å; F94-L156 HydrophobicContact CE2-CD1 3.5Å; F94-L156 VanDerWaalsContact CE2-CD1 3.5Å; F94-L156 HydrophobicContact CG-CD1 3.66Å; F94-L156 HydrophobicContact CZ-CD1 4Å; L115-L156 HydrophobicContact CD2-CD1 4.27Å; L115-L156 HydrophobicContact CD2-CD2 4.23Å; L115-L156 HydrophobicContact CD2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 WeakPolarHBondContact O-CG 3.36Å; I152-L156 PolarHBondContact O-N 2.92Å; L156-E158 PolarHBondContact O-N 3.42Å
157	G	98.4	Very high	98.2	Very high	40 Å²	40	33.3 Å²	33.3	41%	0.412	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	14	174.7	0	0	0	0	0	114.4	L153 M155 Q159	L153-G157 PolarHBondContact O-N 3.35Å; M155-G157 VanDerWaalsContact C-N 3.3Å; M155-G157 PolarHBondContact O-N 3.35Å; G157-Q159 PolarHBondContact O-N 3.36Å; G157-Q159 VanDerWaalsContact O-N 3.12Å; G157-Q159 PolarHBondContact O-NE2 3Å
158	E	98.3	Very high	98.3	Very high	51 Å²	51	32.6 Å²	32.6	24%	0.238	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	29.4	177.2	-62.8	-65	121.2	0	0	114.5	Q57 Y60 A154 M155 L156 F160 M161	Q57-E158 HydrophobicContact CB-CG 3.61Å; Q57-E158 HydrophobicContact CG-CG 4.11Å; Y60-E158 PolarHBondContact OH-OE1 2.98Å; A154-E158 PolarHBondContact O-N 2.98Å; M155-E158 PolarHBondContact O-N 3.28Å; M155-E158 VanDerWaalsContact O-N 3.14Å; L156-E158 PolarHBondContact O-N 3.42Å; E158-F160 PolarHBondContact O-N 3.37Å; E158-F160 VanDerWaalsContact O-N 3.17Å; E158-M161 WeakPolarHBondContact O-CE 3.16Å
159	Q	98.4	Very high	98.3	Very high	81 Å²	81	32.5 Å²	32.5	38%	0.379	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.3	-172.8	-62.8	-60.9	-64.4	0	0	114.8	A154 G157 R202	A154-Q159 HydrophobicContact CB-CB 4.06Å; A154-Q159 HydrophobicContact CB-CG 4.45Å; A154-Q159 VanDerWaalsContact O-CB 3.3Å; A154-Q159 WeakPolarHBondContact O-CB 3.4Å; A154-Q159 PolarHBondContact O-N 2.91Å; G157-Q159 PolarHBondContact O-N 3.36Å; G157-Q159 VanDerWaalsContact O-N 3.12Å; G157-Q159 PolarHBondContact O-NE2 3Å; Q159-R202 PolarHBondContact O-NH2 3.24Å
160	F	98.2	Very high	98.3	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.022	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-23.9	-179.9	-74.3	-85.2	0	0	0	113.7	L151 A154 M155 E158 V162 I166 I182 R195 I196 T199 L200	L151-F160 HydrophobicContact CD1-CZ 3.93Å; A154-F160 HydrophobicContact CB-CE2 4.06Å; M155-F160 HydrophobicContact CB-CE2 4.09Å; E158-F160 PolarHBondContact O-N 3.37Å; E158-F160 VanDerWaalsContact O-N 3.17Å; F160-V162 VanDerWaalsContact C-N 3.28Å; F160-V162 HydrophobicContact CB-CG2 4.01Å; F160-V162 PolarHBondContact O-N 3.47Å; F160-I166 HydrophobicContact CB-CD1 4.19Å; F160-I166 HydrophobicContact CB-CG1 4.09Å; F160-I166 HydrophobicContact CD1-CD1 4.33Å; F160-I166 HydrophobicContact CD2-CG1 4.44Å; F160-I166 HydrophobicContact CG-CD1 4.1Å; F160-I166 HydrophobicContact CG-CG1 4.25Å; F160-I182 HydrophobicContact CD1-CD1 4.11Å; F160-I182 HydrophobicContact CD2-CD1 4.05Å; F160-I182 HydrophobicContact CE1-CD1 3.55Å; F160-I182 HydrophobicContact CE2-CD1 3.46Å; F160-I182 VanDerWaalsContact CE2-CD1 3.46Å; F160-I182 HydrophobicContact CG-CD1 4.34Å; F160-I182 HydrophobicContact CZ-CD1 3.2Å; F160-R195 WeakPolarHBondContact O-CD 3.22Å; F160-R195 WeakPolarHBondContact O-CG 3.4Å; F160-I196 HydrophobicContact CD1-CB 4.31Å; F160-I196 HydrophobicContact CD1-CG1 4.16Å; F160-I196 HydrophobicContact CD1-CG2 4.06Å; F160-I196 HydrophobicContact CE1-CG2 3.94Å; F160-T199 HydrophobicContact CD1-CG2 3.61Å; F160-T199 HydrophobicContact CE1-CG2 3.68Å; F160-T199 HydrophobicContact CG-CG2 4.05Å; F160-T199 HydrophobicContact CZ-CG2 4.18Å; F160-L200 HydrophobicContact CE1-CD2 4.25Å; F160-L200 HydrophobicContact CE1-CG 4.14Å; F160-L200 HydrophobicContact CZ-CD2 4.2Å
161	M	97.1	Very high	98.3	Very high	112 Å²	112	28.8 Å²	28.8	55%	0.552	17%	0.165	S	C	*	.			trans	53.7	42.2	174.6	-53.5	-60.3	158.5	0	0	113.9	E158 R195	E158-M161 WeakPolarHBondContact O-CE 3.16Å; M161-R195 WeakPolarHBondContact O-CD 3.08Å; M161-R195 PolarHBondContact O-NH1 2.87Å; M161-R195 VanDerWaalsContact O-NH1 3.1Å
162	V	97.8	Very high	98.2	Very high	21 Å²	21	28.8 Å²	28.8	13%	0.127	17%	0.165	C	C	.	.			trans	-120.1	19.7	178.6	-67.3	0	0	0	0	112.4	F160 E164 E165 I166 T192 R195 I196	F160-V162 VanDerWaalsContact C-N 3.28Å; F160-V162 HydrophobicContact CB-CG2 4.01Å; F160-V162 PolarHBondContact O-N 3.47Å; V162-E164 PolarHBondContact O-N 2.82Å; V162-E165 HydrophobicContact CB-CB 4.04Å; V162-E165 HydrophobicContact CG2-CB 3.87Å; V162-E165 WeakPolarHBondContact O-CB 3.38Å; V162-E165 PolarHBondContact O-N 3.25Å; V162-I166 HydrophobicContact CG2-CD1 3.76Å; V162-I166 HydrophobicContact CG2-CG1 3.71Å; V162-T192 HydrophobicContact CB-CG2 4.06Å; V162-T192 HydrophobicContact CG1-CG2 3.95Å; V162-R195 HydrophobicContact CG1-CB 4.03Å; V162-R195 HydrophobicContact CG1-CG 3.95Å; V162-I196 HydrophobicContact CG1-CG1 4.14Å; V162-I196 HydrophobicContact CG2-CG1 4.39Å
163	G	96.7	Very high	98.1	Very high	50 Å²	50	29 Å²	29	52%	0.515	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	58.4	-129	-176.3	0	0	0	0	0	111.8	E165	G163-E165 VanDerWaalsContact C-N 3.26Å; G163-E165 PolarHBondContact O-N 3.31Å
164	E	97.4	Very high	97.9	Very high	119 Å²	119	27.4 Å²	27.4	56%	0.556	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-83.3	2.2	-173.9	-42.3	-157.7	146.4	0	0	114.7	Y58 V162 I166 K185	Y58-E164 WeakPolarHBondContact OH-CG 3.41Å; V162-E164 PolarHBondContact O-N 2.82Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 2.93Å; E164-K185 WeakPolarHBondContact O-CD 3.41Å; E164-K185 WeakPolarHBondContact O-CE 3.11Å; E164-K185 PolarHBondContact O-NZ 2.93Å; E164-K185 IonicContact OE2-NZ 2.94Å
165	E	98.5	Very high	97.6	Very high	27 Å²	27	35 Å²	35	13%	0.126	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28.6	-169.6	-86.8	-71.3	126.7	0	0	114.1	V162 G163 C167 N184 K185 T186 T192	V162-E165 HydrophobicContact CB-CB 4.04Å; V162-E165 HydrophobicContact CG2-CB 3.87Å; V162-E165 WeakPolarHBondContact O-CB 3.38Å; V162-E165 PolarHBondContact O-N 3.25Å; G163-E165 VanDerWaalsContact C-N 3.26Å; G163-E165 PolarHBondContact O-N 3.31Å; E165-C167 PolarHBondContact O-N 2.98Å; E165-N184 CarbonylContact O-C 3.48Å; E165-N184 WeakPolarHBondContact O-CA 3.08Å; E165-N184 WeakPolarHBondContact O-CB 3.03Å; E165-N184 PolarHBondContact OE2-ND2 2.78Å; E165-N184 VanDerWaalsContact OE2-ND2 3.09Å; E165-K185 PolarHBondContact O-N 2.8Å; E165-K185 PolarHBondContact OE2-N 2.94Å; E165-T186 PolarHBondContact OE1-OG1 3.46Å; E165-T186 WeakPolarHBondContact OE2-CB 3.38Å; E165-T186 PolarHBondContact OE2-N 2.8Å; E165-T192 HydrophobicContact CB-CG2 3.68Å; E165-T192 HydrophobicContact CG-CG2 3.68Å
