A0A087XUC6_POEFO Loading...

Hydroxyacylglutathione hydrolase, mitochondrial

Thiolesterase that catalyzes the hydrolysis of S-D-lactoyl-glutathione to form glutathione and D-lactic acid.

AlphaFold DB , UniProt , Accession A0A087XUC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	32	Very low	226 Å²	226	136.5 Å²	136.5	100%	1.113	82%	0.815	S	S	*	*				0	102.4	0	-78.1	166	109.5	0	0	107
2	L	32.1	Very low	32	Very low	152 Å²	152	134.8 Å²	134.8	80%	0.796	81%	0.806	S	S	*	*				63.9	126.7	100.3	-79	118.3	0	0	0	110.6
3	I	31.4	Very low	32	Very low	128 Å²	128	135.9 Å²	135.9	66%	0.656	80%	0.804	S	S	*	*			cis	-174.1	144.4	24.4	-102.3	163.8	0	0	0	109.2
4	K	32.3	Very low	31.9	Very low	179 Å²	179	137.9 Å²	137.9	78%	0.778	81%	0.807	S	S	*	*			trans	28.5	127.2	133.8	-50.5	178.5	173.8	178.6	0	120.5
5	S	32.7	Very low	31.7	Very low	96 Å²	96	133.7 Å²	133.7	67%	0.671	81%	0.805	S	S	*	*				75.7	134	76.2	96.2	0	0	0	0	117.4
6	L	33.8	Very low	31.8	Very low	148 Å²	148	131.3 Å²	131.3	78%	0.775	80%	0.803	S	S	*	*			trans	139.8	114.4	141.9	-80.1	143.5	0	0	0	111
7	V	33.2	Very low	32.2	Very low	142 Å²	142	129.9 Å²	129.9	86%	0.861	81%	0.809	S	S	*	*				55.1	129.5	91.8	-174.8	0	0	0	0	111.5
8	G	27.9	Very low	32.3	Very low	61 Å²	61	129.6 Å²	129.6	63%	0.629	81%	0.806	S	S	*	*			cis	166.8	161.5	7.3	0	0	0	0	0	106.6
9	S	32.2	Very low	32.8	Very low	132 Å²	132	127.8 Å²	127.8	92%	0.923	81%	0.805	S	S	*	*			trans	-159.4	124.7	157.5	-99.9	0	0	0	0	110.9
10	A	32.4	Very low	32.7	Very low	102 Å²	102	130.2 Å²	130.2	84%	0.843	81%	0.811	S	S	*	*			trans	-93.2	143	171.4	0	0	0	0	0	109.2
11	C	30.8	Very low	32.8	Very low	136 Å²	136	132.2 Å²	132.2	92%	0.919	81%	0.808	S	S	*	*			trans	-145.2	146.1	152.6	-133.7	0	0	0	0	110.6
12	T	31.8	Very low	32.8	Very low	115 Å²	115	130 Å²	130	71%	0.706	79%	0.792	S	S	*	*			trans	-90.4	152.3	-151	4.2	0	0	0	0	115.6
13	L	31.2	Very low	32.8	Very low	150 Å²	150	127 Å²	127	79%	0.785	79%	0.789	S	S	*	*			trans	60.4	123.2	137.8	-71.7	156.5	0	0	0	120.9
14	I	31.1	Very low	32.7	Very low	164 Å²	164	126.3 Å²	126.3	84%	0.841	80%	0.796	S	S	*	*				177.1	139.1	101	-81.3	158.4	0	0	0	108.1
15	G	29.4	Very low	32.8	Very low	75 Å²	75	123.9 Å²	123.9	77%	0.773	80%	0.796	S	S	*	*			trans	-82.4	174.3	-166.7	0	0	0	0	0	117.3
16	A	33.3	Very low	33	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	80%	0.802	S	S	*	*			trans	-160.1	114.2	145.2	0	0	0	0	0	107.3
17	A	37.6	Very low	33.1	Very low	108 Å²	108	127.1 Å²	127.1	89%	0.893	81%	0.806	S	S	*	*			trans	-74.9	122.4	169.3	0	0	0	0	0	108.6
18	T	35.2	Very low	33.2	Very low	124 Å²	124	129 Å²	129	76%	0.761	80%	0.802	S	S	*	*			trans	-138.5	115	160.6	-30.2	0	0	0	0	108.5	L20	T18-L20 PolarHBondContact O-N 3.47Å
19	A	40.3	Very low	33.6	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	81%	0.808	S	S	*	*			trans	-62.2	128.2	175.5	0	0	0	0	0	110.4
20	L	32.3	Very low	33.7	Very low	175 Å²	175	133.2 Å²	133.2	92%	0.916	81%	0.807	S	S	*	*			trans	-117.8	115.2	152.6	-96.9	106	0	0	0	108.8	T18	T18-L20 PolarHBondContact O-N 3.47Å
21	K	34	Very low	33.7	Very low	172 Å²	172	133.8 Å²	133.8	75%	0.748	80%	0.8	S	S	*	*			trans	-96.5	135	174.4	-122.1	174.5	177.9	-176.9	0	107.4
22	F	33.8	Very low	33.9	Very low	180 Å²	180	131 Å²	131	79%	0.789	79%	0.787	S	S	*	*			trans	73	110.1	162.3	-57.3	-73.1	0	0	0	119.1
23	A	31.2	Very low	34	Very low	88 Å²	88	130.2 Å²	130.2	73%	0.727	79%	0.792	S	S	*	*				-160.6	105.3	103.8	0	0	0	0	0	108.7	V25	A23-V25 VanDerWaalsContact C-N 3.35Å; A23-V25 PolarHBondContact O-N 3.03Å
24	S	31	Very low	34.3	Very low	114 Å²	114	131 Å²	131	80%	0.797	80%	0.796	S	S	*	*			trans	-66.1	97.4	162.5	44.5	0	0	0	0	107.4	E26	S24-E26 PolarHBondContact O-N 3.32Å
25	V	33.4	Very low	34.6	Very low	128 Å²	128	129 Å²	129	78%	0.776	79%	0.786	S	S	*	*			trans	-60.2	123.4	175.2	174.7	0	0	0	0	108.5	A23 V27	A23-V25 VanDerWaalsContact C-N 3.35Å; A23-V25 PolarHBondContact O-N 3.03Å; V25-V27 PolarHBondContact O-N 3.18Å
26	E	37.7	Very low	35.3	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.804	79%	0.786	S	S	*	*			trans	-52.8	101.1	-179.7	-72.3	169.4	122.7	0	0	112.4	S24 K28	S24-E26 PolarHBondContact O-N 3.32Å; E26-K28 PolarHBondContact O-N 2.97Å
27	V	34.3	Very low	36	Very low	140 Å²	140	134 Å²	134	85%	0.848	79%	0.786	S	S	*	*			trans	-91.5	65.2	151.4	-172.4	0	0	0	0	107.3	V25	V25-V27 PolarHBondContact O-N 3.18Å
28	K	36	Very low	37.4	Very low	181 Å²	181	132.1 Å²	132.1	79%	0.787	76%	0.763	S	S	*	*			trans	-134	16	175.3	-91.7	-166.6	177.7	-177.2	0	114.5	E26	E26-K28 PolarHBondContact O-N 2.97Å
29	A	36.9	Very low	39.6	Very low	92 Å²	92	131.8 Å²	131.8	76%	0.76	76%	0.76	S	S	*	*	S	Bend	trans	-113.3	7.9	-177.9	0	0	0	0	0	115.5
30	Q	33.2	Very low	42.1	Very low	190 Å²	190	129.5 Å²	129.5	89%	0.888	73%	0.731	S	S	*	*	S	Bend	trans	-126.2	1.4	179.7	-82.3	-177.4	-19.2	0	0	116.1
31	T	33	Very low	44.9	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	71%	0.711	S	S	*	*	S	Bend	trans	-106.3	1.3	178.3	37.8	0	0	0	0	114.5
32	A	34.5	Very low	47.6	Very low	79 Å²	79	121.1 Å²	121.1	65%	0.653	70%	0.695	S	S	*	*	S	Bend	trans	-98.8	-2.2	-178.1	0	0	0	0	0	115.1
33	A	34.2	Very low	50.5	Low	98 Å²	98	116.4 Å²	116.4	81%	0.81	68%	0.675	S	S	*	*	S	Bend	trans	-103	4.3	179.6	0	0	0	0	0	114.4
34	L	37	Very low	53.6	Low	166 Å²	166	114.9 Å²	114.9	87%	0.869	65%	0.654	S	S	*	*	S	Bend	trans	-104.8	11	175.8	-124.2	88.2	0	0	0	113.4	H36	L34-H36 PolarHBondContact O-N 3.23Å
35	L	38.8	Very low	56.7	Low	122 Å²	122	110.2 Å²	110.2	64%	0.639	62%	0.621	S	S	*	*	S	Bend	trans	-93.2	107.1	-173.2	-71.6	162.7	0	0	0	110.3
36	H	43.5	Very low	59.6	Low	165 Å²	165	111 Å²	111	76%	0.764	62%	0.616	S	S	*	*			trans	79.3	62.3	168.3	-53	91.6	0	0	0	117.7	L34 T38	L34-H36 PolarHBondContact O-N 3.23Å; H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 2.87Å
37	S	48.8	Very low	62.1	Low	111 Å²	111	103.1 Å²	103.1	78%	0.776	58%	0.579	S	S	*	*			trans	-79.8	95	137.7	69	0	0	0	0	106.4	V39	S37-V39 PolarHBondContact O-N 3.36Å
38	T	65.4	Low	64.5	Low	67 Å²	67	100.2 Å²	100.2	41%	0.411	57%	0.57	S	S	.	*			trans	-56.1	116.3	172.7	-16.3	0	0	0	0	107.5	H36 R40 S254	H36-T38 VanDerWaalsContact C-N 3.33Å; H36-T38 PolarHBondContact O-N 2.87Å; T38-R40 PolarHBondContact O-N 3.33Å; T38-R40 VanDerWaalsContact O-N 3.09Å; T38-S254 VanDerWaalsContact CG2-O 3.3Å; T38-S254 WeakPolarHBondContact CG2-O 3.4Å
39	V	83	Confident	67.1	Low	117 Å²	117	93.9 Å²	93.9	71%	0.709	55%	0.545	S	S	*	.			trans	-67.1	113.3	177.6	178	0	0	0	0	107.1	S37 K41	S37-V39 PolarHBondContact O-N 3.36Å; V39-K41 PolarHBondContact O-N 3.21Å
40	R	91.8	Very high	69.9	Low	49 Å²	49	89.9 Å²	89.9	19%	0.185	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-61.2	126.8	174.9	-69.4	-175.9	-67.7	139.3	6.8	108.8	T38 P56 A57 L58 S59 D60 N61	T38-R40 PolarHBondContact O-N 3.33Å; T38-R40 VanDerWaalsContact O-N 3.09Å; R40-P56 HydrophobicContact CB-CB 3.76Å; R40-P56 HydrophobicContact CB-CG 3.81Å; R40-A57 PolarHBondContact NH2-O 3.4Å; R40-L58 PolarHBondContact NH2-O 2.88Å; R40-S59 PolarHBondContact NE-O 3.27Å; R40-S59 VanDerWaalsContact NE-O 3.15Å; R40-S59 PolarHBondContact NH2-O 3.36Å; R40-D60 VanDerWaalsContact NH1-CA 3.34Å; R40-D60 PolarHBondContact NH1-O 3.02Å; R40-D60 VanDerWaalsContact NH2-CA 3.34Å; R40-D60 VanDerWaalsContact NH2-N 3.16Å; R40-N61 PolarHBondContact NH1-O 3.12Å; R40-N61 PolarHBondContact NH2-O 3.03Å
41	K	91.2	Very high	72.9	Confident	112 Å²	112	82.2 Å²	82.2	49%	0.487	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-84.7	147.6	-179.9	-64.9	167.4	-178.7	158.5	0	109.8	V39 P56 D255 G256	V39-K41 PolarHBondContact O-N 3.21Å; K41-P56 WeakPolarHBondContact O-CG 3.42Å; K41-D255 WeakPolarHBondContact CE-O 3.43Å; K41-D255 PolarHBondContact NZ-O 3.43Å; K41-G256 PolarHBondContact N-O 3.04Å
42	S	91.3	Very high	76.1	Confident	59 Å²	59	76.8 Å²	76.8	41%	0.413	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-67.4	150.2	162.9	73.7	0	0	0	0	109.7	L54	S42-L54 WeakPolarHBondContact CA-O 3.29Å; S42-L54 WeakPolarHBondContact CB-O 3.47Å
43	H	95.2	Very high	79.1	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.37	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.3	-179.1	-175.9	70.4	0	0	0	109.7	E53 L54 P258	H43-E53 CarbonylContact O-C 3.54Å; H43-E53 WeakPolarHBondContact O-CA 3.4Å; H43-L54 HydrophobicContact CB-CB 4.37Å; H43-L54 HydrophobicContact CB-CD1 4.48Å; H43-L54 PolarHBondContact N-O 3.4Å; H43-L54 WeakPolarHBondContact O-CD1 3.42Å; H43-L54 PolarHBondContact O-N 3.04Å; H43-P258 HydrophobicContact CB-CG 3.46Å; H43-P258 VanDerWaalsContact CB-CG 3.46Å
44	L	96.4	Very high	82.2	Confident	57 Å²	57	68.5 Å²	68.5	30%	0.298	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.2	178.8	-178.4	68.6	0	0	0	109.2	R51 E53	L44-R51 HydrophobicContact CD1-CB 4.05Å; L44-E53 HydrophobicContact CD1-CB 3.94Å
45	V	95.8	Very high	85.1	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.3	167.7	-175.4	0	0	0	0	107.8	R51 V52 L54 Y219 P261	V45-R51 WeakPolarHBondContact O-CA 3.45Å; V45-V52 PolarHBondContact N-O 3.49Å; V45-V52 PolarHBondContact O-N 3.13Å; V45-L54 HydrophobicContact CG2-CD1 3.85Å; V45-Y219 HydrophobicContact CG2-CE1 4.23Å; V45-P261 HydrophobicContact CG2-CG 4.07Å
46	Q	93	Very high	87.9	Confident	144 Å²	144	56.2 Å²	56.2	67%	0.673	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	124	-177.4	-172.5	162.9	17.3	0	0	111.6	R51	Q46-R51 HydrophobicContact CB-CG 4.46Å; Q46-R51 HydrophobicContact CG-CG 4.08Å
47	Q	90.1	Very high	90.5	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.037	27%	0.271	C	S	.	.			trans	-120.8	160.1	163.9	-42.9	-179.8	-130.8	0	0	107.4	N49 M50 E175 P176	Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.01Å; Q47-M50 CarbonylContact C-O 3.56Å; Q47-M50 WeakPolarHBondContact CA-O 3.17Å; Q47-M50 WeakPolarHBondContact CB-O 3.29Å; Q47-M50 WeakPolarHBondContact CG-O 3.4Å; Q47-M50 PolarHBondContact N-O 3.22Å; Q47-E175 WeakPolarHBondContact CA-OE1 3.35Å; Q47-E175 VanDerWaalsContact CB-CD 3.48Å; Q47-E175 VanDerWaalsContact CB-OE1 3.27Å; Q47-E175 WeakPolarHBondContact CB-OE1 3.19Å; Q47-E175 VanDerWaalsContact CB-OE2 3.28Å; Q47-E175 WeakPolarHBondContact CB-OE2 3.32Å; Q47-P176 PolarHBondContact NE2-O 3.34Å
48	A	86.2	Confident	92.8	Very high	78 Å²	78	46.1 Å²	46.1	65%	0.645	25%	0.25	S	S	*	.	S	Bend	trans	-60.6	-37.6	179.8	0	0	0	0	0	112.6	E175	A48-E175 WeakPolarHBondContact CB-OE1 3.12Å; A48-E175 PolarHBondContact N-OE1 3.36Å; A48-E175 PolarHBondContact N-OE2 2.8Å
49	N	90.3	Very high	94.3	Very high	49 Å²	49	47.2 Å²	47.2	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	-101.6	-22.9	-175.8	-55.7	-77.6	0	0	0	113.4	Q47 E69 K170 S173 E175	Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.01Å; N49-E69 PolarHBondContact O-N 3.48Å; N49-K170 HydrophobicContact CB-CB 4.31Å; N49-K170 HydrophobicContact CB-CG 3.93Å; N49-S173 PolarHBondContact ND2-OG 3.01Å; N49-E175 PolarHBondContact N-OE2 3.38Å; N49-E175 PolarHBondContact ND2-OE2 3.27Å
50	M	94.8	Very high	95	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.6	-171.1	-178.9	175.8	69.1	0	0	110	Q47 V52 L66 I67 L149 V168 A178	Q47-M50 CarbonylContact C-O 3.56Å; Q47-M50 WeakPolarHBondContact CA-O 3.17Å; Q47-M50 WeakPolarHBondContact CB-O 3.29Å; Q47-M50 WeakPolarHBondContact CG-O 3.4Å; Q47-M50 PolarHBondContact N-O 3.22Å; M50-V52 HydrophobicContact CG-CG2 4.44Å; M50-L66 HydrophobicContact CG-CD1 3.45Å; M50-L66 VanDerWaalsContact CG-CD1 3.45Å; M50-L66 HydrophobicContact SD-CD1 3.38Å; M50-L66 WeakPolarHBondContact SD-CD1 3.33Å; M50-I67 WeakPolarHBondContact CA-O 3.41Å; M50-L149 HydrophobicContact CB-CD1 4.42Å; M50-L149 HydrophobicContact CB-CD2 4.27Å; M50-L149 HydrophobicContact CG-CD1 4Å; M50-L149 HydrophobicContact SD-CD1 4.13Å; M50-V168 HydrophobicContact SD-CB 4.34Å; M50-V168 HydrophobicContact SD-CG1 3.74Å; M50-A178 HydrophobicContact CE-CB 3.59Å; M50-A178 HydrophobicContact SD-CB 4.41Å