166	I	98.7	Very high	97.3	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.5	178	-56.4	-55	0	0	0	110.3	K117 M155 F160 V162 E164 I182 I196	K117-I166 VanDerWaalsContact CD-O 3.29Å; K117-I166 WeakPolarHBondContact CD-O 3.25Å; K117-I166 WeakPolarHBondContact CE-O 3.41Å; K117-I166 PolarHBondContact NZ-O 2.83Å; M155-I166 HydrophobicContact CG-CG2 3.89Å; M155-I166 HydrophobicContact SD-CG2 3.82Å; F160-I166 HydrophobicContact CB-CD1 4.19Å; F160-I166 HydrophobicContact CB-CG1 4.09Å; F160-I166 HydrophobicContact CD1-CD1 4.33Å; F160-I166 HydrophobicContact CD2-CG1 4.44Å; F160-I166 HydrophobicContact CG-CD1 4.1Å; F160-I166 HydrophobicContact CG-CG1 4.25Å; V162-I166 HydrophobicContact CG2-CD1 3.76Å; V162-I166 HydrophobicContact CG2-CG1 3.71Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 2.93Å; I166-I182 HydrophobicContact CD1-CD1 3.83Å; I166-I182 HydrophobicContact CD1-CG1 4.29Å; I166-I182 HydrophobicContact CG2-CD1 4.13Å; I166-I182 HydrophobicContact CG2-CG1 4.26Å; I166-I196 HydrophobicContact CD1-CD1 3.62Å; I166-I196 HydrophobicContact CD1-CG1 3.91Å
167	C	98.7	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-47.6	172.6	-62.8	0	0	0	0	111.5	F116 K117 I120 N129 E165 W183 K185	F116-C167 WeakPolarHBondContact CA-O 3.5Å; F116-C167 HydrophobicContact CD1-CB 4.24Å; F116-C167 HydrophobicContact CE1-CB 4.2Å; K117-C167 PolarHBondContact N-O 3.13Å; I120-C167 HydrophobicContact CD1-CB 4.18Å; I120-C167 HydrophobicContact CG2-CB 4.39Å; N129-C167 VanDerWaalsContact OD1-CB 3.3Å; N129-C167 WeakPolarHBondContact OD1-CB 3.09Å; N129-C167 PolarHBondContact OD1-SG 2.8Å; E165-C167 PolarHBondContact O-N 2.98Å; C167-W183 HydrophobicContact CB-CB 4.17Å; C167-W183 PolarHBondContact N-O 3.5Å; C167-K185 WeakPolarHBondContact SG-CG 3.4Å
168	G	98.7	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-178.9	-175.3	0	0	0	0	0	113.7	L115 W183	L115-G168 CarbonylContact O-C 3.59Å; L115-G168 WeakPolarHBondContact O-CA 3.34Å; G168-W183 PolarHBondContact O-N 3.06Å
169	A	98.8	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.5	179.6	0	0	0	0	0	111.2	H114 L115 W148 L151 M155 S181	H114-A169 CarbonylContact C-O 3.58Å; H114-A169 WeakPolarHBondContact CA-O 3.45Å; L115-A169 PolarHBondContact N-O 3.2Å; L115-A169 PolarHBondContact O-N 3.07Å; W148-A169 HydrophobicContact CH2-CB 4.12Å; W148-A169 HydrophobicContact CZ3-CB 3.67Å; L151-A169 HydrophobicContact CD2-CB 3.88Å; L151-A169 HydrophobicContact CG-CB 4.12Å; M155-A169 HydrophobicContact CE-CB 4.01Å; M155-A169 HydrophobicContact SD-CB 3.93Å; A169-S181 CarbonylContact C-O 3.57Å; A169-S181 VanDerWaalsContact CA-O 3.25Å; A169-S181 WeakPolarHBondContact CA-O 3.41Å
170	V	98.5	Very high	96.9	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.5	178.8	-175.7	0	0	0	0	109.5	F113 H114 F116 I180 S181 W183	F113-V170 WeakPolarHBondContact O-CA 3.33Å; H114-V170 HydrophobicContact CB-CG2 4.44Å; H114-V170 WeakPolarHBondContact ND1-CG2 3.41Å; F116-V170 HydrophobicContact CE2-CG2 3.63Å; F116-V170 HydrophobicContact CZ-CG2 3.94Å; V170-I180 CarbonylContact O-C 3.58Å; V170-I180 WeakPolarHBondContact O-CA 3.3Å; V170-S181 PolarHBondContact N-O 3.17Å; V170-S181 PolarHBondContact O-N 2.71Å; V170-W183 HydrophobicContact CG2-CZ2 4.44Å
171	V	98.1	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	162.1	57.1	0	0	0	0	109.1	P104 D112 F113 A144 W148 I179 I180	P104-V171 HydrophobicContact CB-CG1 4.08Å; P104-V171 HydrophobicContact CB-CG2 3.85Å; P104-V171 HydrophobicContact CG-CG1 3.79Å; P104-V171 HydrophobicContact CG-CG2 4.22Å; D112-V171 CarbonylContact C-O 3.44Å; D112-V171 WeakPolarHBondContact CA-O 3.25Å; F113-V171 HydrophobicContact CB-CG1 3.77Å; F113-V171 HydrophobicContact CD2-CG1 4.3Å; F113-V171 PolarHBondContact N-O 2.89Å; F113-V171 PolarHBondContact O-N 3.41Å; A144-V171 HydrophobicContact CB-CG2 4.28Å; W148-V171 HydrophobicContact CB-CB 4.39Å; W148-V171 HydrophobicContact CB-CG1 4.38Å; W148-V171 HydrophobicContact CD2-CB 3.91Å; W148-V171 HydrophobicContact CD2-CG1 3.45Å; W148-V171 VanDerWaalsContact CD2-CG1 3.45Å; W148-V171 HydrophobicContact CE3-CB 3.68Å; W148-V171 HydrophobicContact CE3-CG1 3.67Å; W148-V171 HydrophobicContact CG-CB 4.23Å; W148-V171 HydrophobicContact CG-CG1 3.78Å; W148-V171 HydrophobicContact CH2-CG1 4.34Å; W148-V171 HydrophobicContact CZ2-CG1 4.16Å; W148-V171 HydrophobicContact CZ3-CB 4.21Å; W148-V171 HydrophobicContact CZ3-CG1 4.11Å; V171-I179 CarbonylContact C-O 3.52Å; V171-I179 WeakPolarHBondContact CA-O 3.34Å; V171-I180 HydrophobicContact CB-CG2 4.11Å; V171-I180 HydrophobicContact CG2-CG2 3.88Å
172	S	97.1	Very high	97	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.7	-173.5	-76.2	0	0	0	0	109.5	D112 R174 D178 I179	D112-S172 WeakPolarHBondContact OD1-CA 3.45Å; D112-S172 WeakPolarHBondContact OD1-CB 3.25Å; D112-S172 PolarHBondContact OD1-OG 2.88Å; S172-R174 PolarHBondContact OG-NH2 2.63Å; S172-D178 WeakPolarHBondContact O-CA 3.29Å; S172-I179 PolarHBondContact N-O 2.62Å; S172-I179 PolarHBondContact O-N 2.97Å
173	V	96.4	Very high	97	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.3	176.5	-175.2	0	0	0	0	108.5	P104 L107 H110 S111 D178	P104-V173 HydrophobicContact CB-CG2 4.24Å; P104-V173 VanDerWaalsContact O-CG2 3.23Å; P104-V173 WeakPolarHBondContact O-CG2 3.39Å; L107-V173 HydrophobicContact CB-CG2 4.31Å; L107-V173 HydrophobicContact CD1-CG2 4.13Å; H110-V173 WeakPolarHBondContact CA-O 3.2Å; S111-V173 PolarHBondContact N-O 3.15Å; S111-V173 PolarHBondContact O-N 3.32Å; V173-D178 WeakPolarHBondContact CA-OD1 3.25Å
174	R	94.3	Very high	97.1	Very high	31 Å²	31	28.9 Å²	28.9	12%	0.117	13%	0.132	C	C	.	.			trans	-122.4	-173	176.9	-54.9	-64.8	177.5	-104.6	1.7	110.4	S111 D112 K141 S172 E177 I179	S111-R174 PolarHBondContact O-NH1 3.38Å; D112-R174 IonicContact OD1-CZ 3.29Å; D112-R174 VanDerWaalsContact OD1-CZ 3.28Å; D112-R174 IonicContact OD1-NH1 3.28Å; D112-R174 PolarHBondContact OD1-NH1 3.16Å; D112-R174 IonicContact OD1-NH2 2.62Å; D112-R174 PolarHBondContact OD1-NH2 3.13Å; D112-R174 IonicContact OD2-NH1 3.97Å; D112-R174 IonicContact OD2-NH2 2.71Å; K141-R174 WeakPolarHBondContact CE-O 3.36Å; K141-R174 PolarHBondContact NZ-O 3.34Å; S172-R174 PolarHBondContact OG-NH2 2.63Å; R174-E177 CarbonylContact C-O 3.54Å; R174-E177 WeakPolarHBondContact CA-O 3.2Å; R174-E177 VanDerWaalsContact CB-O 3.25Å; R174-E177 WeakPolarHBondContact CB-O 3.21Å; R174-E177 PolarHBondContact N-O 3.29Å; R174-E177 VanDerWaalsContact N-O 3.12Å; R174-I179 HydrophobicContact CG-CD1 4.46Å
175	F	91.9	Very high	97.1	Very high	167 Å²	167	25.7 Å²	25.7	73%	0.732	12%	0.117	S	C	*	.	S	Bend	trans	-69.3	-59.6	-175.5	-177.9	-120.5	0	0	0	112.6	K141	K141-F175 WeakPolarHBondContact CE-O 3.41Å
176	Q	92.9	Very high	97.1	Very high	157 Å²	157	26.7 Å²	26.7	73%	0.734	12%	0.124	S	C	*	.	S	Bend	trans	-100	-22.5	-175.5	-75.5	169.4	-7.9	0	0	114.3
177	E	94.5	Very high	97	Very high	57 Å²	57	27.3 Å²	27.3	27%	0.266	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	164	-179.2	63.3	179.6	-163	0	0	110.6	R138 L139 R174 I179	R138-E177 IonicContact CZ-OE1 3.13Å; R138-E177 IonicContact NE-OE1 2.95Å; R138-E177 IonicContact NH1-OE1 2.88Å; R138-E177 PolarHBondContact NH1-OE1 2.86Å; R138-E177 VanDerWaalsContact NH1-OE1 3.11Å; R138-E177 IonicContact NH1-OE2 2.8Å; L139-E177 WeakPolarHBondContact O-CA 3.43Å; R174-E177 CarbonylContact C-O 3.54Å; R174-E177 WeakPolarHBondContact CA-O 3.2Å; R174-E177 VanDerWaalsContact CB-O 3.25Å; R174-E177 WeakPolarHBondContact CB-O 3.21Å; R174-E177 PolarHBondContact N-O 3.29Å; R174-E177 VanDerWaalsContact N-O 3.12Å; E177-I179 HydrophobicContact CG-CG1 4.43Å
178	D	95.9	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.4	164.2	-63.1	-43.5	0	0	0	108.3	L139 K141 A144 S172 V173	L139-D178 HydrophobicContact CB-CB 4.49Å; L139-D178 PolarHBondContact N-O 2.79Å; L139-D178 PolarHBondContact O-N 3.42Å; K141-D178 WeakPolarHBondContact CD-OD2 3.38Å; K141-D178 IonicContact NZ-OD1 2.69Å; K141-D178 PolarHBondContact NZ-OD1 2.73Å; K141-D178 IonicContact NZ-OD2 3.75Å; A144-D178 HydrophobicContact CB-CB 3.58Å; A144-D178 VanDerWaalsContact CB-OD2 3.32Å; A144-D178 WeakPolarHBondContact CB-OD2 3.37Å; S172-D178 WeakPolarHBondContact O-CA 3.29Å; V173-D178 WeakPolarHBondContact CA-OD1 3.25Å
179	I	97	Very high	96.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	-178.1	-49.1	172.9	0	0	0	108	I136 I137 R138 V171 S172 R174 E177 F227	I136-I179 HydrophobicContact CG2-CG2 3.46Å; I136-I179 VanDerWaalsContact CG2-CG2 3.46Å; I137-I179 WeakPolarHBondContact O-CA 3.43Å; R138-I179 HydrophobicContact CG-CG1 4.38Å; V171-I179 CarbonylContact C-O 3.52Å; V171-I179 WeakPolarHBondContact CA-O 3.34Å; S172-I179 PolarHBondContact N-O 2.62Å; S172-I179 PolarHBondContact O-N 2.97Å; R174-I179 HydrophobicContact CG-CD1 4.46Å; E177-I179 HydrophobicContact CG-CG1 4.43Å; I179-F227 HydrophobicContact CB-CD1 4.49Å; I179-F227 HydrophobicContact CB-CE1 4.22Å; I179-F227 HydrophobicContact CD1-CB 4.1Å; I179-F227 HydrophobicContact CD1-CD1 3.86Å; I179-F227 HydrophobicContact CD1-CD2 3.65Å; I179-F227 HydrophobicContact CD1-CE1 4.14Å; I179-F227 HydrophobicContact CD1-CE2 3.96Å; I179-F227 HydrophobicContact CD1-CG 3.6Å; I179-F227 HydrophobicContact CD1-CZ 4.19Å; I179-F227 HydrophobicContact CG2-CD1 3.67Å; I179-F227 HydrophobicContact CG2-CE1 3.59Å; I179-F227 HydrophobicContact CG2-CG 4.49Å; I179-F227 HydrophobicContact CG2-CZ 4.36Å
180	I	97.7	Very high	96.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.9	168.7	60.6	172.5	0	0	0	109.2	I137 L139 C147 L151 V170 V171 L204	I137-I180 HydrophobicContact CB-CD1 4.22Å; I137-I180 HydrophobicContact CB-CG1 3.75Å; I137-I180 HydrophobicContact CD1-CD1 3.94Å; I137-I180 HydrophobicContact CD1-CG1 4.22Å; I137-I180 HydrophobicContact CG1-CG1 4.4Å; I137-I180 PolarHBondContact N-O 2.78Å; I137-I180 PolarHBondContact O-N 2.68Å; L139-I180 HydrophobicContact CD1-CD1 4Å; L139-I180 HydrophobicContact CD1-CG1 4.05Å; L139-I180 HydrophobicContact CD1-CG2 3.98Å; C147-I180 HydrophobicContact CB-CD1 3.92Å; L151-I180 HydrophobicContact CD2-CB 4.37Å; V170-I180 CarbonylContact O-C 3.58Å; V170-I180 WeakPolarHBondContact O-CA 3.3Å; V171-I180 HydrophobicContact CB-CG2 4.11Å; V171-I180 HydrophobicContact CG2-CG2 3.88Å; I180-L204 HydrophobicContact CD1-CD1 3.52Å
181	S	98.3	Very high	96.8	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152	175.1	61.8	0	0	0	0	112.6	W135 A169 V170 W183	W135-S181 WeakPolarHBondContact O-CA 3.29Å; W135-S181 WeakPolarHBondContact O-CB 3.31Å; A169-S181 CarbonylContact C-O 3.57Å; A169-S181 VanDerWaalsContact CA-O 3.25Å; A169-S181 WeakPolarHBondContact CA-O 3.41Å; V170-S181 PolarHBondContact N-O 3.17Å; V170-S181 PolarHBondContact O-N 2.71Å; S181-W183 PolarHBondContact OG-NE1 2.52Å
182	I	98.6	Very high	96.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.1	170.9	-170.7	170.7	0	0	0	108.8	K134 W135 L151 F160 I166 I196 L200	K134-I182 CarbonylContact C-O 3.55Å; K134-I182 WeakPolarHBondContact CA-O 3.41Å; K134-I182 WeakPolarHBondContact CB-O 3.25Å; W135-I182 HydrophobicContact CB-CG2 4.01Å; W135-I182 PolarHBondContact N-O 2.86Å; W135-I182 PolarHBondContact O-N 3.29Å; W135-I182 VanDerWaalsContact O-N 3.15Å; L151-I182 HydrophobicContact CD1-CB 4.35Å; L151-I182 HydrophobicContact CD1-CD1 4.2Å; F160-I182 HydrophobicContact CD1-CD1 4.11Å; F160-I182 HydrophobicContact CD2-CD1 4.05Å; F160-I182 HydrophobicContact CE1-CD1 3.55Å; F160-I182 HydrophobicContact CE2-CD1 3.46Å; F160-I182 VanDerWaalsContact CE2-CD1 3.46Å; F160-I182 HydrophobicContact CG-CD1 4.34Å; F160-I182 HydrophobicContact CZ-CD1 3.2Å; I166-I182 HydrophobicContact CD1-CD1 3.83Å; I166-I182 HydrophobicContact CD1-CG1 4.29Å; I166-I182 HydrophobicContact CG2-CD1 4.13Å; I166-I182 HydrophobicContact CG2-CG1 4.26Å; I182-I196 HydrophobicContact CG2-CG2 3.58Å; I182-L200 HydrophobicContact CG2-CD1 3.73Å; I182-L200 HydrophobicContact CG2-CD2 4.05Å; I182-L200 HydrophobicContact CG2-CG 4.21Å
183	W	98.6	Very high	96.8	Very high	18 Å²	18	46.8 Å²	46.8	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.9	-170.6	-67.1	39.1	0	0	0	109.5	F116 N129 G133 K134 C167 G168 V170 S181 H217	F116-W183 HydrophobicContact CE1-CB 4.23Å; F116-W183 HydrophobicContact CE1-CD2 4.08Å; F116-W183 AromaticContact CE1-CE3 3.95Å; F116-W183 HydrophobicContact CE1-CE3 3.95Å; F116-W183 HydrophobicContact CE1-CG 4.22Å; F116-W183 HydrophobicContact CZ-CB 4.29Å; F116-W183 AromaticContact CZ-CD2 3.75Å; F116-W183 HydrophobicContact CZ-CD2 3.75Å; F116-W183 AromaticContact CZ-CE3 3.99Å; F116-W183 HydrophobicContact CZ-CE3 3.99Å; F116-W183 AromaticContact CZ-CG 3.88Å; F116-W183 HydrophobicContact CZ-CG 3.88Å; N129-W183 HydrophobicContact CB-CE3 4.42Å; N129-W183 HydrophobicContact CB-CZ3 4.47Å; G133-W183 WeakPolarHBondContact O-CA 3.43Å; K134-W183 HydrophobicContact CB-CD2 4.43Å; K134-W183 HydrophobicContact CB-CG 3.93Å; K134-W183 HydrophobicContact CD-CZ2 4.01Å; C167-W183 HydrophobicContact CB-CB 4.17Å; C167-W183 PolarHBondContact N-O 3.5Å; G168-W183 PolarHBondContact O-N 3.06Å; V170-W183 HydrophobicContact CG2-CZ2 4.44Å; S181-W183 PolarHBondContact OG-NE1 2.52Å; W183-H217 AromaticContact CD2-CE1 3.4Å; W183-H217 VanDerWaalsContact CD2-CE1 3.4Å; W183-H217 AromaticContact CD2-NE2 3.59Å; W183-H217 AromaticContact CE2-CE1 3.79Å; W183-H217 AromaticContact CE3-CE1 3.18Å; W183-H217 AromaticContact CE3-NE2 3.14Å; W183-H217 AromaticContact CH2-CE1 3.77Å; W183-H217 AromaticContact CZ2-CE1 3.97Å; W183-H217 AromaticContact CZ3-CE1 3.38Å; W183-H217 WeakPolarHBondContact CZ3-CE1 3.39Å; W183-H217 AromaticContact CZ3-ND1 3.97Å; W183-H217 AromaticContact CZ3-NE2 3.64Å