51	R	97.4	Very high	95.3	Very high	29 Å²	29	41.4 Å²	41.4	11%	0.109	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.2	168	-67.3	-167	-69.8	143.3	5.3	110.4	L44 V45 Q46 I67 E69 H92	L44-R51 HydrophobicContact CD1-CB 4.05Å; V45-R51 WeakPolarHBondContact O-CA 3.45Å; Q46-R51 HydrophobicContact CB-CG 4.46Å; Q46-R51 HydrophobicContact CG-CG 4.08Å; R51-I67 HydrophobicContact CB-CB 4.25Å; R51-I67 PolarHBondContact N-O 3.22Å; R51-I67 PolarHBondContact O-N 3.02Å; R51-E69 HydrophobicContact CG-CG 4.13Å; R51-E69 IonicContact CZ-OE1 2.78Å; R51-E69 VanDerWaalsContact CZ-OE1 3.24Å; R51-E69 IonicContact NE-OE1 3.6Å; R51-E69 PolarHBondContact NE-OE1 3.48Å; R51-E69 IonicContact NE-OE2 3.53Å; R51-E69 IonicContact NH2-OE1 3.72Å; R51-E69 PolarHBondContact NH2-OE1 2.99Å; R51-H92 PolarHBondContact NH1-CE1 2.65Å; R51-H92 PolarHBondContact NH1-ND1 2.83Å
52	V	98.6	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.6	174.3	-174.3	0	0	0	0	108.4	V45 M50 Y64 L65 L66 F180 Y219	V45-V52 PolarHBondContact N-O 3.49Å; V45-V52 PolarHBondContact O-N 3.13Å; M50-V52 HydrophobicContact CG-CG2 4.44Å; V52-Y64 HydrophobicContact CG1-CD1 3.92Å; V52-Y64 HydrophobicContact CG1-CG 4.44Å; V52-L65 WeakPolarHBondContact CA-O 3.44Å; V52-L66 HydrophobicContact CG2-CD1 4.03Å; V52-F180 HydrophobicContact CG1-CE1 4Å; V52-F180 HydrophobicContact CG1-CZ 4.18Å; V52-F180 HydrophobicContact CG2-CZ 4.24Å; V52-Y219 HydrophobicContact CB-CE1 4.01Å; V52-Y219 HydrophobicContact CG1-CD1 3.99Å; V52-Y219 HydrophobicContact CG1-CE1 3.67Å; V52-Y219 HydrophobicContact CG2-CE1 4.48Å; V52-Y219 HydrophobicContact CG2-CE2 4.35Å
53	E	98.6	Very high	96.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	169.7	-169.1	175.4	-149.6	0	0	110	H43 L44 L55 Y64 L65 K91 H92	H43-E53 CarbonylContact O-C 3.54Å; H43-E53 WeakPolarHBondContact O-CA 3.4Å; L44-E53 HydrophobicContact CD1-CB 3.94Å; E53-L55 HydrophobicContact CG-CD2 3.82Å; E53-Y64 WeakPolarHBondContact O-CA 3.12Å; E53-L65 HydrophobicContact CB-CB 4.26Å; E53-L65 PolarHBondContact N-O 3.04Å; E53-L65 PolarHBondContact O-N 2.86Å; E53-K91 IonicContact OE1-NZ 2.96Å; E53-K91 PolarHBondContact OE1-NZ 3.33Å; E53-H92 VanDerWaalsContact CD-NE2 3.25Å; E53-H92 IonicContact OE1-NE2 2.75Å; E53-H92 IonicContact OE2-CD2 2.75Å; E53-H92 PolarHBondContact OE2-CD2 2.92Å; E53-H92 IonicContact OE2-CE1 2.71Å; E53-H92 IonicContact OE2-NE2 3.88Å; E53-H92 PolarHBondContact OE2-NE2 3.44Å
54	L	98.6	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122	170.8	-70	78.5	0	0	0	108.9	S42 H43 V45 Y62 Y64 Y219 P258 I260	S42-L54 WeakPolarHBondContact CA-O 3.29Å; S42-L54 WeakPolarHBondContact CB-O 3.47Å; H43-L54 HydrophobicContact CB-CB 4.37Å; H43-L54 HydrophobicContact CB-CD1 4.48Å; H43-L54 PolarHBondContact N-O 3.4Å; H43-L54 WeakPolarHBondContact O-CD1 3.42Å; H43-L54 PolarHBondContact O-N 3.04Å; V45-L54 HydrophobicContact CG2-CD1 3.85Å; L54-Y62 HydrophobicContact CB-CD1 4.23Å; L54-Y62 HydrophobicContact CD2-CD1 4.49Å; L54-Y64 HydrophobicContact CD2-CE1 4Å; L54-Y64 HydrophobicContact CG-CD1 3.91Å; L54-Y64 HydrophobicContact CG-CE1 3.65Å; L54-Y219 HydrophobicContact CD1-CD1 4.45Å; L54-Y219 HydrophobicContact CD1-CE1 4.11Å; L54-P258 HydrophobicContact CD2-CB 3.87Å; L54-P258 HydrophobicContact CD2-CG 4.02Å; L54-I260 HydrophobicContact CD2-CB 3.76Å; L54-I260 HydrophobicContact CD2-CG2 3.85Å; L54-I260 WeakPolarHBondContact CD2-O 3.2Å
55	L	98.5	Very high	96.3	Very high	13 Å²	13	27 Å²	27	7%	0.068	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.5	179.3	-57.4	178.1	0	0	0	109	E53 A57 M63 L65 I76 A88	E53-L55 HydrophobicContact CG-CD2 3.82Å; L55-A57 PolarHBondContact O-N 2.91Å; L55-M63 HydrophobicContact CB-CB 4.22Å; L55-M63 HydrophobicContact CB-CE 3.92Å; L55-M63 HydrophobicContact CD1-CE 4.34Å; L55-M63 PolarHBondContact N-O 3.25Å; L55-M63 PolarHBondContact O-N 2.97Å; L55-L65 HydrophobicContact CD1-CB 4.31Å; L55-I76 HydrophobicContact CD1-CD1 4.16Å; L55-A88 HydrophobicContact CD1-CB 3.84Å; L55-A88 HydrophobicContact CD2-CB 3.9Å
56	P	98.1	Very high	96.5	Very high	16 Å²	16	26.2 Å²	26.2	10%	0.104	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	128.3	174.9	-19.4	28.5	0	0	0	111	R40 K41 Y62 K84	R40-P56 HydrophobicContact CB-CB 3.76Å; R40-P56 HydrophobicContact CB-CG 3.81Å; K41-P56 WeakPolarHBondContact O-CG 3.42Å; P56-Y62 HydrophobicContact CB-CE1 4.27Å; P56-Y62 HydrophobicContact CG-CD1 4.4Å; P56-Y62 HydrophobicContact CG-CE1 3.98Å; P56-K84 PolarHBondContact O-NZ 2.94Å
57	A	97.9	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.9	175.9	0	0	0	0	0	111.2	R40 L55 N61 M63 V80 E81	R40-A57 PolarHBondContact NH2-O 3.4Å; L55-A57 PolarHBondContact O-N 2.91Å; A57-N61 HydrophobicContact CB-CB 4.32Å; A57-N61 PolarHBondContact N-O 3.26Å; A57-N61 PolarHBondContact O-N 3.01Å; A57-N61 VanDerWaalsContact O-N 3.15Å; A57-N61 VanDerWaalsContact O-O 3.11Å; A57-M63 HydrophobicContact CB-CE 4.1Å; A57-M63 HydrophobicContact CB-CG 3.84Å; A57-M63 HydrophobicContact CB-SD 4.02Å; A57-V80 HydrophobicContact CB-CG1 3.69Å; A57-E81 WeakPolarHBondContact CA-OE2 3.42Å; A57-E81 HydrophobicContact CB-CB 4.49Å; A57-E81 HydrophobicContact CB-CG 4.23Å; A57-E81 WeakPolarHBondContact CB-OE2 3.36Å
58	L	97.5	Very high	97.2	Very high	65 Å²	65	19 Å²	19	34%	0.34	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-141.7	179.5	-53.6	179.6	0	0	0	112	R40 V80 W106 D107	R40-L58 PolarHBondContact NH2-O 2.88Å; L58-V80 HydrophobicContact CD1-CG1 4.16Å; L58-V80 HydrophobicContact CD1-CG2 4.11Å; L58-V80 HydrophobicContact CG-CG1 4.12Å; L58-W106 HydrophobicContact CD1-CZ3 3.84Å; L58-W106 HydrophobicContact CD2-CH2 4.24Å; L58-W106 HydrophobicContact CD2-CZ3 4.31Å; L58-D107 HydrophobicContact CD1-CB 3.68Å
59	S	96.3	Very high	97.7	Very high	90 Å²	90	17.1 Å²	17.1	63%	0.629	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-47.7	177.6	50.7	0	0	0	0	112.6	R40	R40-S59 PolarHBondContact NE-O 3.27Å; R40-S59 VanDerWaalsContact NE-O 3.15Å; R40-S59 PolarHBondContact NH2-O 3.36Å
60	D	97.6	Very high	97.9	Very high	38 Å²	38	21.4 Å²	21.4	20%	0.203	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-2.8	-168.3	47.5	51.2	0	0	0	114.5	R40 H222 E223 Y224	R40-D60 VanDerWaalsContact NH1-CA 3.34Å; R40-D60 PolarHBondContact NH1-O 3.02Å; R40-D60 VanDerWaalsContact NH2-CA 3.34Å; R40-D60 VanDerWaalsContact NH2-N 3.16Å; D60-H222 CarbonylContact O-C 3.57Å; D60-H222 WeakPolarHBondContact O-CA 3.31Å; D60-H222 IonicContact OD1-CE1 2.65Å; D60-H222 IonicContact OD1-CG 3.72Å; D60-H222 IonicContact OD1-ND1 3.53Å; D60-H222 PolarHBondContact OD1-ND1 3.17Å; D60-E223 HydrophobicContact CB-CB 4.34Å; D60-E223 PolarHBondContact O-N 3.19Å; D60-Y224 HydrophobicContact CB-CE1 4.32Å
61	N	98.6	Very high	98.1	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	154.5	175.6	-62.7	74	0	0	0	112.4	R40 A57 D107 G221 H222	R40-N61 PolarHBondContact NH1-O 3.12Å; R40-N61 PolarHBondContact NH2-O 3.03Å; A57-N61 HydrophobicContact CB-CB 4.32Å; A57-N61 PolarHBondContact N-O 3.26Å; A57-N61 PolarHBondContact O-N 3.01Å; A57-N61 VanDerWaalsContact O-N 3.15Å; A57-N61 VanDerWaalsContact O-O 3.11Å; N61-D107 PolarHBondContact ND2-O 3.47Å; N61-D107 PolarHBondContact ND2-OD2 3.36Å; N61-G221 CarbonylContact C-O 3.58Å; N61-G221 VanDerWaalsContact CA-O 3.31Å; N61-G221 WeakPolarHBondContact CA-O 3.36Å; N61-H222 VanDerWaalsContact CG-CE1 3.44Å; N61-H222 PolarHBondContact ND2-CE1 3.26Å
62	Y	98.8	Very high	98.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.5	165.1	-72.9	-72.4	0	0	0	110.9	L54 P56 Y64 G221 E223 P258 I260	L54-Y62 HydrophobicContact CB-CD1 4.23Å; L54-Y62 HydrophobicContact CD2-CD1 4.49Å; P56-Y62 HydrophobicContact CB-CE1 4.27Å; P56-Y62 HydrophobicContact CG-CD1 4.4Å; P56-Y62 HydrophobicContact CG-CE1 3.98Å; Y62-Y64 WeakPolarHBondContact CB-OH 3.28Å; Y62-Y64 WeakPolarHBondContact O-CE2 3.39Å; Y62-G221 PolarHBondContact N-O 3.5Å; Y62-E223 HydrophobicContact CE2-CB 3.66Å; Y62-E223 HydrophobicContact CE2-CG 4.24Å; Y62-E223 WeakPolarHBondContact CE2-OE2 3.4Å; Y62-E223 PolarHBondContact OH-OE2 2.66Å; Y62-P258 HydrophobicContact CE1-CB 4.03Å; Y62-P258 HydrophobicContact CE2-CB 4.45Å; Y62-P258 WeakPolarHBondContact OH-CA 3.42Å; Y62-P258 VanDerWaalsContact OH-CB 3.25Å; Y62-P258 WeakPolarHBondContact OH-CB 3.47Å; Y62-I260 HydrophobicContact CD2-CD1 3.43Å; Y62-I260 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I260 HydrophobicContact CE2-CD1 3.64Å; Y62-I260 HydrophobicContact CE2-CG1 4.4Å; Y62-I260 HydrophobicContact CG-CD1 4.39Å
63	M	98.9	Very high	98.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	153.9	163.6	-38.6	179.2	-70.9	0	0	108.2	L55 A57 I76 V77 D78 P79 V80 E81 K84 V85	L55-M63 HydrophobicContact CB-CB 4.22Å; L55-M63 HydrophobicContact CB-CE 3.92Å; L55-M63 HydrophobicContact CD1-CE 4.34Å; L55-M63 PolarHBondContact N-O 3.25Å; L55-M63 PolarHBondContact O-N 2.97Å; A57-M63 HydrophobicContact CB-CE 4.1Å; A57-M63 HydrophobicContact CB-CG 3.84Å; A57-M63 HydrophobicContact CB-SD 4.02Å; M63-I76 HydrophobicContact CB-CD1 4.11Å; M63-V77 WeakPolarHBondContact CA-O 3.22Å; M63-V77 WeakPolarHBondContact CB-O 3.34Å; M63-D78 WeakPolarHBondContact CG-O 3.42Å; M63-P79 VanDerWaalsContact SD-C 3.58Å; M63-V80 HydrophobicContact CG-CG1 4.4Å; M63-V80 HydrophobicContact SD-CG1 4.13Å; M63-V80 PolarHBondContact SD-N 3.28Å; M63-V80 VanDerWaalsContact SD-N 3.43Å; M63-E81 HydrophobicContact CE-CB 4.04Å; M63-E81 HydrophobicContact SD-CB 4.21Å; M63-E81 PolarHBondContact SD-N 2.81Å; M63-E81 VanDerWaalsContact SD-N 3.36Å; M63-K84 HydrophobicContact CE-CB 4.07Å; M63-K84 HydrophobicContact CE-CD 4.46Å; M63-V85 HydrophobicContact CE-CG2 3.88Å; M63-V85 HydrophobicContact SD-CG2 4.06Å
64	Y	98.9	Very high	98.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.2	-176.3	-56.8	-84.5	0	0	0	112.1	V52 E53 L54 Y62 L66 I76 V77 F180 Y219 C220 I260	V52-Y64 HydrophobicContact CG1-CD1 3.92Å; V52-Y64 HydrophobicContact CG1-CG 4.44Å; E53-Y64 WeakPolarHBondContact O-CA 3.12Å; L54-Y64 HydrophobicContact CD2-CE1 4Å; L54-Y64 HydrophobicContact CG-CD1 3.91Å; L54-Y64 HydrophobicContact CG-CE1 3.65Å; Y62-Y64 WeakPolarHBondContact CB-OH 3.28Å; Y62-Y64 WeakPolarHBondContact O-CE2 3.39Å; Y64-L66 PolarHBondContact O-N 2.96Å; Y64-I76 WeakPolarHBondContact O-CA 3.23Å; Y64-I76 WeakPolarHBondContact O-CD1 3.36Å; Y64-V77 HydrophobicContact CD2-CB 4.13Å; Y64-V77 HydrophobicContact CD2-CG1 4.34Å; Y64-V77 PolarHBondContact N-O 2.86Å; Y64-V77 PolarHBondContact O-N 3.39Å; Y64-F180 VanDerWaalsContact CB-CE1 3.45Å; Y64-F180 HydrophobicContact CD1-CD1 4.49Å; Y64-F180 HydrophobicContact CD1-CE1 4.14Å; Y64-F180 AromaticContact CD2-CD1 3.77Å; Y64-F180 HydrophobicContact CD2-CD1 3.77Å; Y64-F180 HydrophobicContact CD2-CE1 4.12Å; Y64-F180 HydrophobicContact CE2-CD1 4.45Å; Y64-F180 AromaticContact CG-CD1 3.8Å; Y64-F180 HydrophobicContact CG-CD1 3.8Å; Y64-F180 AromaticContact CG-CE1 3.64Å; Y64-F180 HydrophobicContact CG-CE1 3.64Å; Y64-Y219 AromaticContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CG 4.28Å; Y64-Y219 AromaticContact CE1-CD1 3.56Å; Y64-Y219 HydrophobicContact CE1-CD1 3.56Å; Y64-Y219 HydrophobicContact CE1-CG 4.1Å; Y64-C220 PolarHBondContact OH-N 3.32Å; Y64-C220 PolarHBondContact OH-O 2.93Å; Y64-I260 HydrophobicContact CE1-CG2 4.19Å; Y64-I260 WeakPolarHBondContact OH-CD1 3.28Å
65	L	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	100.6	169.2	-177.2	66	0	0	0	108.5	V52 E53 L55 I67 A74 I76 A88 V89 V94 L96	V52-L65 WeakPolarHBondContact CA-O 3.44Å; E53-L65 HydrophobicContact CB-CB 4.26Å; E53-L65 PolarHBondContact N-O 3.04Å; E53-L65 PolarHBondContact O-N 2.86Å; L55-L65 HydrophobicContact CD1-CB 4.31Å; L65-I67 HydrophobicContact CD2-CD1 4.11Å; L65-I67 HydrophobicContact CD2-CG1 4.37Å; L65-I67 HydrophobicContact CG-CD1 4.25Å; L65-I67 HydrophobicContact CG-CG1 4.02Å; L65-A74 HydrophobicContact CD1-CB 3.94Å; L65-I76 HydrophobicContact CB-CD1 4.33Å; L65-A88 HydrophobicContact CD2-CB 3.89Å; L65-V89 HydrophobicContact CD1-CG2 3.87Å; L65-V89 HydrophobicContact CD2-CG2 4.39Å; L65-V94 HydrophobicContact CD2-CG2 4.42Å; L65-L96 HydrophobicContact CD1-CD1 4.02Å
66	L	98.8	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.1	175.9	169.9	64.7	0	0	0	109.3	M50 V52 Y64 A74 A75 L146 L149 V168 F180	M50-L66 HydrophobicContact CG-CD1 3.45Å; M50-L66 VanDerWaalsContact CG-CD1 3.45Å; M50-L66 HydrophobicContact SD-CD1 3.38Å; M50-L66 WeakPolarHBondContact SD-CD1 3.33Å; V52-L66 HydrophobicContact CG2-CD1 4.03Å; Y64-L66 PolarHBondContact O-N 2.96Å; L66-A74 CarbonylContact O-C 3.54Å; L66-A74 WeakPolarHBondContact O-CA 3.46Å; L66-A74 WeakPolarHBondContact O-CB 3.3Å; L66-A75 HydrophobicContact CB-CB 4.46Å; L66-A75 HydrophobicContact CD2-CB 4.47Å; L66-A75 PolarHBondContact N-O 3.21Å; L66-A75 PolarHBondContact O-N 2.98Å; L66-L146 HydrophobicContact CD2-CD2 3.63Å; L66-L146 HydrophobicContact CG-CD2 3.82Å; L66-L149 HydrophobicContact CD1-CD1 4.13Å; L66-L149 HydrophobicContact CG-CD1 4.4Å; L66-V168 HydrophobicContact CD1-CG1 4.5Å; L66-V168 HydrophobicContact CD2-CG1 4.11Å; L66-V168 HydrophobicContact CD2-CG2 3.91Å; L66-F180 HydrophobicContact CB-CZ 4.21Å; L66-F180 HydrophobicContact CD1-CE2 4.45Å; L66-F180 HydrophobicContact CD1-CZ 4.27Å; L66-F180 HydrophobicContact CD2-CE2 3.97Å; L66-F180 HydrophobicContact CD2-CZ 4.38Å
67	I	98.8	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.4	-175.5	-58.2	169.3	0	0	0	109.2	M50 R51 L65 E69 A74 H92 V94	M50-I67 WeakPolarHBondContact CA-O 3.41Å; R51-I67 HydrophobicContact CB-CB 4.25Å; R51-I67 PolarHBondContact N-O 3.22Å; R51-I67 PolarHBondContact O-N 3.02Å; L65-I67 HydrophobicContact CD2-CD1 4.11Å; L65-I67 HydrophobicContact CD2-CG1 4.37Å; L65-I67 HydrophobicContact CG-CD1 4.25Å; L65-I67 HydrophobicContact CG-CG1 4.02Å; I67-E69 WeakPolarHBondContact CG2-OE1 3.23Å; I67-A74 HydrophobicContact CG1-CB 4.25Å; I67-H92 HydrophobicContact CD1-CB 3.96Å; I67-V94 HydrophobicContact CD1-CG1 4.11Å; I67-V94 HydrophobicContact CG1-CG1 4.19Å; I67-V94 HydrophobicContact CG1-CG2 4.47Å; I67-V94 HydrophobicContact CG2-CG1 3.66Å
68	D	98.4	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.5	163.6	174.6	31.4	0	0	0	109.5	E70 S71 K72 E73 S148 L149	D68-E70 VanDerWaalsContact C-N 3.27Å; D68-E70 PolarHBondContact O-N 3.22Å; D68-E70 PolarHBondContact OD1-N 2.85Å; D68-S71 WeakPolarHBondContact OD2-CB 3.36Å; D68-S71 PolarHBondContact OD2-N 3.36Å; D68-S71 VanDerWaalsContact OD2-N 3.14Å; D68-S71 PolarHBondContact OD2-OG 3.15Å; D68-K72 VanDerWaalsContact O-CA 3.26Å; D68-K72 WeakPolarHBondContact O-CA 3.33Å; D68-K72 PolarHBondContact O-N 3.43Å; D68-E73 PolarHBondContact N-O 2.9Å; D68-S148 VanDerWaalsContact CG-OG 3.24Å; D68-S148 PolarHBondContact OD1-OG 3.22Å; D68-S148 WeakPolarHBondContact OD2-CB 3.22Å; D68-S148 PolarHBondContact OD2-N 3.05Å; D68-S148 PolarHBondContact OD2-OG 3.38Å; D68-L149 HydrophobicContact CB-CD1 3.85Å; D68-L149 HydrophobicContact CB-CG 3.87Å
69	E	96.4	Very high	98.3	Very high	39 Å²	39	24.5 Å²	24.5	18%	0.182	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.2	-175.9	-79.1	-57.3	118.8	0	0	113.4	N49 R51 I67 K72	N49-E69 PolarHBondContact O-N 3.48Å; R51-E69 HydrophobicContact CG-CG 4.13Å; R51-E69 IonicContact CZ-OE1 2.78Å; R51-E69 VanDerWaalsContact CZ-OE1 3.24Å; R51-E69 IonicContact NE-OE1 3.6Å; R51-E69 PolarHBondContact NE-OE1 3.48Å; R51-E69 IonicContact NE-OE2 3.53Å; R51-E69 IonicContact NH2-OE1 3.72Å; R51-E69 PolarHBondContact NH2-OE1 2.99Å; I67-E69 WeakPolarHBondContact CG2-OE1 3.23Å; E69-K72 WeakPolarHBondContact O-CE 3.25Å; E69-K72 PolarHBondContact O-NZ 2.87Å; E69-K72 IonicContact OE2-NZ 3.35Å; E69-K72 PolarHBondContact OE2-NZ 3.23Å
70	E	96.1	Very high	98.4	Very high	139 Å²	139	20.8 Å²	20.8	65%	0.65	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-53.7	-177.2	-171.5	179.5	152.5	0	0	111.7	D68 K170	D68-E70 VanDerWaalsContact C-N 3.27Å; D68-E70 PolarHBondContact O-N 3.22Å; D68-E70 PolarHBondContact OD1-N 2.85Å; E70-K170 IonicContact OE2-NZ 2.74Å; E70-K170 PolarHBondContact OE2-NZ 3.29Å
71	S	97.6	Very high	98.5	Very high	52 Å²	52	21.9 Å²	21.9	36%	0.364	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.2	-177.7	70.2	0	0	0	0	114.5	D68 E73 G147	D68-S71 WeakPolarHBondContact OD2-CB 3.36Å; D68-S71 PolarHBondContact OD2-N 3.36Å; D68-S71 VanDerWaalsContact OD2-N 3.14Å; D68-S71 PolarHBondContact OD2-OG 3.15Å; S71-E73 PolarHBondContact O-N 3.47Å; S71-E73 WeakPolarHBondContact OG-CB 3.26Å; S71-E73 PolarHBondContact OG-N 2.79Å; S71-G147 WeakPolarHBondContact OG-CA 3.4Å
72	K	98.1	Very high	98.5	Very high	88 Å²	88	21.9 Å²	21.9	38%	0.383	11%	0.108	S	C	.	.			trans	58.2	15.9	-166.1	-53.9	-54.4	-170.6	-151	0	114.2	D68 E69 V94 K95	D68-K72 VanDerWaalsContact O-CA 3.26Å; D68-K72 WeakPolarHBondContact O-CA 3.33Å; D68-K72 PolarHBondContact O-N 3.43Å; E69-K72 WeakPolarHBondContact O-CE 3.25Å; E69-K72 PolarHBondContact O-NZ 2.87Å; E69-K72 IonicContact OE2-NZ 3.35Å; E69-K72 PolarHBondContact OE2-NZ 3.23Å; K72-V94 WeakPolarHBondContact O-CB 3.25Å; K72-K95 PolarHBondContact O-N 3.4Å
73	E	98.7	Very high	98.4	Very high	54 Å²	54	25.6 Å²	25.6	25%	0.252	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148	164.2	-65.7	-164.3	173.3	0	0	110.6	D68 S71 K95 T97 L146 G147	D68-E73 PolarHBondContact N-O 2.9Å; S71-E73 PolarHBondContact O-N 3.47Å; S71-E73 WeakPolarHBondContact OG-CB 3.26Å; S71-E73 PolarHBondContact OG-N 2.79Å; E73-K95 CarbonylContact C-O 3.24Å; E73-K95 WeakPolarHBondContact CA-O 3.28Å; E73-T97 HydrophobicContact CB-CG2 4.4Å; E73-T97 HydrophobicContact CG-CG2 4.12Å; E73-L146 HydrophobicContact CB-CD1 4.2Å; E73-G147 PolarHBondContact OE2-N 3.11Å
74	A	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152	179.8	0	0	0	0	0	112.1	L65 L66 I67 V94 K95 L96 T97	L65-A74 HydrophobicContact CD1-CB 3.94Å; L66-A74 CarbonylContact O-C 3.54Å; L66-A74 WeakPolarHBondContact O-CA 3.46Å; L66-A74 WeakPolarHBondContact O-CB 3.3Å; I67-A74 HydrophobicContact CG1-CB 4.25Å; A74-V94 HydrophobicContact CB-CB 4.11Å; A74-V94 HydrophobicContact CB-CG2 3.8Å; A74-K95 PolarHBondContact N-O 3.16Å; A74-L96 HydrophobicContact CB-CD1 4.27Å; A74-T97 PolarHBondContact O-N 3.03Å
75	A	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.9	166.3	0	0	0	0	0	110.1	L66 T98 L100 L146	L66-A75 HydrophobicContact CB-CB 4.46Å; L66-A75 HydrophobicContact CD2-CB 4.47Å; L66-A75 PolarHBondContact N-O 3.21Å; L66-A75 PolarHBondContact O-N 2.98Å; A75-T98 CarbonylContact C-O 3.52Å; A75-T98 WeakPolarHBondContact CA-O 3.2Å; A75-T98 HydrophobicContact CB-CG2 4.19Å; A75-L100 HydrophobicContact CB-CD1 4.14Å; A75-L100 HydrophobicContact CB-CG 4.16Å; A75-L146 HydrophobicContact CB-CD1 4.08Å; A75-L146 HydrophobicContact CB-CD2 3.56Å; A75-L146 HydrophobicContact CB-CG 4.44Å
76	I	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.8	168.8	-174.8	63.8	0	0	0	109.2	L55 M63 Y64 L65 P79 V85 L96 T98 V99 L100	L55-I76 HydrophobicContact CD1-CD1 4.16Å; M63-I76 HydrophobicContact CB-CD1 4.11Å; Y64-I76 WeakPolarHBondContact O-CA 3.23Å; Y64-I76 WeakPolarHBondContact O-CD1 3.36Å; L65-I76 HydrophobicContact CB-CD1 4.33Å; I76-P79 HydrophobicContact CB-CB 4.48Å; I76-P79 HydrophobicContact CG1-CB 3.69Å; I76-P79 HydrophobicContact CG2-CB 3.92Å; I76-P79 HydrophobicContact CG2-CG 4.21Å; I76-V85 HydrophobicContact CB-CG1 3.9Å; I76-V85 HydrophobicContact CD1-CG1 3.94Å; I76-V85 HydrophobicContact CD1-CG2 3.88Å; I76-V85 HydrophobicContact CG1-CB 4.35Å; I76-V85 HydrophobicContact CG1-CG1 3.62Å; I76-V85 HydrophobicContact CG1-CG2 3.75Å; I76-V85 HydrophobicContact CG2-CG1 4.17Å; I76-L96 HydrophobicContact CB-CD1 3.96Å; I76-L96 HydrophobicContact CG2-CD1 4.03Å; I76-L96 HydrophobicContact CG2-CD2 4.06Å; I76-T98 PolarHBondContact N-O 2.9Å; I76-V99 HydrophobicContact CG2-CB 4.36Å; I76-V99 HydrophobicContact CG2-CG1 4.47Å; I76-V99 HydrophobicContact CG2-CG2 3.79Å; I76-V99 CarbonylContact O-C 3.59Å; I76-V99 WeakPolarHBondContact O-CA 3.36Å; I76-L100 PolarHBondContact O-N 3.33Å
77	V	98.9	Very high	98.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.1	174	-171.9	0	0	0	0	109.3	M63 Y64 L100 T102 F180	M63-V77 WeakPolarHBondContact CA-O 3.22Å; M63-V77 WeakPolarHBondContact CB-O 3.34Å; Y64-V77 HydrophobicContact CD2-CB 4.13Å; Y64-V77 HydrophobicContact CD2-CG1 4.34Å; Y64-V77 PolarHBondContact N-O 2.86Å; Y64-V77 PolarHBondContact O-N 3.39Å; V77-L100 VanDerWaalsContact CA-O 3.28Å; V77-L100 WeakPolarHBondContact CA-O 3.23Å; V77-L100 HydrophobicContact CG2-CB 4.16Å; V77-L100 HydrophobicContact CG2-CD1 4.19Å; V77-T102 HydrophobicContact CG1-CG2 4.08Å; V77-F180 HydrophobicContact CB-CD1 4.35Å; V77-F180 HydrophobicContact CG1-CB 4.11Å; V77-F180 HydrophobicContact CG1-CD1 4.37Å; V77-F180 HydrophobicContact CG1-CG 4.35Å; V77-F180 HydrophobicContact CG2-CB 4.39Å; V77-F180 HydrophobicContact CG2-CD1 3.75Å; V77-F180 HydrophobicContact CG2-CD2 4.14Å; V77-F180 HydrophobicContact CG2-CE1 4.04Å; V77-F180 HydrophobicContact CG2-CE2 4.4Å; V77-F180 HydrophobicContact CG2-CG 3.81Å; V77-F180 HydrophobicContact CG2-CZ 4.35Å
78	D	98.9	Very high	98.4	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	50.7	61.4	173.4	-62.6	-18.2	0	0	0	114.8	M63 V80 L100 T101 T102 H108	M63-D78 WeakPolarHBondContact CG-O 3.42Å; D78-V80 VanDerWaalsContact C-N 3.31Å; D78-V80 PolarHBondContact O-N 3.39Å; D78-L100 PolarHBondContact N-O 2.97Å; D78-T101 WeakPolarHBondContact OD1-CA 3.37Å; D78-T102 PolarHBondContact OD1-N 2.86Å; D78-T102 PolarHBondContact OD1-OG1 3.47Å; D78-T102 VanDerWaalsContact OD2-CG2 3.25Å; D78-T102 WeakPolarHBondContact OD2-CG2 3.4Å; D78-T102 PolarHBondContact OD2-OG1 2.92Å; D78-H108 CarbonylContact C-O 3.44Å; D78-H108 VanDerWaalsContact C-O 3.24Å; D78-H108 WeakPolarHBondContact CA-O 3.31Å; D78-H108 HydrophobicContact CB-CB 3.91Å; D78-H108 VanDerWaalsContact CG-ND1 3.34Å; D78-H108 IonicContact OD2-CE1 3.65Å; D78-H108 IonicContact OD2-CG 2.79Å; D78-H108 IonicContact OD2-ND1 3.16Å; D78-H108 PolarHBondContact OD2-ND1 2.85Å
79	P	98.6	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.			trans	-80.2	54.8	-165.3	36.9	-40.8	0	0	0	115.1	M63 I76 E81 P82 V85 V99 G111 N112 M115	M63-P79 VanDerWaalsContact SD-C 3.58Å; I76-P79 HydrophobicContact CB-CB 4.48Å; I76-P79 HydrophobicContact CG1-CB 3.69Å; I76-P79 HydrophobicContact CG2-CB 3.92Å; I76-P79 HydrophobicContact CG2-CG 4.21Å; P79-E81 PolarHBondContact O-N 3.09Å; P79-E81 VanDerWaalsContact O-N 3.15Å; P79-P82 WeakPolarHBondContact O-CD 3.46Å; P79-V85 HydrophobicContact CB-CG2 4.06Å; P79-V99 HydrophobicContact CG-CG1 3.68Å; P79-G111 WeakPolarHBondContact O-CA 3.4Å; P79-N112 WeakPolarHBondContact CD-OD1 3.45Å; P79-N112 VanDerWaalsContact CG-OD1 3.23Å; P79-N112 WeakPolarHBondContact CG-OD1 3.38Å; P79-M115 HydrophobicContact CB-CG 3.68Å; P79-M115 HydrophobicContact CB-SD 4.32Å; P79-M115 HydrophobicContact CG-CG 3.77Å