184	N	98.6	Very high	96.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.4	175.8	80.4	-77.1	0	0	0	112.4	G132 G133 E165 T186 I196 Y214	G132-N184 WeakPolarHBondContact CA-O 3.16Å; G133-N184 PolarHBondContact N-O 3.14Å; G133-N184 VanDerWaalsContact N-O 3.15Å; G133-N184 PolarHBondContact O-N 2.82Å; G133-N184 PolarHBondContact O-OD1 2.93Å; E165-N184 CarbonylContact O-C 3.48Å; E165-N184 WeakPolarHBondContact O-CA 3.08Å; E165-N184 WeakPolarHBondContact O-CB 3.03Å; E165-N184 PolarHBondContact OE2-ND2 2.78Å; E165-N184 VanDerWaalsContact OE2-ND2 3.09Å; N184-T186 PolarHBondContact ND2-N 2.97Å; N184-T186 PolarHBondContact ND2-O 2.91Å; N184-T186 PolarHBondContact O-N 2.81Å; N184-I196 HydrophobicContact CB-CD1 3.67Å; N184-Y214 WeakPolarHBondContact OD1-CE2 3.22Å; N184-Y214 PolarHBondContact OD1-OH 3.45Å
185	K	98.2	Very high	97.1	Very high	53 Å²	53	53 Å²	53	23%	0.23	28%	0.279	C	S	.	.	S	Bend	trans	-65	-38.7	-171.6	-66.7	177.6	177	173.9	0	114	A128 N131 G132 E164 E165 C167	A128-K185 WeakPolarHBondContact O-CA 3.31Å; N131-K185 CarbonylContact C-O 3.22Å; N131-K185 VanDerWaalsContact C-O 3.22Å; G132-K185 WeakPolarHBondContact CA-O 3.32Å; G132-K185 PolarHBondContact N-O 2.85Å; G132-K185 VanDerWaalsContact N-O 3.12Å; E164-K185 WeakPolarHBondContact O-CD 3.41Å; E164-K185 WeakPolarHBondContact O-CE 3.11Å; E164-K185 PolarHBondContact O-NZ 2.93Å; E164-K185 IonicContact OE2-NZ 2.94Å; E165-K185 PolarHBondContact O-N 2.8Å; E165-K185 PolarHBondContact OE2-N 2.94Å; C167-K185 WeakPolarHBondContact SG-CG 3.4Å
186	T	97.8	Very high	97.4	Very high	47 Å²	47	45.1 Å²	45.1	29%	0.288	24%	0.244	S	C	.	.			trans	-122.8	100.9	-168.6	-48.4	0	0	0	0	111.7	E165 N184 S188 D189	E165-T186 PolarHBondContact OE1-OG1 3.46Å; E165-T186 WeakPolarHBondContact OE2-CB 3.38Å; E165-T186 PolarHBondContact OE2-N 2.8Å; N184-T186 PolarHBondContact ND2-N 2.97Å; N184-T186 PolarHBondContact ND2-O 2.91Å; N184-T186 PolarHBondContact O-N 2.81Å; T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 WeakPolarHBondContact CG2-OG 3.36Å; T186-S188 PolarHBondContact O-N 3.46Å; T186-D189 HydrophobicContact CG2-CB 4.05Å; T186-D189 PolarHBondContact O-N 3.39Å
187	A	97.2	Very high	97.6	Very high	22 Å²	22	40.3 Å²	40.3	18%	0.182	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.3	-179	0	0	0	0	0	114.4	N131 D189 Y214 T216	N131-A187 WeakPolarHBondContact O-CB 3.38Å; N131-A187 PolarHBondContact O-N 3.09Å; A187-D189 VanDerWaalsContact C-N 3.3Å; A187-Y214 WeakPolarHBondContact CA-OH 3.47Å; A187-Y214 HydrophobicContact CB-CE1 4.1Å; A187-T216 HydrophobicContact CB-CG2 3.91Å
188	S	96.8	Very high	97.7	Very high	102 Å²	102	41.3 Å²	41.3	71%	0.713	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.7	179.1	51.9	0	0	0	0	113.5	T186 Q190	T186-S188 VanDerWaalsContact C-N 3.29Å; T186-S188 WeakPolarHBondContact CG2-OG 3.36Å; T186-S188 PolarHBondContact O-N 3.46Å; S188-Q190 PolarHBondContact O-N 3.12Å
189	D	97.6	Very high	97.7	Very high	54 Å²	54	41.8 Å²	41.8	29%	0.289	23%	0.229	S	C	.	.			trans	-78.9	91.8	176.9	-174.4	-9.7	0	0	0	110.4	T186 A187 A191 T192 T193	T186-D189 HydrophobicContact CG2-CB 4.05Å; T186-D189 PolarHBondContact O-N 3.39Å; A187-D189 VanDerWaalsContact C-N 3.3Å; D189-A191 VanDerWaalsContact C-N 3.28Å; D189-A191 PolarHBondContact O-N 3.15Å; D189-A191 WeakPolarHBondContact OD1-CB 3.35Å; D189-A191 PolarHBondContact OD1-N 3.2Å; D189-T192 VanDerWaalsContact CG-OG1 3.24Å; D189-T192 PolarHBondContact O-N 2.79Å; D189-T192 PolarHBondContact OD1-N 2.81Å; D189-T192 WeakPolarHBondContact OD2-CB 3.41Å; D189-T192 PolarHBondContact OD2-OG1 3.47Å; D189-T193 WeakPolarHBondContact O-CG2 3.35Å; D189-T193 PolarHBondContact O-N 3.5Å; D189-T193 PolarHBondContact O-OG1 2.67Å
190	Q	97	Very high	97.8	Very high	158 Å²	158	41.8 Å²	41.8	74%	0.738	23%	0.229	S	C	*	.	H	α-helix	trans	-64.9	-31.3	179.6	-66	-176.6	4.4	0	0	112.8	S188 T193 A194	S188-Q190 PolarHBondContact O-N 3.12Å; Q190-T193 VanDerWaalsContact CA-OG1 3.3Å; Q190-T193 WeakPolarHBondContact CA-OG1 3.06Å; Q190-T193 PolarHBondContact O-OG1 2.61Å; Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 2.85Å
191	A	98	Very high	97.6	Very high	73 Å²	73	45.3 Å²	45.3	60%	0.603	24%	0.243	S	C	*	.	H	α-helix	trans	-69.9	-44.5	179.5	0	0	0	0	0	110.7	D189 R195	D189-A191 VanDerWaalsContact C-N 3.28Å; D189-A191 PolarHBondContact O-N 3.15Å; D189-A191 WeakPolarHBondContact OD1-CB 3.35Å; D189-A191 PolarHBondContact OD1-N 3.2Å; A191-R195 WeakPolarHBondContact O-CB 3.35Å; A191-R195 PolarHBondContact O-N 3.45Å
192	T	98.2	Very high	97.5	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.086	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-51	174	-73.7	0	0	0	0	111.3	V162 E165 D189 A194 R195 I196	V162-T192 HydrophobicContact CB-CG2 4.06Å; V162-T192 HydrophobicContact CG1-CG2 3.95Å; E165-T192 HydrophobicContact CB-CG2 3.68Å; E165-T192 HydrophobicContact CG-CG2 3.68Å; D189-T192 VanDerWaalsContact CG-OG1 3.24Å; D189-T192 PolarHBondContact O-N 2.79Å; D189-T192 PolarHBondContact OD1-N 2.81Å; D189-T192 WeakPolarHBondContact OD2-CB 3.41Å; D189-T192 PolarHBondContact OD2-OG1 3.47Å; T192-A194 VanDerWaalsContact C-N 3.35Å; T192-A194 PolarHBondContact O-N 2.96Å; T192-R195 PolarHBondContact O-N 2.69Å; T192-I196 HydrophobicContact CG2-CD1 3.74Å; T192-I196 HydrophobicContact CG2-CG1 4.42Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.34Å; T192-I196 PolarHBondContact O-N 3.39Å
193	T	97.9	Very high	97.4	Very high	15 Å²	15	52.7 Å²	52.7	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-39	-177.3	53.4	0	0	0	0	112.2	W135 D189 Q190 I196 R197 Y214	W135-T193 PolarHBondContact NE1-O 3.28Å; D189-T193 WeakPolarHBondContact O-CG2 3.35Å; D189-T193 PolarHBondContact O-N 3.5Å; D189-T193 PolarHBondContact O-OG1 2.67Å; Q190-T193 VanDerWaalsContact CA-OG1 3.3Å; Q190-T193 WeakPolarHBondContact CA-OG1 3.06Å; Q190-T193 PolarHBondContact O-OG1 2.61Å; T193-I196 PolarHBondContact O-N 3.48Å; T193-R197 PolarHBondContact O-N 2.94Å; T193-Y214 HydrophobicContact CG2-CD2 4.37Å; T193-Y214 HydrophobicContact CG2-CE1 4.11Å; T193-Y214 HydrophobicContact CG2-CE2 3.62Å; T193-Y214 VanDerWaalsContact CG2-CZ 3.46Å; T193-Y214 WeakPolarHBondContact CG2-OH 3.43Å
194	A	97.7	Very high	97.2	Very high	32 Å²	32	52.2 Å²	52.2	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-44.4	173.1	0	0	0	0	0	112.2	Q190 T192 I196 R197 D198	Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 2.85Å; T192-A194 VanDerWaalsContact C-N 3.35Å; T192-A194 PolarHBondContact O-N 2.96Å; A194-I196 VanDerWaalsContact C-N 3.31Å; A194-I196 PolarHBondContact O-N 3.22Å; A194-R197 WeakPolarHBondContact O-CB 3.41Å; A194-R197 PolarHBondContact O-N 3.08Å; A194-D198 VanDerWaalsContact O-CG 3.23Å; A194-D198 PolarHBondContact O-N 3.21Å