80	V	98.8	Very high	98.5	Very high	12 Å²	12	46.8 Å²	46.8	7%	0.073	22%	0.221	C	C	.	.	S	Bend	trans	-59.8	-25.5	-175.5	69	0	0	0	0	115.1	A57 L58 M63 D78 P82 W106 D107	A57-V80 HydrophobicContact CB-CG1 3.69Å; L58-V80 HydrophobicContact CD1-CG1 4.16Å; L58-V80 HydrophobicContact CD1-CG2 4.11Å; L58-V80 HydrophobicContact CG-CG1 4.12Å; M63-V80 HydrophobicContact CG-CG1 4.4Å; M63-V80 HydrophobicContact SD-CG1 4.13Å; M63-V80 PolarHBondContact SD-N 3.28Å; M63-V80 VanDerWaalsContact SD-N 3.43Å; D78-V80 VanDerWaalsContact C-N 3.31Å; D78-V80 PolarHBondContact O-N 3.39Å; V80-P82 VanDerWaalsContact C-CD 3.44Å; V80-P82 WeakPolarHBondContact O-CD 3.29Å; V80-W106 HydrophobicContact CG2-CH2 4.41Å; V80-W106 HydrophobicContact CG2-CZ3 4.42Å; V80-D107 VanDerWaalsContact CB-O 3.25Å; V80-D107 WeakPolarHBondContact CB-O 3.33Å; V80-D107 WeakPolarHBondContact CG1-O 3.45Å
81	E	98.6	Very high	98.6	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	22%	0.219	S	C	.	.	S	Bend	trans	-115.6	78.7	174.1	-71	-172.5	129.5	0	0	112.6	A57 M63 P79 I83 K84	A57-E81 WeakPolarHBondContact CA-OE2 3.42Å; A57-E81 HydrophobicContact CB-CB 4.49Å; A57-E81 HydrophobicContact CB-CG 4.23Å; A57-E81 WeakPolarHBondContact CB-OE2 3.36Å; M63-E81 HydrophobicContact CE-CB 4.04Å; M63-E81 HydrophobicContact SD-CB 4.21Å; M63-E81 PolarHBondContact SD-N 2.81Å; M63-E81 VanDerWaalsContact SD-N 3.36Å; P79-E81 PolarHBondContact O-N 3.09Å; P79-E81 VanDerWaalsContact O-N 3.15Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 3.31Å; E81-K84 HydrophobicContact CB-CD 4.22Å; E81-K84 PolarHBondContact O-N 2.95Å; E81-K84 VanDerWaalsContact O-N 3.13Å; E81-K84 IonicContact OE1-NZ 3.51Å; E81-K84 WeakPolarHBondContact OE2-CD 3.41Å; E81-K84 VanDerWaalsContact OE2-CE 3.23Å; E81-K84 WeakPolarHBondContact OE2-CE 3.27Å; E81-K84 IonicContact OE2-NZ 3.39Å; E81-K84 PolarHBondContact OE2-NZ 3.2Å
82	P	98.6	Very high	98.6	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-52.8	-33.4	-171.4	-36.5	40.4	0	0	0	117	P79 V80 V85 V86 G111 K114 M115 L118	P79-P82 WeakPolarHBondContact O-CD 3.46Å; V80-P82 VanDerWaalsContact C-CD 3.44Å; V80-P82 WeakPolarHBondContact O-CD 3.29Å; P82-V85 WeakPolarHBondContact O-CB 3.21Å; P82-V85 PolarHBondContact O-N 2.96Å; P82-V86 WeakPolarHBondContact O-CG2 3.31Å; P82-V86 PolarHBondContact O-N 3.38Å; P82-G111 VanDerWaalsContact CG-O 3.31Å; P82-G111 WeakPolarHBondContact CG-O 3.21Å; P82-K114 HydrophobicContact CB-CB 4.46Å; P82-K114 HydrophobicContact CB-CD 4.15Å; P82-K114 HydrophobicContact CB-CG 3.95Å; P82-K114 HydrophobicContact CG-CB 3.92Å; P82-K114 HydrophobicContact CG-CD 4Å; P82-K114 HydrophobicContact CG-CG 3.89Å; P82-M115 WeakPolarHBondContact CA-SD 3.31Å; P82-M115 HydrophobicContact CB-CG 3.99Å; P82-M115 HydrophobicContact CB-SD 3.36Å; P82-M115 WeakPolarHBondContact CB-SD 3.38Å; P82-M115 HydrophobicContact CG-CG 3.93Å; P82-M115 HydrophobicContact CG-SD 3.95Å; P82-L118 HydrophobicContact CB-CD1 3.81Å
83	I	98.6	Very high	98.6	Very high	79 Å²	79	44.8 Å²	44.8	41%	0.405	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-42.2	-177.1	-57.5	-57.9	0	0	0	110.8	E81 V85 V86 E87 L118	E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 3.31Å; I83-V85 PolarHBondContact O-N 3.47Å; I83-V86 PolarHBondContact O-N 3.17Å; I83-E87 WeakPolarHBondContact O-CG 3.42Å; I83-E87 PolarHBondContact O-N 2.91Å; I83-L118 HydrophobicContact CD1-CD1 3.81Å
84	K	98.4	Very high	98.6	Very high	81 Å²	81	42.9 Å²	42.9	35%	0.352	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-35.6	175.1	-70.2	-178.5	175.8	171.9	0	111.7	P56 M63 E81 E87 A88	P56-K84 PolarHBondContact O-NZ 2.94Å; M63-K84 HydrophobicContact CE-CB 4.07Å; M63-K84 HydrophobicContact CE-CD 4.46Å; E81-K84 HydrophobicContact CB-CD 4.22Å; E81-K84 PolarHBondContact O-N 2.95Å; E81-K84 VanDerWaalsContact O-N 3.13Å; E81-K84 IonicContact OE1-NZ 3.51Å; E81-K84 WeakPolarHBondContact OE2-CD 3.41Å; E81-K84 VanDerWaalsContact OE2-CE 3.23Å; E81-K84 WeakPolarHBondContact OE2-CE 3.27Å; E81-K84 IonicContact OE2-NZ 3.39Å; E81-K84 PolarHBondContact OE2-NZ 3.2Å; K84-E87 PolarHBondContact O-N 2.71Å; K84-A88 WeakPolarHBondContact O-CB 3.39Å; K84-A88 PolarHBondContact O-N 2.87Å
85	V	98.8	Very high	98.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-48.8	176.2	-178.7	0	0	0	0	110.5	M63 I76 P79 P82 I83 E87 A88 V89 L96 M115	M63-V85 HydrophobicContact CE-CG2 3.88Å; M63-V85 HydrophobicContact SD-CG2 4.06Å; I76-V85 HydrophobicContact CB-CG1 3.9Å; I76-V85 HydrophobicContact CD1-CG1 3.94Å; I76-V85 HydrophobicContact CD1-CG2 3.88Å; I76-V85 HydrophobicContact CG1-CB 4.35Å; I76-V85 HydrophobicContact CG1-CG1 3.62Å; I76-V85 HydrophobicContact CG1-CG2 3.75Å; I76-V85 HydrophobicContact CG2-CG1 4.17Å; P79-V85 HydrophobicContact CB-CG2 4.06Å; P82-V85 WeakPolarHBondContact O-CB 3.21Å; P82-V85 PolarHBondContact O-N 2.96Å; I83-V85 PolarHBondContact O-N 3.47Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.37Å; V85-A88 PolarHBondContact O-N 3.33Å; V85-V89 HydrophobicContact CG1-CG2 4.3Å; V85-V89 WeakPolarHBondContact O-CB 3.44Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.43Å; V85-V89 PolarHBondContact O-N 2.89Å; V85-L96 HydrophobicContact CG1-CD2 4.12Å; V85-M115 HydrophobicContact CB-CE 4.26Å; V85-M115 HydrophobicContact CB-SD 3.98Å; V85-M115 HydrophobicContact CG1-CE 3.84Å; V85-M115 HydrophobicContact CG1-SD 4.15Å; V85-M115 HydrophobicContact CG2-SD 4.32Å
86	V	98.7	Very high	98.6	Very high	53 Å²	53	49.7 Å²	49.7	32%	0.321	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-41.4	178.1	172.3	0	0	0	0	111.3	P82 I83 V89 R90 L118 M119	P82-V86 WeakPolarHBondContact O-CG2 3.31Å; P82-V86 PolarHBondContact O-N 3.38Å; I83-V86 PolarHBondContact O-N 3.17Å; V86-V89 PolarHBondContact O-N 3.29Å; V86-R90 WeakPolarHBondContact O-CB 3.5Å; V86-R90 PolarHBondContact O-N 2.75Å; V86-L118 HydrophobicContact CG2-CB 4.48Å; V86-L118 HydrophobicContact CG2-CD1 4.3Å; V86-M119 HydrophobicContact CG2-CG 4.42Å; V86-M119 HydrophobicContact CG2-SD 4.17Å
87	E	98.5	Very high	98.6	Very high	121 Å²	121	50.7 Å²	50.7	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-62.7	-45.6	175.7	-71.4	172	173.2	0	0	112.2	I83 K84 V85 R90 K91	I83-E87 WeakPolarHBondContact O-CG 3.42Å; I83-E87 PolarHBondContact O-N 2.91Å; K84-E87 PolarHBondContact O-N 2.71Å; V85-E87 VanDerWaalsContact C-N 3.29Å; V85-E87 PolarHBondContact O-N 3.37Å; E87-R90 PolarHBondContact O-N 2.86Å; E87-K91 WeakPolarHBondContact O-CB 3.26Å; E87-K91 PolarHBondContact O-N 3.03Å
88	A	98.6	Very high	98.6	Very high	6 Å²	6	50.9 Å²	50.9	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-43.9	176.9	0	0	0	0	0	112.1	L55 L65 K84 V85 R90 K91 H92	L55-A88 HydrophobicContact CD1-CB 3.84Å; L55-A88 HydrophobicContact CD2-CB 3.9Å; L65-A88 HydrophobicContact CD2-CB 3.89Å; K84-A88 WeakPolarHBondContact O-CB 3.39Å; K84-A88 PolarHBondContact O-N 2.87Å; V85-A88 PolarHBondContact O-N 3.33Å; A88-R90 VanDerWaalsContact C-N 3.3Å; A88-R90 PolarHBondContact O-N 3.15Å; A88-K91 WeakPolarHBondContact O-CB 3.39Å; A88-K91 PolarHBondContact O-N 3.09Å; A88-H92 PolarHBondContact O-CD2 2.75Å; A88-H92 PolarHBondContact O-N 3.15Å
89	V	98.6	Very high	98.6	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-45.2	174.9	168.2	0	0	0	0	110.8	L65 V85 V86 H92 G93 V94 L96 M119	L65-V89 HydrophobicContact CD1-CG2 3.87Å; L65-V89 HydrophobicContact CD2-CG2 4.39Å; V85-V89 HydrophobicContact CG1-CG2 4.3Å; V85-V89 WeakPolarHBondContact O-CB 3.44Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.43Å; V85-V89 PolarHBondContact O-N 2.89Å; V86-V89 PolarHBondContact O-N 3.29Å; V89-H92 PolarHBondContact O-N 2.95Å; V89-G93 PolarHBondContact O-N 3.16Å; V89-V94 HydrophobicContact CB-CG2 4.46Å; V89-V94 HydrophobicContact CG1-CG2 4.23Å; V89-V94 VanDerWaalsContact CG1-O 3.3Å; V89-V94 WeakPolarHBondContact CG1-O 3.32Å; V89-V94 PolarHBondContact O-N 3.49Å; V89-L96 HydrophobicContact CG1-CB 4.26Å; V89-L96 HydrophobicContact CG2-CB 3.94Å; V89-L96 HydrophobicContact CG2-CD1 4.18Å; V89-L96 HydrophobicContact CG2-CD2 4.23Å; V89-L96 HydrophobicContact CG2-CG 4.35Å; V89-M119 HydrophobicContact CG1-CE 4.29Å
90	R	98.4	Very high	98.6	Very high	216 Å²	216	50.7 Å²	50.7	82%	0.815	25%	0.25	S	S	*	.	H	α-helix	trans	-65.2	-44	176.7	-168.8	-177.1	-160.8	167.3	6.5	112.1	V86 E87 A88 H92 G93	V86-R90 WeakPolarHBondContact O-CB 3.5Å; V86-R90 PolarHBondContact O-N 2.75Å; E87-R90 PolarHBondContact O-N 2.86Å; A88-R90 VanDerWaalsContact C-N 3.3Å; A88-R90 PolarHBondContact O-N 3.15Å; R90-H92 VanDerWaalsContact C-N 3.29Å; R90-H92 PolarHBondContact O-N 2.79Å; R90-G93 PolarHBondContact O-N 2.94Å
91	K	98.3	Very high	98.6	Very high	137 Å²	137	50.1 Å²	50.1	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-56.5	-41.6	178	172.5	-171.7	171.3	-170.7	0	111.8	E53 E87 A88	E53-K91 IonicContact OE1-NZ 2.96Å; E53-K91 PolarHBondContact OE1-NZ 3.33Å; E87-K91 WeakPolarHBondContact O-CB 3.26Å; E87-K91 PolarHBondContact O-N 3.03Å; A88-K91 WeakPolarHBondContact O-CB 3.39Å; A88-K91 PolarHBondContact O-N 3.09Å
92	H	98.1	Very high	98.6	Very high	35 Å²	35	47.3 Å²	47.3	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-89.7	-7.8	-179.6	-68.9	-71.8	0	0	0	114.5	R51 E53 I67 A88 V89 R90 V94	R51-H92 PolarHBondContact NH1-CE1 2.65Å; R51-H92 PolarHBondContact NH1-ND1 2.83Å; E53-H92 VanDerWaalsContact CD-NE2 3.25Å; E53-H92 IonicContact OE1-NE2 2.75Å; E53-H92 IonicContact OE2-CD2 2.75Å; E53-H92 PolarHBondContact OE2-CD2 2.92Å; E53-H92 IonicContact OE2-CE1 2.71Å; E53-H92 IonicContact OE2-NE2 3.88Å; E53-H92 PolarHBondContact OE2-NE2 3.44Å; I67-H92 HydrophobicContact CD1-CB 3.96Å; A88-H92 PolarHBondContact O-CD2 2.75Å; A88-H92 PolarHBondContact O-N 3.15Å; V89-H92 PolarHBondContact O-N 2.95Å; R90-H92 VanDerWaalsContact C-N 3.29Å; R90-H92 PolarHBondContact O-N 2.79Å; H92-V94 VanDerWaalsContact C-N 3.28Å; H92-V94 HydrophobicContact CB-CG1 3.96Å; H92-V94 HydrophobicContact CB-CG2 4.18Å; H92-V94 PolarHBondContact O-N 3.05Å
93	G	98.1	Very high	98.6	Very high	64 Å²	64	47 Å²	47	66%	0.66	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	34.9	-178.8	0	0	0	0	0	113.3	V89 R90	V89-G93 PolarHBondContact O-N 3.16Å; R90-G93 PolarHBondContact O-N 2.94Å
94	V	98.6	Very high	98.6	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.085	22%	0.221	C	C	.	.			trans	-102.8	160.4	-176.3	-65.1	0	0	0	0	111.9	L65 I67 K72 A74 V89 H92	L65-V94 HydrophobicContact CD2-CG2 4.42Å; I67-V94 HydrophobicContact CD1-CG1 4.11Å; I67-V94 HydrophobicContact CG1-CG1 4.19Å; I67-V94 HydrophobicContact CG1-CG2 4.47Å; I67-V94 HydrophobicContact CG2-CG1 3.66Å; K72-V94 WeakPolarHBondContact O-CB 3.25Å; A74-V94 HydrophobicContact CB-CB 4.11Å; A74-V94 HydrophobicContact CB-CG2 3.8Å; V89-V94 HydrophobicContact CB-CG2 4.46Å; V89-V94 HydrophobicContact CG1-CG2 4.23Å; V89-V94 VanDerWaalsContact CG1-O 3.3Å; V89-V94 WeakPolarHBondContact CG1-O 3.32Å; V89-V94 PolarHBondContact O-N 3.49Å; H92-V94 VanDerWaalsContact C-N 3.28Å; H92-V94 HydrophobicContact CB-CG1 3.96Å; H92-V94 HydrophobicContact CB-CG2 4.18Å; H92-V94 PolarHBondContact O-N 3.05Å
95	K	98.6	Very high	98.7	Very high	132 Å²	132	43.2 Å²	43.2	57%	0.574	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.5	175.6	-176.9	-171.5	175	-167.1	0	109.9	K72 E73 A74 T97	K72-K95 PolarHBondContact O-N 3.4Å; E73-K95 CarbonylContact C-O 3.24Å; E73-K95 WeakPolarHBondContact CA-O 3.28Å; A74-K95 PolarHBondContact N-O 3.16Å; K95-T97 HydrophobicContact CD-CG2 4.04Å; K95-T97 HydrophobicContact CG-CG2 3.99Å; K95-T97 PolarHBondContact O-N 2.79Å
96	L	98.8	Very high	98.7	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	172.8	-166.9	72.5	0	0	0	110.1	L65 A74 I76 V85 V89 M115 M119 L122	L65-L96 HydrophobicContact CD1-CD1 4.02Å; A74-L96 HydrophobicContact CB-CD1 4.27Å; I76-L96 HydrophobicContact CB-CD1 3.96Å; I76-L96 HydrophobicContact CG2-CD1 4.03Å; I76-L96 HydrophobicContact CG2-CD2 4.06Å; V85-L96 HydrophobicContact CG1-CD2 4.12Å; V89-L96 HydrophobicContact CG1-CB 4.26Å; V89-L96 HydrophobicContact CG2-CB 3.94Å; V89-L96 HydrophobicContact CG2-CD1 4.18Å; V89-L96 HydrophobicContact CG2-CD2 4.23Å; V89-L96 HydrophobicContact CG2-CG 4.35Å; L96-M115 HydrophobicContact CD2-CE 3.57Å; L96-M119 HydrophobicContact CB-CE 3.91Å; L96-M119 HydrophobicContact CB-SD 4.18Å; L96-M119 HydrophobicContact CD2-SD 3.74Å; L96-L122 HydrophobicContact CB-CD2 4.29Å; L96-L122 HydrophobicContact CD2-CD1 4.1Å; L96-L122 HydrophobicContact CD2-CD2 4.01Å; L96-L122 HydrophobicContact CG-CD2 3.8Å; L96-L122 WeakPolarHBondContact O-CD2 3.37Å
97	T	98.8	Very high	98.7	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-20.6	-179.8	62.3	0	0	0	0	113.1	E73 A74 K95 L122 K123	E73-T97 HydrophobicContact CB-CG2 4.4Å; E73-T97 HydrophobicContact CG-CG2 4.12Å; A74-T97 PolarHBondContact O-N 3.03Å; K95-T97 HydrophobicContact CD-CG2 4.04Å; K95-T97 HydrophobicContact CG-CG2 3.99Å; K95-T97 PolarHBondContact O-N 2.79Å; T97-L122 VanDerWaalsContact C-CD2 3.45Å; T97-K123 PolarHBondContact O-N 2.97Å; T97-K123 VanDerWaalsContact O-N 3.09Å
98	T	98.9	Very high	98.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.5	-163.2	-55	0	0	0	0	111.5	A75 I76 L100 K123 Y125 F144	A75-T98 CarbonylContact C-O 3.52Å; A75-T98 WeakPolarHBondContact CA-O 3.2Å; A75-T98 HydrophobicContact CB-CG2 4.19Å; I76-T98 PolarHBondContact N-O 2.9Å; T98-L100 HydrophobicContact CG2-CD2 3.57Å; T98-L100 HydrophobicContact CG2-CG 4.22Å; T98-K123 CarbonylContact C-O 3.57Å; T98-K123 WeakPolarHBondContact CA-O 3.33Å; T98-Y125 HydrophobicContact CG2-CD2 3.61Å; T98-Y125 HydrophobicContact CG2-CE2 3.76Å; T98-F144 HydrophobicContact CG2-CE2 4.3Å
99	V	98.9	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.2	165.3	176.8	0	0	0	0	107.8	I76 P79 L122 K123 V124 Y125	I76-V99 HydrophobicContact CG2-CB 4.36Å; I76-V99 HydrophobicContact CG2-CG1 4.47Å; I76-V99 HydrophobicContact CG2-CG2 3.79Å; I76-V99 CarbonylContact O-C 3.59Å; I76-V99 WeakPolarHBondContact O-CA 3.36Å; P79-V99 HydrophobicContact CG-CG1 3.68Å; V99-L122 HydrophobicContact CG2-CD1 4.03Å; V99-K123 PolarHBondContact N-O 3.24Å; V99-V124 HydrophobicContact CB-CB 4.4Å; V99-V124 HydrophobicContact CB-CG1 4.26Å; V99-V124 HydrophobicContact CB-CG2 4.14Å; V99-V124 HydrophobicContact CG1-CG1 4.19Å; V99-V124 HydrophobicContact CG2-CG2 4.31Å; V99-Y125 PolarHBondContact O-N 2.87Å
100	L	98.9	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.3	175.3	-55.5	-177	0	0	0	108	A75 I76 V77 D78 T98 Y125 F144 Y166	A75-L100 HydrophobicContact CB-CD1 4.14Å; A75-L100 HydrophobicContact CB-CG 4.16Å; I76-L100 PolarHBondContact O-N 3.33Å; V77-L100 VanDerWaalsContact CA-O 3.28Å; V77-L100 WeakPolarHBondContact CA-O 3.23Å; V77-L100 HydrophobicContact CG2-CB 4.16Å; V77-L100 HydrophobicContact CG2-CD1 4.19Å; D78-L100 PolarHBondContact N-O 2.97Å; T98-L100 HydrophobicContact CG2-CD2 3.57Å; T98-L100 HydrophobicContact CG2-CG 4.22Å; L100-Y125 HydrophobicContact CD2-CD2 4.26Å; L100-Y125 HydrophobicContact CD2-CG 4.27Å; L100-F144 HydrophobicContact CD2-CE2 4.12Å; L100-F144 HydrophobicContact CD2-CZ 3.54Å; L100-Y166 HydrophobicContact CB-CD1 4.49Å; L100-Y166 HydrophobicContact CB-CD2 3.87Å; L100-Y166 HydrophobicContact CB-CE1 4.37Å; L100-Y166 HydrophobicContact CB-CE2 3.73Å; L100-Y166 HydrophobicContact CB-CG 4.24Å; L100-Y166 HydrophobicContact CD1-CD1 4.35Å; L100-Y166 HydrophobicContact CD1-CD2 4.48Å; L100-Y166 HydrophobicContact CD1-CG 4.12Å; L100-Y166 HydrophobicContact CD2-CD1 4.21Å; L100-Y166 HydrophobicContact CD2-CE1 4.07Å
101	T	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.			trans	-105.5	114.8	-179.1	-44.6	0	0	0	0	109.6	D78 H103 A109 N112 Y125 V131 Y166	D78-T101 WeakPolarHBondContact OD1-CA 3.37Å; T101-H103 WeakPolarHBondContact CG2-O 3.49Å; T101-A109 HydrophobicContact CG2-CB 3.7Å; T101-N112 PolarHBondContact OG1-ND2 3.49Å; T101-Y125 WeakPolarHBondContact CB-O 3.33Å; T101-Y125 PolarHBondContact N-O 3.34Å; T101-Y125 PolarHBondContact OG1-O 2.93Å; T101-V131 HydrophobicContact CG2-CG1 3.81Å; T101-V131 HydrophobicContact CG2-CG2 4.07Å; T101-Y166 PolarHBondContact N-OH 2.88Å; T101-Y166 PolarHBondContact O-OH 2.93Å
102	T	98.9	Very high	98.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.152	C	C	.	.			trans	-67.1	-41.4	-176.3	60.5	0	0	0	0	111.6	V77 D78 H163 I164 Y166	V77-T102 HydrophobicContact CG1-CG2 4.08Å; D78-T102 PolarHBondContact OD1-N 2.86Å; D78-T102 PolarHBondContact OD1-OG1 3.47Å; D78-T102 VanDerWaalsContact OD2-CG2 3.25Å; D78-T102 WeakPolarHBondContact OD2-CG2 3.4Å; D78-T102 PolarHBondContact OD2-OG1 2.92Å; T102-H163 WeakPolarHBondContact O-CA 3.13Å; T102-I164 WeakPolarHBondContact CA-O 3.14Å; T102-I164 PolarHBondContact O-N 3.27Å; T102-Y166 HydrophobicContact CG2-CD2 4.31Å; T102-Y166 HydrophobicContact CG2-CE2 4.3Å
103	H	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.			trans	-160.8	173.1	177.3	66.5	-66	0	0	0	112.7	T101 H105 H108 H159 T160 H163 D183	T101-H103 WeakPolarHBondContact CG2-O 3.49Å; H103-H105 AromaticContact CD2-CG 3.45Å; H103-H105 VanDerWaalsContact CD2-CG 3.45Å; H103-H105 AromaticContact CD2-ND1 3.28Å; H103-H105 PolarHBondContact CD2-ND1 3.22Å; H103-H105 VanDerWaalsContact CD2-ND1 3.28Å; H103-H105 WeakPolarHBondContact NE2-CB 3.43Å; H103-H105 AromaticContact NE2-CG 3.47Å; H103-H105 AromaticContact NE2-ND1 3.07Å; H103-H105 PolarHBondContact NE2-ND1 2.78Å; H103-H105 PolarHBondContact O-N 3.27Å; H103-H108 AromaticContact CE1-CD2 3.15Å; H103-H108 PolarHBondContact CE1-CD2 2.96Å; H103-H108 AromaticContact CE1-CE1 3.57Å; H103-H108 AromaticContact CE1-CG 3.34Å; H103-H108 AromaticContact CE1-ND1 3.59Å; H103-H108 AromaticContact CE1-NE2 3.32Å; H103-H108 PolarHBondContact CE1-NE2 3.06Å; H103-H108 VanDerWaalsContact CE1-NE2 3.32Å; H103-H108 AromaticContact ND1-CG 3.78Å; H103-H108 AromaticContact ND1-ND1 3.95Å; H103-H108 AromaticContact NE2-CD2 3.63Å; H103-H108 AromaticContact NE2-NE2 3.97Å; H103-H159 AromaticContact CD2-CD2 3.72Å; H103-H159 AromaticContact CD2-NE2 3.94Å; H103-H159 AromaticContact NE2-CD2 3.55Å; H103-H159 AromaticContact NE2-NE2 3.42Å; H103-H159 PolarHBondContact NE2-NE2 3.25Å; H103-T160 HydrophobicContact CB-CG2 4.31Å; H103-T160 VanDerWaalsContact CB-OG1 3.31Å; H103-T160 WeakPolarHBondContact CB-OG1 3.37Å; H103-H163 HydrophobicContact CB-CB 4.41Å; H103-H163 AromaticContact CG-CD2 3.71Å; H103-H163 AromaticContact ND1-CD2 3.79Å; H103-H163 AromaticContact ND1-NE2 3.69Å; H103-D183 IonicContact CE1-OD1 3.69Å
104	H	98.8	Very high	98.7	Very high	35 Å²	35	33.4 Å²	33.4	16%	0.162	16%	0.156	C	C	.	.	S	Bend	trans	-81.1	-5.2	-168.3	77.1	-84.2	0	0	0	115.5	W106 D128 R130 V131 E195	H104-W106 PolarHBondContact O-N 2.77Å; H104-D128 IonicContact ND1-OD2 2.73Å; H104-R130 HydrophobicContact CB-CB 3.63Å; H104-R130 PolarHBondContact CE1-NH1 2.85Å; H104-R130 PolarHBondContact CE1-NH2 2.8Å; H104-R130 PolarHBondContact NE2-NH1 3.32Å; H104-V131 HydrophobicContact CB-CG2 4.31Å; H104-E195 IonicContact CE1-OE1 2.73Å; H104-E195 PolarHBondContact CE1-OE1 3.43Å; H104-E195 IonicContact NE2-OE1 3.2Å
105	H	98.8	Very high	98.7	Very high	46 Å²	46	32.7 Å²	32.7	21%	0.213	15%	0.152	C	C	.	.			trans	-61.5	143.4	179.2	-69.1	156.8	0	0	0	110.5	H103 D107 H108 A109 H159 T160 F194	H103-H105 AromaticContact CD2-CG 3.45Å; H103-H105 VanDerWaalsContact CD2-CG 3.45Å; H103-H105 AromaticContact CD2-ND1 3.28Å; H103-H105 PolarHBondContact CD2-ND1 3.22Å; H103-H105 VanDerWaalsContact CD2-ND1 3.28Å; H103-H105 WeakPolarHBondContact NE2-CB 3.43Å; H103-H105 AromaticContact NE2-CG 3.47Å; H103-H105 AromaticContact NE2-ND1 3.07Å; H103-H105 PolarHBondContact NE2-ND1 2.78Å; H103-H105 PolarHBondContact O-N 3.27Å; H105-D107 VanDerWaalsContact C-N 3.25Å; H105-D107 WeakPolarHBondContact CB-OD1 3.33Å; H105-D107 PolarHBondContact O-N 3.27Å; H105-H108 PolarHBondContact O-N 2.98Å; H105-A109 PolarHBondContact O-N 2.99Å; H105-H159 AromaticContact CE1-CD2 3.77Å; H105-H159 AromaticContact CE1-CE1 3.76Å; H105-H159 AromaticContact CE1-NE2 3.1Å; H105-H159 PolarHBondContact CE1-NE2 2.7Å; H105-H159 AromaticContact ND1-CD2 3.8Å; H105-H159 AromaticContact ND1-CE1 3.94Å; H105-H159 AromaticContact ND1-NE2 3.01Å; H105-H159 PolarHBondContact ND1-NE2 3.15Å; H105-T160 VanDerWaalsContact CE1-CG2 3.49Å; H105-T160 WeakPolarHBondContact CE1-CG2 3.43Å; H105-F194 AromaticContact CE1-CD2 3.92Å
106	W	98.8	Very high	98.7	Very high	168 Å²	168	28.3 Å²	28.3	64%	0.636	14%	0.136	S	C	*	.	H	α-helix	trans	-59.6	-36.1	-169.1	173.3	84.6	0	0	0	112.9	L58 V80 H104 H108 G110	L58-W106 HydrophobicContact CD1-CZ3 3.84Å; L58-W106 HydrophobicContact CD2-CH2 4.24Å; L58-W106 HydrophobicContact CD2-CZ3 4.31Å; V80-W106 HydrophobicContact CG2-CH2 4.41Å; V80-W106 HydrophobicContact CG2-CZ3 4.42Å; H104-W106 PolarHBondContact O-N 2.77Å; W106-H108 PolarHBondContact O-N 2.85Å; W106-H108 VanDerWaalsContact O-N 3.11Å; W106-G110 WeakPolarHBondContact O-CA 3.42Å; W106-G110 PolarHBondContact O-N 3.07Å
107	D	98.8	Very high	98.7	Very high	38 Å²	38	34.9 Å²	34.9	20%	0.203	16%	0.164	C	C	.	.	H	α-helix	trans	-69.7	-5	179.4	60.8	-49	0	0	0	113.8	L58 N61 V80 H105 H222	L58-D107 HydrophobicContact CD1-CB 3.68Å; N61-D107 PolarHBondContact ND2-O 3.47Å; N61-D107 PolarHBondContact ND2-OD2 3.36Å; V80-D107 VanDerWaalsContact CB-O 3.25Å; V80-D107 WeakPolarHBondContact CB-O 3.33Å; V80-D107 WeakPolarHBondContact CG1-O 3.45Å; H105-D107 VanDerWaalsContact C-N 3.25Å; H105-D107 WeakPolarHBondContact CB-OD1 3.33Å; H105-D107 PolarHBondContact O-N 3.27Å; D107-H222 IonicContact OD2-CE1 3.58Å; D107-H222 PolarHBondContact OD2-CE1 3.03Å; D107-H222 IonicContact OD2-NE2 3.79Å; D107-H222 PolarHBondContact OD2-NE2 3.33Å
108	H	98.8	Very high	98.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-114.3	-49.9	171.6	-64.7	-101.6	0	0	0	112.3	D78 H103 H105 W106 D183 H222	D78-H108 CarbonylContact C-O 3.44Å; D78-H108 VanDerWaalsContact C-O 3.24Å; D78-H108 WeakPolarHBondContact CA-O 3.31Å; D78-H108 HydrophobicContact CB-CB 3.91Å; D78-H108 VanDerWaalsContact CG-ND1 3.34Å; D78-H108 IonicContact OD2-CE1 3.65Å; D78-H108 IonicContact OD2-CG 2.79Å; D78-H108 IonicContact OD2-ND1 3.16Å; D78-H108 PolarHBondContact OD2-ND1 2.85Å; H103-H108 AromaticContact CE1-CD2 3.15Å; H103-H108 PolarHBondContact CE1-CD2 2.96Å; H103-H108 AromaticContact CE1-CE1 3.57Å; H103-H108 AromaticContact CE1-CG 3.34Å; H103-H108 AromaticContact CE1-ND1 3.59Å; H103-H108 AromaticContact CE1-NE2 3.32Å; H103-H108 PolarHBondContact CE1-NE2 3.06Å; H103-H108 VanDerWaalsContact CE1-NE2 3.32Å; H103-H108 AromaticContact ND1-CG 3.78Å; H103-H108 AromaticContact ND1-ND1 3.95Å; H103-H108 AromaticContact NE2-CD2 3.63Å; H103-H108 AromaticContact NE2-NE2 3.97Å; H105-H108 PolarHBondContact O-N 2.98Å; W106-H108 PolarHBondContact O-N 2.85Å; W106-H108 VanDerWaalsContact O-N 3.11Å; H108-D183 IonicContact CE1-OD1 3.16Å; H108-D183 PolarHBondContact CE1-OD1 2.95Å; H108-D183 VanDerWaalsContact CE1-OD1 3.22Å; H108-D183 IonicContact NE2-OD1 3.88Å; H108-D183 PolarHBondContact NE2-OD1 3.2Å; H108-H222 AromaticContact NE2-NE2 3.37Å; H108-H222 PolarHBondContact NE2-NE2 3.34Å
109	A	98.6	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-91.7	-20.2	-173.1	0	0	0	0	0	114.2	T101 H105 G111 N112	T101-A109 HydrophobicContact CG2-CB 3.7Å; H105-A109 PolarHBondContact O-N 2.99Å; A109-G111 PolarHBondContact O-N 3.28Å; A109-N112 VanDerWaalsContact O-CB 3.23Å; A109-N112 WeakPolarHBondContact O-CB 3.49Å; A109-N112 PolarHBondContact O-N 3.42Å; A109-N112 PolarHBondContact O-OD1 3.1Å