195	R	98	Very high	96.9	Very high	134 Å²	134	58.2 Å²	58.2	51%	0.506	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-38.6	177.1	-177.3	173.7	-65.6	-136	-6.5	112.6	F160 M161 V162 A191 T192 D198 T199	F160-R195 WeakPolarHBondContact O-CD 3.22Å; F160-R195 WeakPolarHBondContact O-CG 3.4Å; M161-R195 WeakPolarHBondContact O-CD 3.08Å; M161-R195 PolarHBondContact O-NH1 2.87Å; M161-R195 VanDerWaalsContact O-NH1 3.1Å; V162-R195 HydrophobicContact CG1-CB 4.03Å; V162-R195 HydrophobicContact CG1-CG 3.95Å; A191-R195 WeakPolarHBondContact O-CB 3.35Å; A191-R195 PolarHBondContact O-N 3.45Å; T192-R195 PolarHBondContact O-N 2.69Å; R195-D198 PolarHBondContact O-N 3.11Å; R195-T199 WeakPolarHBondContact O-CB 3.48Å; R195-T199 PolarHBondContact O-N 2.97Å; R195-T199 PolarHBondContact O-OG1 3.36Å
196	I	98.4	Very high	96.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-47	175.1	-67	168.6	0	0	0	110.2	W135 F160 V162 I166 I182 N184 T192 T193 A194 D198 T199 L200	W135-I196 HydrophobicContact CG-CG2 4.39Å; F160-I196 HydrophobicContact CD1-CB 4.31Å; F160-I196 HydrophobicContact CD1-CG1 4.16Å; F160-I196 HydrophobicContact CD1-CG2 4.06Å; F160-I196 HydrophobicContact CE1-CG2 3.94Å; V162-I196 HydrophobicContact CG1-CG1 4.14Å; V162-I196 HydrophobicContact CG2-CG1 4.39Å; I166-I196 HydrophobicContact CD1-CD1 3.62Å; I166-I196 HydrophobicContact CD1-CG1 3.91Å; I182-I196 HydrophobicContact CG2-CG2 3.58Å; N184-I196 HydrophobicContact CB-CD1 3.67Å; T192-I196 HydrophobicContact CG2-CD1 3.74Å; T192-I196 HydrophobicContact CG2-CG1 4.42Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.34Å; T192-I196 PolarHBondContact O-N 3.39Å; T193-I196 PolarHBondContact O-N 3.48Å; A194-I196 VanDerWaalsContact C-N 3.31Å; A194-I196 PolarHBondContact O-N 3.22Å; I196-D198 VanDerWaalsContact C-N 3.35Å; I196-D198 PolarHBondContact O-N 3.43Å; I196-T199 PolarHBondContact O-N 3.21Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 HydrophobicContact CG2-CG 4.34Å; I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 WeakPolarHBondContact O-CG 3.4Å; I196-L200 PolarHBondContact O-N 3.31Å
197	R	97	Very high	95.5	Very high	56 Å²	56	57.4 Å²	57.4	21%	0.211	30%	0.302	C	S	.	.	H	α-helix	trans	-55.4	-49.5	176.4	-176	-163.3	62.5	-160.6	-8.4	111.8	W135 T193 A194 T199 L200 R201 M212	W135-R197 HydrophobicContact CD2-CB 4.29Å; W135-R197 HydrophobicContact CH2-CB 4.08Å; W135-R197 HydrophobicContact CH2-CG 3.85Å; W135-R197 HydrophobicContact CZ2-CB 3.57Å; W135-R197 HydrophobicContact CZ2-CG 3.89Å; W135-R197 HydrophobicContact CZ3-CG 4.18Å; T193-R197 PolarHBondContact O-N 2.94Å; A194-R197 WeakPolarHBondContact O-CB 3.41Å; A194-R197 PolarHBondContact O-N 3.08Å; R197-T199 VanDerWaalsContact C-N 3.32Å; R197-T199 PolarHBondContact O-N 3.21Å; R197-L200 WeakPolarHBondContact O-CB 3.27Å; R197-L200 PolarHBondContact O-N 3.02Å; R197-R201 PolarHBondContact O-N 3.24Å; R197-M212 HydrophobicContact CB-CE 4.39Å; R197-M212 HydrophobicContact CG-CE 3.84Å; R197-M212 HydrophobicContact CG-SD 4.11Å
198	D	96.4	Very high	94.8	Very high	78 Å²	78	62.3 Å²	62.3	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-36.5	-175.9	-61.4	-11.8	0	0	0	111	A194 R195 I196 R202	A194-D198 VanDerWaalsContact O-CG 3.23Å; A194-D198 PolarHBondContact O-N 3.21Å; R195-D198 PolarHBondContact O-N 3.11Å; I196-D198 VanDerWaalsContact C-N 3.35Å; I196-D198 PolarHBondContact O-N 3.43Å; D198-R202 PolarHBondContact O-N 3.43Å
199	T	97.5	Very high	94.3	Very high	10 Å²	10	63.1 Å²	63.1	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-45.7	172.2	-61.7	0	0	0	0	111.8	F160 R195 I196 R197 R201 R202 V203	F160-T199 HydrophobicContact CD1-CG2 3.61Å; F160-T199 HydrophobicContact CE1-CG2 3.68Å; F160-T199 HydrophobicContact CG-CG2 4.05Å; F160-T199 HydrophobicContact CZ-CG2 4.18Å; R195-T199 WeakPolarHBondContact O-CB 3.48Å; R195-T199 PolarHBondContact O-N 2.97Å; R195-T199 PolarHBondContact O-OG1 3.36Å; I196-T199 PolarHBondContact O-N 3.21Å; R197-T199 VanDerWaalsContact C-N 3.32Å; R197-T199 PolarHBondContact O-N 3.21Å; T199-R201 VanDerWaalsContact C-N 3.34Å; T199-R201 PolarHBondContact O-N 3.09Å; T199-R202 PolarHBondContact O-N 2.72Å; T199-R202 VanDerWaalsContact O-N 3.16Å; T199-V203 HydrophobicContact CG2-CG1 3.9Å; T199-V203 WeakPolarHBondContact O-CG1 3.35Å; T199-V203 WeakPolarHBondContact O-CG2 3.24Å; T199-V203 PolarHBondContact O-N 3.37Å
200	L	97.4	Very high	93.9	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-55.4	-47.7	176.6	-78.1	171	0	0	0	111.5	W135 I137 L151 F160 I182 I196 R197 R202 V203 L204 M212	W135-L200 HydrophobicContact CB-CD1 3.55Å; W135-L200 HydrophobicContact CG-CD1 3.93Å; I137-L200 HydrophobicContact CD1-CD1 4.49Å; L151-L200 HydrophobicContact CD1-CD2 3.51Å; F160-L200 HydrophobicContact CE1-CD2 4.25Å; F160-L200 HydrophobicContact CE1-CG 4.14Å; F160-L200 HydrophobicContact CZ-CD2 4.2Å; I182-L200 HydrophobicContact CG2-CD1 3.73Å; I182-L200 HydrophobicContact CG2-CD2 4.05Å; I182-L200 HydrophobicContact CG2-CG 4.21Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 HydrophobicContact CG2-CG 4.34Å; I196-L200 WeakPolarHBondContact O-CB 3.41Å; I196-L200 WeakPolarHBondContact O-CG 3.4Å; I196-L200 PolarHBondContact O-N 3.31Å; R197-L200 WeakPolarHBondContact O-CB 3.27Å; R197-L200 PolarHBondContact O-N 3.02Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 3.02Å; L200-V203 PolarHBondContact O-N 2.84Å; L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 VanDerWaalsContact O-CB 3.23Å; L200-L204 WeakPolarHBondContact O-CB 3.18Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.34Å; L200-L204 PolarHBondContact O-N 3.01Å; L200-M212 HydrophobicContact CB-CE 3.64Å; L200-M212 HydrophobicContact CD1-CE 3.44Å; L200-M212 VanDerWaalsContact CD1-CE 3.44Å; L200-M212 HydrophobicContact CG-CE 4.21Å
201	R	94.8	Very high	93.6	Very high	75 Å²	75	58.7 Å²	58.7	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-55.4	-45.9	177.1	-73.2	-175.4	173.7	-172.1	-3	111.8	R197 T199 N205 L206 M212 L234	R197-R201 PolarHBondContact O-N 3.24Å; T199-R201 VanDerWaalsContact C-N 3.34Å; T199-R201 PolarHBondContact O-N 3.09Å; R201-N205 PolarHBondContact O-N 3.11Å; R201-L206 PolarHBondContact O-N 3.24Å; R201-M212 HydrophobicContact CG-SD 3.62Å; R201-L234 PolarHBondContact NH2-OXT 3.34Å
202	R	95.6	Very high	93.5	Very high	137 Å²	137	55.2 Å²	55.2	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-50.8	-179.5	179.2	174.4	54.5	85.5	0	112.8	Q159 D198 T199 L200	Q159-R202 PolarHBondContact O-NH2 3.24Å; D198-R202 PolarHBondContact O-N 3.43Å; T199-R202 PolarHBondContact O-N 2.72Å; T199-R202 VanDerWaalsContact O-N 3.16Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 3.02Å