110	G	98.4	Very high	98.5	Very high	24 Å²	24	45.3 Å²	45.3	25%	0.247	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.4	-166.2	0	0	0	0	0	115.2	W106	W106-G110 WeakPolarHBondContact O-CA 3.42Å; W106-G110 PolarHBondContact O-N 3.07Å
111	G	98.6	Very high	98.4	Very high	2 Å²	2	49 Å²	49	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.7	173	0	0	0	0	0	114.8	P79 P82 A109 E113 K114 M115	P79-G111 WeakPolarHBondContact O-CA 3.4Å; P82-G111 VanDerWaalsContact CG-O 3.31Å; P82-G111 WeakPolarHBondContact CG-O 3.21Å; A109-G111 PolarHBondContact O-N 3.28Å; G111-E113 PolarHBondContact O-N 3.01Å; G111-K114 PolarHBondContact O-N 2.84Å; G111-M115 PolarHBondContact O-N 3.41Å
112	N	98.8	Very high	98.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-47.5	-171.4	-72.7	-3.1	0	0	0	113.1	P79 T101 A109 K114 M115 V116 D132 A133	P79-N112 WeakPolarHBondContact CD-OD1 3.45Å; P79-N112 VanDerWaalsContact CG-OD1 3.23Å; P79-N112 WeakPolarHBondContact CG-OD1 3.38Å; T101-N112 PolarHBondContact OG1-ND2 3.49Å; A109-N112 VanDerWaalsContact O-CB 3.23Å; A109-N112 WeakPolarHBondContact O-CB 3.49Å; A109-N112 PolarHBondContact O-N 3.42Å; A109-N112 PolarHBondContact O-OD1 3.1Å; N112-K114 VanDerWaalsContact C-N 3.28Å; N112-K114 PolarHBondContact O-N 3.21Å; N112-M115 WeakPolarHBondContact O-CB 3.32Å; N112-M115 PolarHBondContact O-N 3.39Å; N112-M115 VanDerWaalsContact O-N 3.17Å; N112-V116 PolarHBondContact O-N 3.02Å; N112-D132 HydrophobicContact CB-CB 4.11Å; N112-D132 WeakPolarHBondContact CB-O 3.45Å; N112-D132 PolarHBondContact ND2-O 2.94Å; N112-A133 HydrophobicContact CB-CB 4.27Å
113	E	98.5	Very high	98.4	Very high	99 Å²	99	54.4 Å²	54.4	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-41.1	178.9	-70.3	-157.3	166.7	0	0	112.5	G111 V116 K117 D132 A133	G111-E113 PolarHBondContact O-N 3.01Å; E113-V116 WeakPolarHBondContact O-CG2 3.37Å; E113-K117 WeakPolarHBondContact O-CD 3.3Å; E113-K117 VanDerWaalsContact O-CG 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.38Å; E113-K117 PolarHBondContact O-N 2.9Å; E113-K117 IonicContact OE2-NZ 3.33Å; E113-K117 PolarHBondContact OE2-NZ 2.77Å; E113-D132 HydrophobicContact CG-CB 4.25Å; E113-A133 HydrophobicContact CG-CB 4.3Å
114	K	98.6	Very high	98.4	Very high	104 Å²	104	54.4 Å²	54.4	45%	0.452	29%	0.286	S	S	.	.	H	α-helix	trans	-73.1	-35.1	179.5	176.1	175.6	179.9	-179.5	0	110.7	P82 G111 N112 K117 L118	P82-K114 HydrophobicContact CB-CB 4.46Å; P82-K114 HydrophobicContact CB-CD 4.15Å; P82-K114 HydrophobicContact CB-CG 3.95Å; P82-K114 HydrophobicContact CG-CB 3.92Å; P82-K114 HydrophobicContact CG-CD 4Å; P82-K114 HydrophobicContact CG-CG 3.89Å; G111-K114 PolarHBondContact O-N 2.84Å; N112-K114 VanDerWaalsContact C-N 3.28Å; N112-K114 PolarHBondContact O-N 3.21Å; K114-K117 PolarHBondContact O-N 2.77Å; K114-L118 HydrophobicContact CG-CD1 3.91Å; K114-L118 HydrophobicContact CG-CG 4.33Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 VanDerWaalsContact O-CG 3.29Å; K114-L118 WeakPolarHBondContact O-CG 3.21Å; K114-L118 PolarHBondContact O-N 2.81Å
115	M	98.4	Very high	98.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-50.1	171.9	-80.6	-51.2	-53.5	0	0	112	P79 P82 V85 L96 G111 N112 K117 L118 M119 L122	P79-M115 HydrophobicContact CB-CG 3.68Å; P79-M115 HydrophobicContact CB-SD 4.32Å; P79-M115 HydrophobicContact CG-CG 3.77Å; P82-M115 WeakPolarHBondContact CA-SD 3.31Å; P82-M115 HydrophobicContact CB-CG 3.99Å; P82-M115 HydrophobicContact CB-SD 3.36Å; P82-M115 WeakPolarHBondContact CB-SD 3.38Å; P82-M115 HydrophobicContact CG-CG 3.93Å; P82-M115 HydrophobicContact CG-SD 3.95Å; V85-M115 HydrophobicContact CB-CE 4.26Å; V85-M115 HydrophobicContact CB-SD 3.98Å; V85-M115 HydrophobicContact CG1-CE 3.84Å; V85-M115 HydrophobicContact CG1-SD 4.15Å; V85-M115 HydrophobicContact CG2-SD 4.32Å; L96-M115 HydrophobicContact CD2-CE 3.57Å; G111-M115 PolarHBondContact O-N 3.41Å; N112-M115 WeakPolarHBondContact O-CB 3.32Å; N112-M115 PolarHBondContact O-N 3.39Å; N112-M115 VanDerWaalsContact O-N 3.17Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 2.98Å; M115-L118 PolarHBondContact O-N 2.71Å; M115-M119 HydrophobicContact CE-SD 4.2Å; M115-M119 PolarHBondContact O-N 3.47Å; M115-L122 HydrophobicContact CB-CD1 4.32Å; M115-L122 HydrophobicContact CE-CD1 4.12Å
116	V	98.2	Very high	98.4	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-27.1	-178.4	-59.7	0	0	0	0	113	N112 E113 M119 P120 L122 V124 A133	N112-V116 PolarHBondContact O-N 3.02Å; E113-V116 WeakPolarHBondContact O-CG2 3.37Å; V116-M119 CarbonylContact O-C 3.57Å; V116-P120 WeakPolarHBondContact O-CA 3.38Å; V116-L122 HydrophobicContact CG1-CB 4.38Å; V116-V124 HydrophobicContact CG1-CG2 3.56Å; V116-A133 HydrophobicContact CG1-CB 4.29Å; V116-A133 HydrophobicContact CG2-CB 4Å
117	K	98.4	Very high	98.4	Very high	150 Å²	150	44.3 Å²	44.3	65%	0.652	25%	0.249	S	C	*	.	H	α-helix	trans	-71.3	-42.1	172.2	-73.2	166	-176.2	159	0	111.9	E113 K114 M115	E113-K117 WeakPolarHBondContact O-CD 3.3Å; E113-K117 VanDerWaalsContact O-CG 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.38Å; E113-K117 PolarHBondContact O-N 2.9Å; E113-K117 IonicContact OE2-NZ 3.33Å; E113-K117 PolarHBondContact OE2-NZ 2.77Å; K114-K117 PolarHBondContact O-N 2.77Å; M115-K117 VanDerWaalsContact C-N 3.28Å; M115-K117 PolarHBondContact O-N 2.98Å
118	L	98.2	Very high	98.3	Very high	80 Å²	80	43.2 Å²	43.2	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-73	-35.1	179.3	-71.5	171.1	0	0	0	112.6	P82 I83 V86 K114 M115	P82-L118 HydrophobicContact CB-CD1 3.81Å; I83-L118 HydrophobicContact CD1-CD1 3.81Å; V86-L118 HydrophobicContact CG2-CB 4.48Å; V86-L118 HydrophobicContact CG2-CD1 4.3Å; K114-L118 HydrophobicContact CG-CD1 3.91Å; K114-L118 HydrophobicContact CG-CG 4.33Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 VanDerWaalsContact O-CG 3.29Å; K114-L118 WeakPolarHBondContact O-CG 3.21Å; K114-L118 PolarHBondContact O-N 2.81Å; M115-L118 PolarHBondContact O-N 2.71Å
119	M	97.5	Very high	98.3	Very high	52 Å²	52	48.7 Å²	48.7	26%	0.256	27%	0.272	S	S	.	.	S	Bend	trans	-131.3	84.6	-179.4	-60.3	-171	79.7	0	0	109.4	V86 V89 L96 M115 V116 L122	V86-M119 HydrophobicContact CG2-CG 4.42Å; V86-M119 HydrophobicContact CG2-SD 4.17Å; V89-M119 HydrophobicContact CG1-CE 4.29Å; L96-M119 HydrophobicContact CB-CE 3.91Å; L96-M119 HydrophobicContact CB-SD 4.18Å; L96-M119 HydrophobicContact CD2-SD 3.74Å; M115-M119 HydrophobicContact CE-SD 4.2Å; M115-M119 PolarHBondContact O-N 3.47Å; V116-M119 CarbonylContact O-C 3.57Å; M119-L122 HydrophobicContact CB-CD1 3.85Å; M119-L122 HydrophobicContact CB-CG 4.16Å; M119-L122 VanDerWaalsContact O-CG 3.28Å; M119-L122 WeakPolarHBondContact O-CG 3.25Å
120	P	97.3	Very high	98.3	Very high	112 Å²	112	53.6 Å²	53.6	73%	0.727	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	144.3	179.3	-25.4	35.7	0	0	0	112.8	V116	V116-P120 WeakPolarHBondContact O-CA 3.38Å
121	G	97.1	Very high	98.3	Very high	78 Å²	78	52.6 Å²	52.6	80%	0.804	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	0.1	178	0	0	0	0	0	115.4
122	L	98.6	Very high	98.1	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	30%	0.295	C	S	.	.			trans	-62.1	138.6	173	-69.4	174.8	0	0	0	111.9	L96 T97 V99 M115 V116 M119	L96-L122 HydrophobicContact CB-CD2 4.29Å; L96-L122 HydrophobicContact CD2-CD1 4.1Å; L96-L122 HydrophobicContact CD2-CD2 4.01Å; L96-L122 HydrophobicContact CG-CD2 3.8Å; L96-L122 WeakPolarHBondContact O-CD2 3.37Å; T97-L122 VanDerWaalsContact C-CD2 3.45Å; V99-L122 HydrophobicContact CG2-CD1 4.03Å; M115-L122 HydrophobicContact CB-CD1 4.32Å; M115-L122 HydrophobicContact CE-CD1 4.12Å; V116-L122 HydrophobicContact CG1-CB 4.38Å; M119-L122 HydrophobicContact CB-CD1 3.85Å; M119-L122 HydrophobicContact CB-CG 4.16Å; M119-L122 VanDerWaalsContact O-CG 3.28Å; M119-L122 WeakPolarHBondContact O-CG 3.25Å
123	K	98.8	Very high	98.1	Very high	100 Å²	100	57 Å²	57	44%	0.435	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.1	168	-61.6	170.6	-170.4	167.9	0	108.7	T97 T98 V99 Y125 K136	T97-K123 PolarHBondContact O-N 2.97Å; T97-K123 VanDerWaalsContact O-N 3.09Å; T98-K123 CarbonylContact C-O 3.57Å; T98-K123 WeakPolarHBondContact CA-O 3.33Å; V99-K123 PolarHBondContact N-O 3.24Å; K123-Y125 HydrophobicContact CB-CD2 4.13Å; K123-Y125 HydrophobicContact CB-CE2 3.59Å; K123-Y125 HydrophobicContact CD-CE2 4.24Å; K123-K136 HydrophobicContact CB-CG 4.24Å
124	V	98.8	Very high	98.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.1	179.7	-175.9	0	0	0	0	108.4	V99 V116 V131 A133 T135 K136	V99-V124 HydrophobicContact CB-CB 4.4Å; V99-V124 HydrophobicContact CB-CG1 4.26Å; V99-V124 HydrophobicContact CB-CG2 4.14Å; V99-V124 HydrophobicContact CG1-CG1 4.19Å; V99-V124 HydrophobicContact CG2-CG2 4.31Å; V116-V124 HydrophobicContact CG1-CG2 3.56Å; V124-V131 HydrophobicContact CG1-CG1 4.38Å; V124-A133 VanDerWaalsContact CB-O 3.28Å; V124-A133 WeakPolarHBondContact CB-O 3.35Å; V124-A133 WeakPolarHBondContact CG2-O 3.34Å; V124-T135 PolarHBondContact N-OG1 3.39Å; V124-T135 PolarHBondContact O-N 3.42Å; V124-K136 PolarHBondContact O-N 3.29Å
125	Y	98.9	Very high	98.1	Very high	24 Å²	24	53.3 Å²	53.3	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.6	177.9	-71.4	-102.3	0	0	0	110.7	T98 V99 L100 T101 K123 K136 V138 F144 Y166	T98-Y125 HydrophobicContact CG2-CD2 3.61Å; T98-Y125 HydrophobicContact CG2-CE2 3.76Å; V99-Y125 PolarHBondContact O-N 2.87Å; L100-Y125 HydrophobicContact CD2-CD2 4.26Å; L100-Y125 HydrophobicContact CD2-CG 4.27Å; T101-Y125 WeakPolarHBondContact CB-O 3.33Å; T101-Y125 PolarHBondContact N-O 3.34Å; T101-Y125 PolarHBondContact OG1-O 2.93Å; K123-Y125 HydrophobicContact CB-CD2 4.13Å; K123-Y125 HydrophobicContact CB-CE2 3.59Å; K123-Y125 HydrophobicContact CD-CE2 4.24Å; Y125-K136 WeakPolarHBondContact CA-O 3.34Å; Y125-K136 HydrophobicContact CD1-CB 3.55Å; Y125-K136 HydrophobicContact CD1-CG 4.41Å; Y125-K136 HydrophobicContact CD2-CB 4.07Å; Y125-K136 HydrophobicContact CD2-CG 4.38Å; Y125-K136 HydrophobicContact CE1-CB 3.59Å; Y125-K136 HydrophobicContact CE1-CG 4.03Å; Y125-K136 HydrophobicContact CE2-CB 4.1Å; Y125-K136 HydrophobicContact CE2-CG 4Å; Y125-K136 HydrophobicContact CG-CB 3.81Å; Y125-V138 HydrophobicContact CD1-CG1 3.62Å; Y125-V138 HydrophobicContact CE1-CG1 4.12Å; Y125-F144 HydrophobicContact CD1-CD1 4.03Å; Y125-F144 AromaticContact CD1-CE1 3.68Å; Y125-F144 HydrophobicContact CD1-CE1 3.68Å; Y125-F144 AromaticContact CD1-CZ 3.99Å; Y125-F144 HydrophobicContact CD1-CZ 3.99Å; Y125-F144 HydrophobicContact CD2-CE2 4.45Å; Y125-F144 HydrophobicContact CD2-CZ 4.34Å; Y125-F144 AromaticContact CE1-CD1 3.56Å; Y125-F144 HydrophobicContact CE1-CD1 3.56Å; Y125-F144 HydrophobicContact CE1-CD2 4.15Å; Y125-F144 AromaticContact CE1-CE1 3.69Å; Y125-F144 HydrophobicContact CE1-CE1 3.69Å; Y125-F144 HydrophobicContact CE1-CE2 4.26Å; Y125-F144 AromaticContact CE1-CG 3.82Å; Y125-F144 HydrophobicContact CE1-CG 3.82Å; Y125-F144 HydrophobicContact CE1-CZ 4.04Å; Y125-F144 HydrophobicContact CE2-CD2 4.32Å; Y125-F144 HydrophobicContact CE2-CE2 4.12Å; Y125-F144 HydrophobicContact CE2-CZ 4.38Å; Y125-F144 HydrophobicContact CG-CE1 4.27Å; Y125-F144 HydrophobicContact CG-CZ 4.15Å; Y125-F144 AromaticContact CZ-CD2 3.84Å; Y125-F144 AromaticContact CZ-CG 3.91Å; Y125-Y166 PolarHBondContact O-OH 3.45Å
126	G	98.8	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	162.1	176.4	0	0	0	0	0	111.8	K136 K137 V138	G126-K136 PolarHBondContact N-O 2.91Å; G126-K137 WeakPolarHBondContact O-CA 3.37Å; G126-V138 WeakPolarHBondContact O-CG2 3.42Å; G126-V138 PolarHBondContact O-N 3.34Å
127	G	98.5	Very high	98.1	Very high	13 Å²	13	61.5 Å²	61.5	13%	0.134	33%	0.331	C	S	.	.	S	Bend	trans	-95.1	-3.9	179.7	0	0	0	0	0	115.3	G162	G127-G162 WeakPolarHBondContact CA-O 3.48Å
128	D	97.2	Very high	98.1	Very high	16 Å²	16	55 Å²	55	9%	0.086	30%	0.304	C	S	.	.	S	Bend	trans	-132.9	141.3	-167.3	-156	-54.5	0	0	0	110.6	H104 R130 V131 I134 G162	H104-D128 IonicContact ND1-OD2 2.73Å; D128-R130 PolarHBondContact O-N 3.22Å; D128-R130 VanDerWaalsContact OD1-CB 3.29Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 WeakPolarHBondContact OD1-CG 3.44Å; D128-R130 IonicContact OD1-CZ 3.27Å; D128-R130 PolarHBondContact OD1-N 3.41Å; D128-R130 IonicContact OD1-NE 3.97Å; D128-R130 PolarHBondContact OD1-NE 3.42Å; D128-R130 IonicContact OD1-NH2 3.76Å; D128-R130 IonicContact OD2-CZ 3.84Å; D128-R130 IonicContact OD2-NE 2.66Å; D128-R130 PolarHBondContact OD2-NE 2.88Å; D128-R130 IonicContact OD2-NH2 3.22Å; D128-R130 PolarHBondContact OD2-NH2 3.25Å; D128-V131 HydrophobicContact CB-CG2 4.17Å; D128-V131 WeakPolarHBondContact O-CB 3.36Å; D128-V131 PolarHBondContact O-N 2.67Å; D128-I134 WeakPolarHBondContact O-CD1 3.39Å; D128-G162 WeakPolarHBondContact OD2-CA 3.43Å
129	D	97.8	Very high	98.1	Very high	116 Å²	116	54.4 Å²	54.4	62%	0.62	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.6	175.3	-64.5	-39.4	0	0	0	112	V131 K137	D129-V131 PolarHBondContact O-N 2.79Å; D129-K137 VanDerWaalsContact OD1-CD 3.31Å; D129-K137 WeakPolarHBondContact OD1-CD 3.4Å; D129-K137 VanDerWaalsContact OD1-CE 3.27Å; D129-K137 WeakPolarHBondContact OD1-CE 3.46Å; D129-K137 IonicContact OD1-NZ 3.16Å; D129-K137 PolarHBondContact OD1-NZ 3.45Å; D129-K137 IonicContact OD2-NZ 2.69Å; D129-K137 PolarHBondContact OD2-NZ 3.17Å
130	R	98.6	Very high	98.1	Very high	102 Å²	102	56 Å²	56	39%	0.385	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.8	174.5	-61.6	173.6	-72	173.1	0.3	113.4	H104 D128 D132 T161 E195	H104-R130 HydrophobicContact CB-CB 3.63Å; H104-R130 PolarHBondContact CE1-NH1 2.85Å; H104-R130 PolarHBondContact CE1-NH2 2.8Å; H104-R130 PolarHBondContact NE2-NH1 3.32Å; D128-R130 PolarHBondContact O-N 3.22Å; D128-R130 VanDerWaalsContact OD1-CB 3.29Å; D128-R130 WeakPolarHBondContact OD1-CB 3.44Å; D128-R130 WeakPolarHBondContact OD1-CG 3.44Å; D128-R130 IonicContact OD1-CZ 3.27Å; D128-R130 PolarHBondContact OD1-N 3.41Å; D128-R130 IonicContact OD1-NE 3.97Å; D128-R130 PolarHBondContact OD1-NE 3.42Å; D128-R130 IonicContact OD1-NH2 3.76Å; D128-R130 IonicContact OD2-CZ 3.84Å; D128-R130 IonicContact OD2-NE 2.66Å; D128-R130 PolarHBondContact OD2-NE 2.88Å; D128-R130 IonicContact OD2-NH2 3.22Å; D128-R130 PolarHBondContact OD2-NH2 3.25Å; R130-D132 PolarHBondContact O-N 2.85Å; R130-T161 PolarHBondContact NH2-OG1 2.85Å; R130-E195 IonicContact CZ-OE1 3.94Å; R130-E195 IonicContact CZ-OE2 3.02Å; R130-E195 IonicContact NH1-OE1 3.77Å; R130-E195 PolarHBondContact NH1-OE1 2.55Å; R130-E195 IonicContact NH1-OE2 2.62Å; R130-E195 IonicContact NH2-OE1 2.59Å; R130-E195 IonicContact NH2-OE2 3.26Å; R130-E195 PolarHBondContact NH2-OE2 3.03Å
131	V	98.4	Very high	98.1	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	30%	0.295	C	S	.	.	S	Bend	trans	-71.5	117.6	173.9	167.9	0	0	0	0	109.5	T101 H104 V124 D128 D129 A133 I134	T101-V131 HydrophobicContact CG2-CG1 3.81Å; T101-V131 HydrophobicContact CG2-CG2 4.07Å; H104-V131 HydrophobicContact CB-CG2 4.31Å; V124-V131 HydrophobicContact CG1-CG1 4.38Å; D128-V131 HydrophobicContact CB-CG2 4.17Å; D128-V131 WeakPolarHBondContact O-CB 3.36Å; D128-V131 PolarHBondContact O-N 2.67Å; D129-V131 PolarHBondContact O-N 2.79Å; V131-A133 PolarHBondContact O-N 2.63Å; V131-I134 HydrophobicContact CB-CB 4.21Å; V131-I134 HydrophobicContact CB-CD1 4.26Å; V131-I134 HydrophobicContact CG1-CB 4.09Å; V131-I134 WeakPolarHBondContact O-CB 3.38Å; V131-I134 WeakPolarHBondContact O-CG2 3.43Å; V131-I134 PolarHBondContact O-N 3.29Å
132	D	95.2	Very high	98.2	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.6	178.3	-69.9	-22.5	0	0	0	112	N112 E113 R130 I134	N112-D132 HydrophobicContact CB-CB 4.11Å; N112-D132 WeakPolarHBondContact CB-O 3.45Å; N112-D132 PolarHBondContact ND2-O 2.94Å; E113-D132 HydrophobicContact CG-CB 4.25Å; R130-D132 PolarHBondContact O-N 2.85Å; D132-I134 PolarHBondContact O-N 2.97Å; D132-I134 VanDerWaalsContact O-N 3.12Å
133	A	98	Very high	98.2	Very high	34 Å²	34	56.9 Å²	56.9	28%	0.281	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	23.8	-179.9	0	0	0	0	0	115.7	N112 E113 V116 V124 V131 T135	N112-A133 HydrophobicContact CB-CB 4.27Å; E113-A133 HydrophobicContact CG-CB 4.3Å; V116-A133 HydrophobicContact CG1-CB 4.29Å; V116-A133 HydrophobicContact CG2-CB 4Å; V124-A133 VanDerWaalsContact CB-O 3.28Å; V124-A133 WeakPolarHBondContact CB-O 3.35Å; V124-A133 WeakPolarHBondContact CG2-O 3.34Å; V131-A133 PolarHBondContact O-N 2.63Å; A133-T135 PolarHBondContact O-N 3.27Å
134	I	98.3	Very high	98.2	Very high	45 Å²	45	53.5 Å²	53.5	23%	0.231	29%	0.287	C	S	.	.			trans	-56.5	131.2	178.5	-167.1	169.9	0	0	0	111.9	D128 V131 D132 K137	D128-I134 WeakPolarHBondContact O-CD1 3.39Å; V131-I134 HydrophobicContact CB-CB 4.21Å; V131-I134 HydrophobicContact CB-CD1 4.26Å; V131-I134 HydrophobicContact CG1-CB 4.09Å; V131-I134 WeakPolarHBondContact O-CB 3.38Å; V131-I134 WeakPolarHBondContact O-CG2 3.43Å; V131-I134 PolarHBondContact O-N 3.29Å; D132-I134 PolarHBondContact O-N 2.97Å; D132-I134 VanDerWaalsContact O-N 3.12Å; I134-K137 HydrophobicContact CD1-CB 4.01Å; I134-K137 HydrophobicContact CD1-CG 4.23Å
135	T	98.4	Very high	98.2	Very high	79 Å²	79	58.7 Å²	58.7	49%	0.485	31%	0.309	S	S	.	.	S	Bend	trans	-122.9	-14.1	175	60.9	0	0	0	0	113	V124 A133	V124-T135 PolarHBondContact N-OG1 3.39Å; V124-T135 PolarHBondContact O-N 3.42Å; A133-T135 PolarHBondContact O-N 3.27Å
136	K	98.6	Very high	98.1	Very high	99 Å²	99	57.5 Å²	57.5	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	84.7	178.8	-62.9	-63.5	172.1	-166.4	0	110.4	K123 V124 Y125 G126 V138	K123-K136 HydrophobicContact CB-CG 4.24Å; V124-K136 PolarHBondContact O-N 3.29Å; Y125-K136 WeakPolarHBondContact CA-O 3.34Å; Y125-K136 HydrophobicContact CD1-CB 3.55Å; Y125-K136 HydrophobicContact CD1-CG 4.41Å; Y125-K136 HydrophobicContact CD2-CB 4.07Å; Y125-K136 HydrophobicContact CD2-CG 4.38Å; Y125-K136 HydrophobicContact CE1-CB 3.59Å; Y125-K136 HydrophobicContact CE1-CG 4.03Å; Y125-K136 HydrophobicContact CE2-CB 4.1Å; Y125-K136 HydrophobicContact CE2-CG 4Å; Y125-K136 HydrophobicContact CG-CB 3.81Å; G126-K136 PolarHBondContact N-O 2.91Å; K136-V138 PolarHBondContact O-N 3.37Å
137	K	98.5	Very high	98.1	Very high	113 Å²	113	58.9 Å²	58.9	49%	0.491	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.8	170.4	-165.3	177.2	-171.1	176.2	0	110.4	G126 D129 I134	G126-K137 WeakPolarHBondContact O-CA 3.37Å; D129-K137 VanDerWaalsContact OD1-CD 3.31Å; D129-K137 WeakPolarHBondContact OD1-CD 3.4Å; D129-K137 VanDerWaalsContact OD1-CE 3.27Å; D129-K137 WeakPolarHBondContact OD1-CE 3.46Å; D129-K137 IonicContact OD1-NZ 3.16Å; D129-K137 PolarHBondContact OD1-NZ 3.45Å; D129-K137 IonicContact OD2-NZ 2.69Å; D129-K137 PolarHBondContact OD2-NZ 3.17Å; I134-K137 HydrophobicContact CD1-CB 4.01Å; I134-K137 HydrophobicContact CD1-CG 4.23Å
138	V	98.6	Very high	98	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.085	32%	0.319	C	S	.	.			trans	-124	157.9	-179.3	-70.6	0	0	0	0	111.7	Y125 G126 K136 N142 C153 I164	Y125-V138 HydrophobicContact CD1-CG1 3.62Å; Y125-V138 HydrophobicContact CE1-CG1 4.12Å; G126-V138 WeakPolarHBondContact O-CG2 3.42Å; G126-V138 PolarHBondContact O-N 3.34Å; K136-V138 PolarHBondContact O-N 3.37Å; V138-N142 WeakPolarHBondContact CA-OD1 3.18Å; V138-N142 HydrophobicContact CB-CB 4.21Å; V138-N142 HydrophobicContact CG1-CB 4.24Å; V138-C153 HydrophobicContact CB-CB 4.33Å; V138-C153 HydrophobicContact CG2-CB 4.22Å; V138-I164 HydrophobicContact CG2-CD1 4.48Å; V138-I164 HydrophobicContact CG2-CG1 4.32Å
139	S	97.8	Very high	98.1	Very high	66 Å²	66	58.5 Å²	58.5	46%	0.462	32%	0.315	S	S	.	.			trans	-128.8	-179.2	176.1	66.4	0	0	0	0	110.7	S141 N142	S139-S141 PolarHBondContact O-N 3.3Å; S139-N142 PolarHBondContact N-OD1 3.16Å; S139-N142 PolarHBondContact O-N 2.52Å; S139-N142 PolarHBondContact OG-OD1 2.82Å
140	H	98.3	Very high	98.1	Very high	86 Å²	86	54 Å²	54	40%	0.398	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.3	-178.6	-166.6	77.6	0	0	0	111.9	N142 F155	H140-N142 PolarHBondContact O-N 3.3Å; H140-F155 HydrophobicContact CB-CB 3.59Å; H140-F155 PolarHBondContact ND1-N 3.23Å; H140-F155 VanDerWaalsContact ND1-N 3.19Å
141	S	97.8	Very high	98.1	Very high	51 Å²	51	49.2 Å²	49.2	36%	0.357	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	7.8	179	-67.2	0	0	0	0	116.4	S139 T143 K152 C153	S139-S141 PolarHBondContact O-N 3.3Å; S141-T143 PolarHBondContact O-N 2.83Å; S141-K152 WeakPolarHBondContact OG-CE 3.42Å; S141-C153 WeakPolarHBondContact CA-O 3.38Å; S141-C153 PolarHBondContact N-O 2.52Å
142	N	98.5	Very high	98.1	Very high	65 Å²	65	53 Å²	53	35%	0.348	29%	0.291	S	S	.	.			trans	-59	139.5	164.1	-73.8	161.3	0	0	0	110.6	V138 S139 H140 C153	V138-N142 WeakPolarHBondContact CA-OD1 3.18Å; V138-N142 HydrophobicContact CB-CB 4.21Å; V138-N142 HydrophobicContact CG1-CB 4.24Å; S139-N142 PolarHBondContact N-OD1 3.16Å; S139-N142 PolarHBondContact O-N 2.52Å; S139-N142 PolarHBondContact OG-OD1 2.82Å; H140-N142 PolarHBondContact O-N 3.3Å; N142-C153 HydrophobicContact CB-CB 4.35Å; N142-C153 PolarHBondContact O-N 3.36Å; N142-C153 PolarHBondContact O-SG 3.14Å
143	T	98.5	Very high	98.3	Very high	107 Å²	107	50 Å²	50	66%	0.656	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	178.9	56.2	0	0	0	0	111	S141 V151 K152	S141-T143 PolarHBondContact O-N 2.83Å; T143-V151 VanDerWaalsContact CA-O 3.23Å; T143-V151 WeakPolarHBondContact CA-O 3.33Å; T143-K152 HydrophobicContact CG2-CB 4.09Å; T143-K152 HydrophobicContact CG2-CG 4.02Å
144	F	98.7	Very high	98.4	Very high	29 Å²	29	48.7 Å²	48.7	13%	0.127	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	171.4	171.2	61.7	-84.5	0	0	0	109.8	T98 L100 Y125 V151	T98-F144 HydrophobicContact CG2-CE2 4.3Å; L100-F144 HydrophobicContact CD2-CE2 4.12Å; L100-F144 HydrophobicContact CD2-CZ 3.54Å; Y125-F144 HydrophobicContact CD1-CD1 4.03Å; Y125-F144 AromaticContact CD1-CE1 3.68Å; Y125-F144 HydrophobicContact CD1-CE1 3.68Å; Y125-F144 AromaticContact CD1-CZ 3.99Å; Y125-F144 HydrophobicContact CD1-CZ 3.99Å; Y125-F144 HydrophobicContact CD2-CE2 4.45Å; Y125-F144 HydrophobicContact CD2-CZ 4.34Å; Y125-F144 AromaticContact CE1-CD1 3.56Å; Y125-F144 HydrophobicContact CE1-CD1 3.56Å; Y125-F144 HydrophobicContact CE1-CD2 4.15Å; Y125-F144 AromaticContact CE1-CE1 3.69Å; Y125-F144 HydrophobicContact CE1-CE1 3.69Å; Y125-F144 HydrophobicContact CE1-CE2 4.26Å; Y125-F144 AromaticContact CE1-CG 3.82Å; Y125-F144 HydrophobicContact CE1-CG 3.82Å; Y125-F144 HydrophobicContact CE1-CZ 4.04Å; Y125-F144 HydrophobicContact CE2-CD2 4.32Å; Y125-F144 HydrophobicContact CE2-CE2 4.12Å; Y125-F144 HydrophobicContact CE2-CZ 4.38Å; Y125-F144 HydrophobicContact CG-CE1 4.27Å; Y125-F144 HydrophobicContact CG-CZ 4.15Å; Y125-F144 AromaticContact CZ-CD2 3.84Å; Y125-F144 AromaticContact CZ-CG 3.91Å; F144-V151 HydrophobicContact CD1-CB 4.34Å; F144-V151 HydrophobicContact CD2-CB 4.25Å; F144-V151 HydrophobicContact CD2-CG2 4.48Å; F144-V151 HydrophobicContact CE1-CB 3.9Å; F144-V151 HydrophobicContact CE1-CG1 3.73Å; F144-V151 HydrophobicContact CE2-CB 3.81Å; F144-V151 HydrophobicContact CE2-CG1 4.15Å; F144-V151 HydrophobicContact CE2-CG2 3.91Å; F144-V151 HydrophobicContact CG-CB 4.49Å; F144-V151 HydrophobicContact CZ-CB 3.61Å; F144-V151 HydrophobicContact CZ-CG1 3.47Å; F144-V151 VanDerWaalsContact CZ-CG1 3.47Å; F144-V151 HydrophobicContact CZ-CG2 4.09Å; F144-V151 PolarHBondContact N-O 3.02Å; F144-V151 PolarHBondContact O-N 2.99Å