203	V	96.5	Very high	93.3	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-76.7	-27.6	-172.1	-56.9	0	0	0	0	112.9	N150 A154 T199 L200	N150-V203 PolarHBondContact ND2-O 2.75Å; A154-V203 HydrophobicContact CB-CB 3.96Å; A154-V203 HydrophobicContact CB-CG1 3.82Å; A154-V203 HydrophobicContact CB-CG2 3.9Å; T199-V203 HydrophobicContact CG2-CG1 3.9Å; T199-V203 WeakPolarHBondContact O-CG1 3.35Å; T199-V203 WeakPolarHBondContact O-CG2 3.24Å; T199-V203 PolarHBondContact O-N 3.37Å; L200-V203 PolarHBondContact O-N 2.84Å
204	L	95.2	Very high	93.3	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-90.2	-5.1	179.1	-59	-178.4	0	0	0	113.3	I137 C147 N150 L151 I180 L200 L206	I137-L204 HydrophobicContact CD1-CD1 3.51Å; C147-L204 HydrophobicContact CB-CD2 4.34Å; C147-L204 WeakPolarHBondContact O-CD2 3.47Å; N150-L204 HydrophobicContact CB-CD2 3.82Å; L151-L204 HydrophobicContact CB-CD2 4.07Å; I180-L204 HydrophobicContact CD1-CD1 3.52Å; L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 VanDerWaalsContact O-CB 3.23Å; L200-L204 WeakPolarHBondContact O-CB 3.18Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.34Å; L200-L204 PolarHBondContact O-N 3.01Å; L204-L206 HydrophobicContact CB-CD1 4.27Å; L204-L206 HydrophobicContact CB-CD2 3.69Å; L204-L206 HydrophobicContact CB-CG 3.69Å; L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 HydrophobicContact CD1-CD2 4.38Å; L204-L206 PolarHBondContact O-N 2.87Å
205	N	91.2	Very high	93.1	Very high	126 Å²	126	54.9 Å²	54.9	67%	0.674	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	46.2	-174.6	-63.8	-57.8	0	0	0	112.1	R201	R201-N205 PolarHBondContact O-N 3.11Å
206	L	83	Confident	93	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.141	26%	0.256	C	S	.	.			trans	-71.8	139.7	-176.4	-60	177.1	0	0	0	110.6	I137 R201 L204 T210 M212	I137-L206 HydrophobicContact CD1-CD1 3.73Å; R201-L206 PolarHBondContact O-N 3.24Å; L204-L206 HydrophobicContact CB-CD1 4.27Å; L204-L206 HydrophobicContact CB-CD2 3.69Å; L204-L206 HydrophobicContact CB-CG 3.69Å; L204-L206 HydrophobicContact CD1-CD1 4.28Å; L204-L206 HydrophobicContact CD1-CD2 4.38Å; L204-L206 PolarHBondContact O-N 2.87Å; L206-T210 HydrophobicContact CB-CG2 4.26Å; L206-T210 HydrophobicContact CD1-CG2 3.98Å; L206-T210 HydrophobicContact CD2-CG2 4.23Å; L206-T210 HydrophobicContact CG-CG2 4.36Å; L206-M212 HydrophobicContact CD1-SD 4.07Å
207	P	83.5	Confident	92.7	Very high	56 Å²	56	49.9 Å²	49.9	36%	0.364	26%	0.256	S	S	.	.			trans	-50.6	144.6	164.5	-27.6	34	0	0	0	111.5	N209 T210	P207-N209 VanDerWaalsContact CB-OD1 3.25Å; P207-N209 WeakPolarHBondContact CB-OD1 3.46Å; P207-N209 PolarHBondContact O-N 2.79Å; P207-T210 VanDerWaalsContact CD-OG1 3.29Å; P207-T210 WeakPolarHBondContact CD-OG1 3.44Å; P207-T210 VanDerWaalsContact O-CB 3.3Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 2.57Å; P207-T210 PolarHBondContact O-OG1 2.97Å
208	P	82.8	Confident	92.4	Very high	126 Å²	126	50.3 Å²	50.3	82%	0.818	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.2	-176.8	-27.3	34.5	0	0	0	114.9
209	N	86	Confident	92.1	Very high	119 Å²	119	49.6 Å²	49.6	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	8.6	179.6	64.9	-33	0	0	0	113.7	P207 I211	P207-N209 VanDerWaalsContact CB-OD1 3.25Å; P207-N209 WeakPolarHBondContact CB-OD1 3.46Å; P207-N209 PolarHBondContact O-N 2.79Å; N209-I211 PolarHBondContact O-N 2.95Å
210	T	89.1	Confident	91.5	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.172	26%	0.263	C	S	.	.			trans	-66.9	119.5	177.9	-55.5	0	0	0	0	109.8	I137 L206 P207 M212	I137-T210 HydrophobicContact CG2-CG2 3.93Å; L206-T210 HydrophobicContact CB-CG2 4.26Å; L206-T210 HydrophobicContact CD1-CG2 3.98Å; L206-T210 HydrophobicContact CD2-CG2 4.23Å; L206-T210 HydrophobicContact CG-CG2 4.36Å; P207-T210 VanDerWaalsContact CD-OG1 3.29Å; P207-T210 WeakPolarHBondContact CD-OG1 3.44Å; P207-T210 VanDerWaalsContact O-CB 3.3Å; P207-T210 WeakPolarHBondContact O-CB 3.43Å; P207-T210 PolarHBondContact O-N 2.57Å; P207-T210 PolarHBondContact O-OG1 2.97Å; T210-M212 PolarHBondContact O-N 3.03Å
211	I	91.9	Very high	90.8	Very high	90 Å²	90	52.4 Å²	52.4	46%	0.462	28%	0.276	S	S	.	.			trans	-68.6	127.5	177.9	-61.4	174.2	0	0	0	109	N209 E213 I232	N209-I211 PolarHBondContact O-N 2.95Å; I211-E213 HydrophobicContact CG2-CG 4.17Å; I211-I232 HydrophobicContact CG2-CG2 4.23Å
212	M	94.6	Very high	90.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.6	172.7	-58.5	-177.6	55.6	0	0	108.8	W135 I137 R197 L200 R201 L206 T210 T233	W135-M212 HydrophobicContact CD2-CE 4.35Å; W135-M212 HydrophobicContact CE3-CB 3.86Å; W135-M212 HydrophobicContact CE3-CE 4.06Å; W135-M212 HydrophobicContact CZ3-CB 3.81Å; I137-M212 HydrophobicContact CD1-CE 4.18Å; I137-M212 HydrophobicContact CG1-CE 4.35Å; I137-M212 HydrophobicContact CG1-CG 4.1Å; R197-M212 HydrophobicContact CB-CE 4.39Å; R197-M212 HydrophobicContact CG-CE 3.84Å; R197-M212 HydrophobicContact CG-SD 4.11Å; L200-M212 HydrophobicContact CB-CE 3.64Å; L200-M212 HydrophobicContact CD1-CE 3.44Å; L200-M212 VanDerWaalsContact CD1-CE 3.44Å; L200-M212 HydrophobicContact CG-CE 4.21Å; R201-M212 HydrophobicContact CG-SD 3.62Å; L206-M212 HydrophobicContact CD1-SD 4.07Å; T210-M212 PolarHBondContact O-N 3.03Å; M212-T233 PolarHBondContact O-N 3.23Å
213	E	95	Very high	89.5	Confident	22 Å²	22	52.3 Å²	52.3	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.4	-172.8	-79.6	167.3	-165.2	0	0	109.7	W135 I136 I211 T230 I232	W135-E213 CarbonylContact C-O 3.53Å; W135-E213 WeakPolarHBondContact CA-O 3.45Å; I136-E213 HydrophobicContact CB-CB 4.31Å; I136-E213 PolarHBondContact N-O 2.86Å; I136-E213 PolarHBondContact O-N 2.85Å; I211-E213 HydrophobicContact CG2-CG 4.17Å; E213-T230 HydrophobicContact CB-CG2 4.04Å; E213-T230 WeakPolarHBondContact CG-OG1 3.42Å; E213-T230 PolarHBondContact OE1-OG1 2.76Å; E213-T230 VanDerWaalsContact OE2-CB 3.23Å; E213-T230 WeakPolarHBondContact OE2-CB 3.43Å; E213-T230 WeakPolarHBondContact OE2-CG2 3.45Å; E213-T230 PolarHBondContact OE2-OG1 2.95Å; E213-I232 HydrophobicContact CG-CG1 4.34Å
214	Y	97	Very high	88.5	Confident	28 Å²	28	58.7 Å²	58.7	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.1	171.3	-165.9	-97.9	0	0	0	109.8	G133 K134 W135 N184 A187 T193 T216	G133-Y214 VanDerWaalsContact CA-OH 3.26Å; G133-Y214 WeakPolarHBondContact CA-OH 3.49Å; G133-Y214 PolarHBondContact N-OH 3.37Å; K134-Y214 WeakPolarHBondContact O-CA 3.17Å; K134-Y214 WeakPolarHBondContact O-CD2 3.33Å; W135-Y214 AromaticContact CD1-CD2 3.6Å; W135-Y214 AromaticContact CD1-CE2 3.9Å; W135-Y214 AromaticContact CD2-CD2 3.76Å; W135-Y214 HydrophobicContact CD2-CD2 3.76Å; W135-Y214 HydrophobicContact CD2-CG 4.45Å; W135-Y214 AromaticContact CE2-CD2 3.59Å; W135-Y214 HydrophobicContact CE3-CD2 4.5Å; W135-Y214 AromaticContact CG-CD2 3.76Å; W135-Y214 HydrophobicContact CG-CD2 3.76Å; W135-Y214 HydrophobicContact CG-CE2 4.41Å; W135-Y214 HydrophobicContact CZ2-CD2 4.19Å; W135-Y214 HydrophobicContact CZ2-CG 4.41Å; W135-Y214 AromaticContact NE1-CD2 3.52Å; W135-Y214 AromaticContact NE1-CE2 3.98Å; N184-Y214 WeakPolarHBondContact OD1-CE2 3.22Å; N184-Y214 PolarHBondContact OD1-OH 3.45Å; A187-Y214 WeakPolarHBondContact CA-OH 3.47Å; A187-Y214 HydrophobicContact CB-CE1 4.1Å; T193-Y214 HydrophobicContact CG2-CD2 4.37Å; T193-Y214 HydrophobicContact CG2-CE1 4.11Å; T193-Y214 HydrophobicContact CG2-CE2 3.62Å; T193-Y214 VanDerWaalsContact CG2-CZ 3.46Å; T193-Y214 WeakPolarHBondContact CG2-OH 3.43Å; Y214-T216 HydrophobicContact CE1-CG2 4.47Å
215	K	94.8	Very high	87.5	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.017	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.6	176.7	-154.2	176.9	177.7	177.2	0	110.8	G133 K134 I136 S220 D223 S225 R228 T230	G133-K215 CarbonylContact C-O 3.56Å; G133-K215 WeakPolarHBondContact CA-O 3.34Å; K134-K215 PolarHBondContact N-O 3.21Å; K134-K215 PolarHBondContact O-N 3.26Å; I136-K215 HydrophobicContact CD1-CB 3.84Å; K215-S220 VanDerWaalsContact CD-OG 3.29Å; K215-S220 WeakPolarHBondContact CD-OG 3.25Å; K215-S220 WeakPolarHBondContact CE-OG 3.49Å; K215-D223 IonicContact NZ-OD1 3.5Å; K215-D223 PolarHBondContact NZ-OD1 2.8Å; K215-D223 IonicContact NZ-OD2 3.11Å; K215-D223 PolarHBondContact NZ-OD2 2.66Å; K215-S225 PolarHBondContact NZ-O 2.96Å; K215-R228 WeakPolarHBondContact CE-O 3.14Å; K215-R228 PolarHBondContact NZ-O 2.69Å; K215-T230 HydrophobicContact CB-CG2 3.96Å; K215-T230 HydrophobicContact CD-CG2 3.78Å; K215-T230 HydrophobicContact CG-CG2 4.05Å
216	T	95.7	Very high	86.6	Confident	28 Å²	28	56 Å²	56	17%	0.172	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	150	170.8	73.4	0	0	0	0	109.6	A187 Y214 T218 D219 S220	A187-T216 HydrophobicContact CB-CG2 3.91Å; Y214-T216 HydrophobicContact CE1-CG2 4.47Å; T216-T218 VanDerWaalsContact C-N 3.27Å; T216-T218 PolarHBondContact OG1-OG1 3.34Å; T216-T218 VanDerWaalsContact OG1-OG1 3.1Å; T216-D219 PolarHBondContact O-N 3.25Å; T216-D219 WeakPolarHBondContact OG1-CB 3.41Å; T216-D219 PolarHBondContact OG1-N 3.05Å; T216-D219 PolarHBondContact OG1-OD2 3.22Å; T216-S220 PolarHBondContact O-N 2.89Å; T216-S220 VanDerWaalsContact O-N 3.15Å; T216-S220 PolarHBondContact O-OG 3.48Å
217	H	92.8	Very high	86.1	Confident	3 Å²	3	56 Å²	56	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-35.6	174.6	-68.1	-42.1	0	0	0	111.1	W124 N129 G132 G133 W183 D219 S220 I221	W124-H217 HydrophobicContact CB-CB 3.91Å; N129-H217 PolarHBondContact O-CD2 2.74Å; G132-H217 PolarHBondContact O-CD2 3.44Å; G132-H217 PolarHBondContact O-N 3.28Å; G133-H217 PolarHBondContact N-CD2 3.38Å; W183-H217 AromaticContact CD2-CE1 3.4Å; W183-H217 VanDerWaalsContact CD2-CE1 3.4Å; W183-H217 AromaticContact CD2-NE2 3.59Å; W183-H217 AromaticContact CE2-CE1 3.79Å; W183-H217 AromaticContact CE3-CE1 3.18Å; W183-H217 AromaticContact CE3-NE2 3.14Å; W183-H217 AromaticContact CH2-CE1 3.77Å; W183-H217 AromaticContact CZ2-CE1 3.97Å; W183-H217 AromaticContact CZ3-CE1 3.38Å; W183-H217 WeakPolarHBondContact CZ3-CE1 3.39Å; W183-H217 AromaticContact CZ3-ND1 3.97Å; W183-H217 AromaticContact CZ3-NE2 3.64Å; H217-D219 PolarHBondContact O-N 3.31Å; H217-S220 WeakPolarHBondContact O-CB 3.44Å; H217-S220 PolarHBondContact O-N 2.89Å; H217-S220 VanDerWaalsContact O-N 3.14Å; H217-I221 WeakPolarHBondContact O-CD1 3.39Å; H217-I221 VanDerWaalsContact O-CG1 3.25Å; H217-I221 WeakPolarHBondContact O-CG1 3.42Å; H217-I221 PolarHBondContact O-N 3.42Å; H217-I221 VanDerWaalsContact O-N 3.14Å
218	T	90.6	Very high	85.3	Confident	65 Å²	65	61.8 Å²	61.8	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-42	174.8	52.4	0	0	0	0	113.3	T216 I221 K222	T216-T218 VanDerWaalsContact C-N 3.27Å; T216-T218 PolarHBondContact OG1-OG1 3.34Å; T216-T218 VanDerWaalsContact OG1-OG1 3.1Å; T218-I221 PolarHBondContact O-N 3.48Å; T218-K222 WeakPolarHBondContact O-CG 3.39Å; T218-K222 PolarHBondContact O-N 3.19Å
219	D	90.3	Very high	84.4	Confident	63 Å²	63	62.1 Å²	62.1	34%	0.337	32%	0.317	S	S	.	.	H	α-helix	trans	-71.1	-32.9	176	-63.5	-31.3	0	0	0	112	T216 H217 I221 K222 D223	T216-D219 PolarHBondContact O-N 3.25Å; T216-D219 WeakPolarHBondContact OG1-CB 3.41Å; T216-D219 PolarHBondContact OG1-N 3.05Å; T216-D219 PolarHBondContact OG1-OD2 3.22Å; H217-D219 PolarHBondContact O-N 3.31Å; D219-I221 VanDerWaalsContact C-N 3.26Å; D219-I221 PolarHBondContact O-N 3.27Å; D219-K222 PolarHBondContact O-N 2.94Å; D219-D223 PolarHBondContact O-N 2.99Å; D219-D223 VanDerWaalsContact O-N 3.15Å; D219-D223 VanDerWaalsContact O-OD1 3.11Å
220	S	84.6	Confident	83.1	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-30	176.3	-54.1	0	0	0	0	113.3	K215 T216 H217 D223 N224 S225	K215-S220 VanDerWaalsContact CD-OG 3.29Å; K215-S220 WeakPolarHBondContact CD-OG 3.25Å; K215-S220 WeakPolarHBondContact CE-OG 3.49Å; T216-S220 PolarHBondContact O-N 2.89Å; T216-S220 VanDerWaalsContact O-N 3.15Å; T216-S220 PolarHBondContact O-OG 3.48Å; H217-S220 WeakPolarHBondContact O-CB 3.44Å; H217-S220 PolarHBondContact O-N 2.89Å; H217-S220 VanDerWaalsContact O-N 3.14Å; S220-D223 WeakPolarHBondContact CA-OD1 3.25Å; S220-N224 PolarHBondContact O-N 3.44Å; S220-S225 WeakPolarHBondContact CA-O 3.38Å; S220-S225 WeakPolarHBondContact CB-O 3.45Å; S220-S225 PolarHBondContact O-N 3.25Å; S220-S225 VanDerWaalsContact O-N 3.13Å
221	I	82.3	Confident	81.8	Confident	58 Å²	58	64.1 Å²	64.1	30%	0.297	32%	0.32	S	S	.	.	H	α-helix	trans	-75.9	-46.3	176.5	-59.6	153.6	0	0	0	109.7	W124 H217 T218 D219 D223 N224	W124-I221 HydrophobicContact CD2-CD1 3.6Å; W124-I221 HydrophobicContact CD2-CG1 3.45Å; W124-I221 VanDerWaalsContact CD2-CG1 3.45Å; W124-I221 HydrophobicContact CE3-CD1 2.98Å; W124-I221 HydrophobicContact CE3-CG1 3.35Å; W124-I221 HydrophobicContact CG-CD1 4.39Å; W124-I221 HydrophobicContact CG-CG1 4.17Å; W124-I221 HydrophobicContact CH2-CB 4.27Å; W124-I221 HydrophobicContact CH2-CD1 3.83Å; W124-I221 HydrophobicContact CH2-CG1 3.6Å; W124-I221 HydrophobicContact CH2-CG2 3.64Å; W124-I221 HydrophobicContact CZ2-CD1 4.38Å; W124-I221 HydrophobicContact CZ2-CG1 3.75Å; W124-I221 HydrophobicContact CZ2-CG2 4.14Å; W124-I221 HydrophobicContact CZ3-CB 4.38Å; W124-I221 HydrophobicContact CZ3-CD1 3.11Å; W124-I221 HydrophobicContact CZ3-CG1 3.42Å; W124-I221 VanDerWaalsContact CZ3-CG1 3.42Å; W124-I221 HydrophobicContact CZ3-CG2 4.03Å; H217-I221 WeakPolarHBondContact O-CD1 3.39Å; H217-I221 VanDerWaalsContact O-CG1 3.25Å; H217-I221 WeakPolarHBondContact O-CG1 3.42Å; H217-I221 PolarHBondContact O-N 3.42Å; H217-I221 VanDerWaalsContact O-N 3.14Å; T218-I221 PolarHBondContact O-N 3.48Å; D219-I221 VanDerWaalsContact C-N 3.26Å; D219-I221 PolarHBondContact O-N 3.27Å; I221-D223 VanDerWaalsContact C-N 3.26Å; I221-D223 PolarHBondContact O-N 2.77Å; I221-N224 PolarHBondContact O-N 3.34Å
222	K	83.2	Confident	80.3	Confident	164 Å²	164	65 Å²	65	71%	0.713	32%	0.324	S	S	*	.	H	α-helix	trans	-60.7	-36.5	-177.5	-72.8	174	-176.4	172.5	0	112.4	T218 D219	T218-K222 WeakPolarHBondContact O-CG 3.39Å; T218-K222 PolarHBondContact O-N 3.19Å; D219-K222 PolarHBondContact O-N 2.94Å
223	D	80.6	Confident	78.7	Confident	45 Å²	45	67 Å²	67	24%	0.241	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5	-178.9	81.7	-20.9	0	0	0	114.2	K215 D219 S220 I221 S225 N229	K215-D223 IonicContact NZ-OD1 3.5Å; K215-D223 PolarHBondContact NZ-OD1 2.8Å; K215-D223 IonicContact NZ-OD2 3.11Å; K215-D223 PolarHBondContact NZ-OD2 2.66Å; D219-D223 PolarHBondContact O-N 2.99Å; D219-D223 VanDerWaalsContact O-N 3.15Å; D219-D223 VanDerWaalsContact O-OD1 3.11Å; S220-D223 WeakPolarHBondContact CA-OD1 3.25Å; I221-D223 VanDerWaalsContact C-N 3.26Å; I221-D223 PolarHBondContact O-N 2.77Å; D223-S225 PolarHBondContact O-N 3.15Å; D223-S225 VanDerWaalsContact O-N 3.08Å; D223-S225 WeakPolarHBondContact OD1-CA 3.4Å; D223-S225 WeakPolarHBondContact OD1-CB 3.13Å; D223-S225 PolarHBondContact OD1-N 3.12Å; D223-S225 VanDerWaalsContact OD1-O 3.05Å; D223-S225 WeakPolarHBondContact OD2-CB 3.41Å; D223-N229 PolarHBondContact OD2-ND2 3.22Å
224	N	73.8	Confident	76.5	Confident	157 Å²	157	74.1 Å²	74.1	84%	0.84	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	32.3	-173.8	-73	-46.6	0	0	0	113.2	S220 I221	S220-N224 PolarHBondContact O-N 3.44Å; I221-N224 PolarHBondContact O-N 3.34Å
225	S	74.9	Confident	75.4	Confident	20 Å²	20	76.4 Å²	76.4	14%	0.14	39%	0.388	C	S	.	.			trans	-134.8	131.8	-177.9	-167.2	0	0	0	0	112.6	K215 S220 D223 F227 R228	K215-S225 PolarHBondContact NZ-O 2.96Å; S220-S225 WeakPolarHBondContact CA-O 3.38Å; S220-S225 WeakPolarHBondContact CB-O 3.45Å; S220-S225 PolarHBondContact O-N 3.25Å; S220-S225 VanDerWaalsContact O-N 3.13Å; D223-S225 PolarHBondContact O-N 3.15Å; D223-S225 VanDerWaalsContact O-N 3.08Å; D223-S225 WeakPolarHBondContact OD1-CA 3.4Å; D223-S225 WeakPolarHBondContact OD1-CB 3.13Å; D223-S225 PolarHBondContact OD1-N 3.12Å; D223-S225 VanDerWaalsContact OD1-O 3.05Å; D223-S225 WeakPolarHBondContact OD2-CB 3.41Å; S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact OG-N 3.25Å; S225-R228 VanDerWaalsContact OG-CB 3.24Å; S225-R228 WeakPolarHBondContact OG-CB 3.32Å; S225-R228 WeakPolarHBondContact OG-CG 3.23Å; S225-R228 PolarHBondContact OG-N 3.01Å
226	S	73.1	Confident	74.4	Confident	59 Å²	59	80.2 Å²	80.2	41%	0.413	41%	0.407	S	S	.	.	S	Bend	trans	-75	-21.7	171.5	-72.6	0	0	0	0	113.6	K134	K134-S226 WeakPolarHBondContact CE-O 3.37Å; K134-S226 PolarHBondContact NZ-O 2.85Å
227	F	72.1	Confident	73.2	Confident	26 Å²	26	83.1 Å²	83.1	11%	0.114	42%	0.42	C	S	.	.	S	Bend	trans	-142.2	-7.2	-164.8	-49.9	-71.6	0	0	0	115.5	I136 R138 I179 S225	I136-F227 HydrophobicContact CD1-CD1 4.15Å; I136-F227 HydrophobicContact CG2-CD1 3.93Å; R138-F227 PolarHBondContact NH2-O 3.44Å; I179-F227 HydrophobicContact CB-CD1 4.49Å; I179-F227 HydrophobicContact CB-CE1 4.22Å; I179-F227 HydrophobicContact CD1-CB 4.1Å; I179-F227 HydrophobicContact CD1-CD1 3.86Å; I179-F227 HydrophobicContact CD1-CD2 3.65Å; I179-F227 HydrophobicContact CD1-CE1 4.14Å; I179-F227 HydrophobicContact CD1-CE2 3.96Å; I179-F227 HydrophobicContact CD1-CG 3.6Å; I179-F227 HydrophobicContact CD1-CZ 4.19Å; I179-F227 HydrophobicContact CG2-CD1 3.67Å; I179-F227 HydrophobicContact CG2-CE1 3.59Å; I179-F227 HydrophobicContact CG2-CG 4.49Å; I179-F227 HydrophobicContact CG2-CZ 4.36Å; S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact OG-N 3.25Å
228	R	67.2	Low	72.1	Confident	179 Å²	179	87.8 Å²	87.8	68%	0.675	44%	0.444	S	S	*	.	S	Bend	trans	-90.4	166.7	175.9	-60.9	-179.6	176.7	-180	-4.3	110.9	K215 S225 T230	K215-R228 WeakPolarHBondContact CE-O 3.14Å; K215-R228 PolarHBondContact NZ-O 2.69Å; S225-R228 VanDerWaalsContact OG-CB 3.24Å; S225-R228 WeakPolarHBondContact OG-CB 3.32Å; S225-R228 WeakPolarHBondContact OG-CG 3.23Å; S225-R228 PolarHBondContact OG-N 3.01Å; R228-T230 VanDerWaalsContact C-N 3.32Å; R228-T230 PolarHBondContact O-N 3.19Å
229	N	62.2	Low	70.9	Confident	132 Å²	132	89.3 Å²	89.3	71%	0.706	45%	0.447	S	S	*	.	S	Bend	trans	55	39.8	172.8	-48.7	-45.5	0	0	0	115.3	D223	D223-N229 PolarHBondContact OD2-ND2 3.22Å
230	T	60.2	Low	69.6	Low	26 Å²	26	91 Å²	91	16%	0.16	45%	0.454	C	S	.	.			trans	-86	152.6	-177.9	39.3	0	0	0	0	112.2	I136 E213 K215 R228 I232	I136-T230 HydrophobicContact CD1-CG2 3.95Å; E213-T230 HydrophobicContact CB-CG2 4.04Å; E213-T230 WeakPolarHBondContact CG-OG1 3.42Å; E213-T230 PolarHBondContact OE1-OG1 2.76Å; E213-T230 VanDerWaalsContact OE2-CB 3.23Å; E213-T230 WeakPolarHBondContact OE2-CB 3.43Å; E213-T230 WeakPolarHBondContact OE2-CG2 3.45Å; E213-T230 PolarHBondContact OE2-OG1 2.95Å; K215-T230 HydrophobicContact CB-CG2 3.96Å; K215-T230 HydrophobicContact CD-CG2 3.78Å; K215-T230 HydrophobicContact CG-CG2 4.05Å; R228-T230 VanDerWaalsContact C-N 3.32Å; R228-T230 PolarHBondContact O-N 3.19Å; T230-I232 PolarHBondContact O-N 3.49Å
231	K	62.2	Low	68.6	Low	164 Å²	164	96.5 Å²	96.5	71%	0.713	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	113	170.2	-68.5	-178.3	-178.3	176	0	108.8	T233	K231-T233 PolarHBondContact O-N 3.16Å
232	I	59.6	Low	67.5	Low	107 Å²	107	99.5 Å²	99.5	55%	0.549	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.1	176.3	-62.1	173	0	0	0	108.6	I211 E213 T230 L234	I211-I232 HydrophobicContact CG2-CG2 4.23Å; E213-I232 HydrophobicContact CG-CG1 4.34Å; T230-I232 PolarHBondContact O-N 3.49Å; I232-L234 HydrophobicContact CG2-CD2 4.45Å; I232-L234 HydrophobicContact CG2-CG 4.45Å
233	T	59.7	Low	66.2	Low	42 Å²	42	94.1 Å²	94.1	26%	0.258	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.2	171.1	-50.7	0	0	0	0	108.6	W135 M212 K231	W135-T233 HydrophobicContact CH2-CG2 4.12Å; M212-T233 PolarHBondContact O-N 3.23Å; K231-T233 PolarHBondContact O-N 3.16Å
234	L	49	Very low	64.9	Low	172 Å²	172	98.5 Å²	98.5	90%	0.901	50%	0.497	S	S	*	.			trans	-76.6	0	172.1	-65.3	172.5	0	0	0	111.2	R201 I232	R201-L234 PolarHBondContact NH2-OXT 3.34Å; I232-L234 HydrophobicContact CG2-CD2 4.45Å; I232-L234 HydrophobicContact CG2-CG 4.45Å

Retrieved 234 of 234 residues in 1270.9 ms (Link to these results)

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