145	K	98.4	Very high	98.4	Very high	108 Å²	108	50 Å²	50	47%	0.47	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.2	178.7	-64.8	-70.5	-174.7	171.7	0	111.1	L149 S150 E171	K145-L149 VanDerWaalsContact CA-O 3.31Å; K145-L149 WeakPolarHBondContact CA-O 3.41Å; K145-L149 WeakPolarHBondContact CD-O 3.45Å; K145-S150 PolarHBondContact NZ-OG 2.62Å; K145-E171 IonicContact NZ-OE1 3.88Å; K145-E171 PolarHBondContact NZ-OE1 2.69Å
146	L	98.3	Very high	98.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	99.8	163	172	66.5	0	0	0	106.6	L66 E73 A75 S148 L149 V151	L66-L146 HydrophobicContact CD2-CD2 3.63Å; L66-L146 HydrophobicContact CG-CD2 3.82Å; E73-L146 HydrophobicContact CB-CD1 4.2Å; A75-L146 HydrophobicContact CB-CD1 4.08Å; A75-L146 HydrophobicContact CB-CD2 3.56Å; A75-L146 HydrophobicContact CB-CG 4.44Å; L146-S148 PolarHBondContact O-N 2.82Å; L146-L149 HydrophobicContact CB-CB 4.47Å; L146-L149 HydrophobicContact CD2-CD1 4.38Å; L146-L149 PolarHBondContact N-O 3.18Å; L146-L149 WeakPolarHBondContact O-CB 3.36Å; L146-L149 PolarHBondContact O-N 2.88Å; L146-V151 HydrophobicContact CB-CG2 4.24Å
147	G	97.6	Very high	98.4	Very high	28 Å²	28	42.7 Å²	42.7	29%	0.289	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-116.2	-164.9	0	0	0	0	0	111.4	S71 E73	S71-G147 WeakPolarHBondContact OG-CA 3.4Å; E73-G147 PolarHBondContact OE2-N 3.11Å
148	S	97.2	Very high	98.4	Very high	22 Å²	22	37.3 Å²	37.3	15%	0.154	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.2	-179.8	91.7	0	0	0	0	114.6	D68 L146 K170	D68-S148 VanDerWaalsContact CG-OG 3.24Å; D68-S148 PolarHBondContact OD1-OG 3.22Å; D68-S148 WeakPolarHBondContact OD2-CB 3.22Å; D68-S148 PolarHBondContact OD2-N 3.05Å; D68-S148 PolarHBondContact OD2-OG 3.38Å; L146-S148 PolarHBondContact O-N 2.82Å; S148-K170 PolarHBondContact OG-NZ 3.2Å
149	L	98.3	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.4	-179.6	-56.7	176.6	0	0	0	111.5	M50 L66 D68 K145 L146 V168 K170	M50-L149 HydrophobicContact CB-CD1 4.42Å; M50-L149 HydrophobicContact CB-CD2 4.27Å; M50-L149 HydrophobicContact CG-CD1 4Å; M50-L149 HydrophobicContact SD-CD1 4.13Å; L66-L149 HydrophobicContact CD1-CD1 4.13Å; L66-L149 HydrophobicContact CG-CD1 4.4Å; D68-L149 HydrophobicContact CB-CD1 3.85Å; D68-L149 HydrophobicContact CB-CG 3.87Å; K145-L149 VanDerWaalsContact CA-O 3.31Å; K145-L149 WeakPolarHBondContact CA-O 3.41Å; K145-L149 WeakPolarHBondContact CD-O 3.45Å; L146-L149 HydrophobicContact CB-CB 4.47Å; L146-L149 HydrophobicContact CD2-CD1 4.38Å; L146-L149 PolarHBondContact N-O 3.18Å; L146-L149 WeakPolarHBondContact O-CB 3.36Å; L146-L149 PolarHBondContact O-N 2.88Å; L149-V168 HydrophobicContact CB-CG1 4.11Å; L149-V168 HydrophobicContact CD1-CG1 4.14Å; L149-K170 HydrophobicContact CD2-CB 3.95Å; L149-K170 HydrophobicContact CD2-CD 4.17Å
150	S	98.5	Very high	98.5	Very high	21 Å²	21	33.7 Å²	33.7	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.4	171.6	-70.1	0	0	0	0	110.1	K145 V168 T169 E171	K145-S150 PolarHBondContact NZ-OG 2.62Å; S150-V168 WeakPolarHBondContact O-CA 3.42Å; S150-T169 PolarHBondContact N-O 2.97Å; S150-T169 PolarHBondContact O-N 3.43Å; S150-E171 PolarHBondContact OG-OE1 3.36Å
151	V	98.8	Very high	98.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.8	173.8	-173.3	0	0	0	0	109.2	T143 F144 L146 Y166 Y167 V168	T143-V151 VanDerWaalsContact CA-O 3.23Å; T143-V151 WeakPolarHBondContact CA-O 3.33Å; F144-V151 HydrophobicContact CD1-CB 4.34Å; F144-V151 HydrophobicContact CD2-CB 4.25Å; F144-V151 HydrophobicContact CD2-CG2 4.48Å; F144-V151 HydrophobicContact CE1-CB 3.9Å; F144-V151 HydrophobicContact CE1-CG1 3.73Å; F144-V151 HydrophobicContact CE2-CB 3.81Å; F144-V151 HydrophobicContact CE2-CG1 4.15Å; F144-V151 HydrophobicContact CE2-CG2 3.91Å; F144-V151 HydrophobicContact CG-CB 4.49Å; F144-V151 HydrophobicContact CZ-CB 3.61Å; F144-V151 HydrophobicContact CZ-CG1 3.47Å; F144-V151 VanDerWaalsContact CZ-CG1 3.47Å; F144-V151 HydrophobicContact CZ-CG2 4.09Å; F144-V151 PolarHBondContact N-O 3.02Å; F144-V151 PolarHBondContact O-N 2.99Å; L146-V151 HydrophobicContact CB-CG2 4.24Å; V151-Y166 HydrophobicContact CG1-CD1 3.99Å; V151-Y167 CarbonylContact C-O 3.4Å; V151-Y167 WeakPolarHBondContact CA-O 3.4Å; V151-V168 HydrophobicContact CG1-CG2 4.33Å; V151-V168 HydrophobicContact CG2-CG2 4.16Å
152	K	98.9	Very high	98.5	Very high	82 Å²	82	30.6 Å²	30.6	36%	0.357	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	173	-176.1	176.9	-178.7	-179.8	0	109.8	S141 T143 L154 Y167	S141-K152 WeakPolarHBondContact OG-CE 3.42Å; T143-K152 HydrophobicContact CG2-CB 4.09Å; T143-K152 HydrophobicContact CG2-CG 4.02Å; K152-L154 HydrophobicContact CD-CD2 4.12Å; K152-L154 HydrophobicContact CG-CD2 4.12Å; K152-Y167 HydrophobicContact CB-CD1 4.37Å; K152-Y167 PolarHBondContact N-O 3.18Å; K152-Y167 PolarHBondContact O-N 3.35Å
153	C	98.9	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.1	177.4	-53.3	0	0	0	0	109.7	V138 S141 N142 I164	V138-C153 HydrophobicContact CB-CB 4.33Å; V138-C153 HydrophobicContact CG2-CB 4.22Å; S141-C153 WeakPolarHBondContact CA-O 3.38Å; S141-C153 PolarHBondContact N-O 2.52Å; N142-C153 HydrophobicContact CB-CB 4.35Å; N142-C153 PolarHBondContact O-N 3.36Å; N142-C153 PolarHBondContact O-SG 3.14Å; C153-I164 HydrophobicContact CB-CG2 3.91Å
154	L	98.9	Very high	98.6	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	106	178.9	-57.5	179	0	0	0	108.5	K152 T156 I164 C165 I208 L209 L212	K152-L154 HydrophobicContact CD-CD2 4.12Å; K152-L154 HydrophobicContact CG-CD2 4.12Å; L154-T156 PolarHBondContact O-N 2.79Å; L154-I164 WeakPolarHBondContact O-CA 3.16Å; L154-C165 HydrophobicContact CB-CB 4.16Å; L154-C165 PolarHBondContact N-O 3.09Å; L154-C165 PolarHBondContact O-N 3.48Å; L154-I208 HydrophobicContact CB-CG2 3.96Å; L154-I208 HydrophobicContact CD1-CG2 4.27Å; L154-I208 HydrophobicContact CD2-CG2 4.4Å; L154-I208 HydrophobicContact CG-CG2 4.45Å; L154-L209 HydrophobicContact CD1-CD2 4.07Å; L154-L212 HydrophobicContact CD1-CD1 3.87Å; L154-L212 HydrophobicContact CD1-CD2 4.18Å; L154-L212 HydrophobicContact CD1-CG 4.43Å
155	F	98.8	Very high	98.6	Very high	72 Å²	72	21 Å²	21	32%	0.316	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.1	176	-175.2	-130.6	0	0	0	111.5	H140 P157 T161 H163 I164 I208	H140-F155 HydrophobicContact CB-CB 3.59Å; H140-F155 PolarHBondContact ND1-N 3.23Å; H140-F155 VanDerWaalsContact ND1-N 3.19Å; F155-P157 VanDerWaalsContact C-CD 3.5Å; F155-P157 HydrophobicContact CD1-CG 4.09Å; F155-P157 HydrophobicContact CE1-CB 4.16Å; F155-P157 HydrophobicContact CE1-CG 3.61Å; F155-P157 HydrophobicContact CE2-CB 4.06Å; F155-P157 HydrophobicContact CE2-CG 4.25Å; F155-P157 HydrophobicContact CZ-CB 3.7Å; F155-P157 HydrophobicContact CZ-CG 3.7Å; F155-T161 WeakPolarHBondContact CE2-O 3.32Å; F155-T161 WeakPolarHBondContact CZ-O 3.46Å; F155-H163 VanDerWaalsContact CD2-O 3.32Å; F155-H163 WeakPolarHBondContact CD2-O 3.36Å; F155-I164 HydrophobicContact CB-CD1 4.12Å; F155-I164 HydrophobicContact CD2-CD1 3.9Å; F155-I164 HydrophobicContact CG-CD1 4.49Å; F155-I208 WeakPolarHBondContact O-CD1 3.39Å
156	T	98.8	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.			trans	-132.2	59.2	-172.9	46	0	0	0	0	110.5	L154 C158 H163 C165 T184 A204 I208 L209	L154-T156 PolarHBondContact O-N 2.79Å; T156-C158 PolarHBondContact O-N 3.11Å; T156-H163 PolarHBondContact N-O 3.26Å; T156-H163 PolarHBondContact OG1-ND1 2.85Å; T156-C165 PolarHBondContact OG1-SG 3.38Å; T156-T184 HydrophobicContact CG2-CG2 4.37Å; T156-T184 PolarHBondContact O-OG1 3.45Å; T156-T184 PolarHBondContact OG1-OG1 3.15Å; T156-A204 HydrophobicContact CG2-CB 3.88Å; T156-I208 HydrophobicContact CG2-CD1 4.46Å; T156-I208 HydrophobicContact CG2-CG2 4.11Å; T156-L209 HydrophobicContact CG2-CG 4.44Å
157	P	98.8	Very high	98.6	Very high	25 Å²	25	17.3 Å²	17.3	16%	0.162	10%	0.098	C	C	.	.			trans	-61.5	132.7	-178.2	28.8	-35.6	0	0	0	109.7	F155 T160 Q200	F155-P157 VanDerWaalsContact C-CD 3.5Å; F155-P157 HydrophobicContact CD1-CG 4.09Å; F155-P157 HydrophobicContact CE1-CB 4.16Å; F155-P157 HydrophobicContact CE1-CG 3.61Å; F155-P157 HydrophobicContact CE2-CB 4.06Å; F155-P157 HydrophobicContact CE2-CG 4.25Å; F155-P157 HydrophobicContact CZ-CB 3.7Å; F155-P157 HydrophobicContact CZ-CG 3.7Å; P157-T160 WeakPolarHBondContact CA-O 3.43Å; P157-Q200 WeakPolarHBondContact O-CB 3.31Å
158	C	98.8	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	178.8	-60.8	162.6	-179.8	0	0	0	0	109.2	T156 T160 F193 E195 G196 T197 Q200 M201	T156-C158 PolarHBondContact O-N 3.11Å; C158-T160 VanDerWaalsContact C-N 3.3Å; C158-T160 PolarHBondContact N-O 3.28Å; C158-T160 PolarHBondContact O-N 2.92Å; C158-F193 WeakPolarHBondContact SG-CD1 3.32Å; C158-F193 WeakPolarHBondContact SG-CG 3.5Å; C158-E195 CarbonylContact O-C 3.57Å; C158-E195 PolarHBondContact O-N 2.6Å; C158-G196 WeakPolarHBondContact O-CA 3.42Å; C158-G196 PolarHBondContact O-N 3.01Å; C158-G196 VanDerWaalsContact O-N 3.09Å; C158-T197 PolarHBondContact SG-O 2.98Å; C158-Q200 HydrophobicContact CB-CB 4.13Å; C158-M201 HydrophobicContact CB-CB 4.2Å; C158-M201 HydrophobicContact CB-CE 3.88Å; C158-M201 HydrophobicContact CB-SD 4.46Å
159	H	98.8	Very high	98.7	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	9%	0.088	C	C	.	.	S	Bend	trans	-57.4	-49.7	175.5	178.3	70.9	0	0	0	110.5	H103 H105 D183 K192 F194 E195	H103-H159 AromaticContact CD2-CD2 3.72Å; H103-H159 AromaticContact CD2-NE2 3.94Å; H103-H159 AromaticContact NE2-CD2 3.55Å; H103-H159 AromaticContact NE2-NE2 3.42Å; H103-H159 PolarHBondContact NE2-NE2 3.25Å; H105-H159 AromaticContact CE1-CD2 3.77Å; H105-H159 AromaticContact CE1-CE1 3.76Å; H105-H159 AromaticContact CE1-NE2 3.1Å; H105-H159 PolarHBondContact CE1-NE2 2.7Å; H105-H159 AromaticContact ND1-CD2 3.8Å; H105-H159 AromaticContact ND1-CE1 3.94Å; H105-H159 AromaticContact ND1-NE2 3.01Å; H105-H159 PolarHBondContact ND1-NE2 3.15Å; H159-D183 WeakPolarHBondContact CD2-CB 3.26Å; H159-D183 IonicContact CE1-OD2 3.77Å; H159-D183 WeakPolarHBondContact NE2-CB 3.08Å; H159-D183 IonicContact NE2-OD2 3.58Å; H159-K192 WeakPolarHBondContact CA-O 3.36Å; H159-K192 PolarHBondContact ND1-O 3.45Å; H159-F194 AromaticContact CE1-CD2 3.41Å; H159-F194 VanDerWaalsContact CE1-CD2 3.41Å; H159-F194 WeakPolarHBondContact CE1-CD2 3.38Å; H159-F194 AromaticContact CE1-CE2 3.51Å; H159-F194 AromaticContact ND1-CD2 3.65Å; H159-F194 WeakPolarHBondContact O-CB 3.47Å; H159-E195 PolarHBondContact O-N 3.37Å
160	T	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-129.1	156.4	160.9	63	0	0	0	0	109.3	H103 H105 P157 C158 G162 H163 E195	H103-T160 HydrophobicContact CB-CG2 4.31Å; H103-T160 VanDerWaalsContact CB-OG1 3.31Å; H103-T160 WeakPolarHBondContact CB-OG1 3.37Å; H105-T160 VanDerWaalsContact CE1-CG2 3.49Å; H105-T160 WeakPolarHBondContact CE1-CG2 3.43Å; P157-T160 WeakPolarHBondContact CA-O 3.43Å; C158-T160 VanDerWaalsContact C-N 3.3Å; C158-T160 PolarHBondContact N-O 3.28Å; C158-T160 PolarHBondContact O-N 2.92Å; T160-G162 VanDerWaalsContact C-N 3.27Å; T160-G162 PolarHBondContact O-N 3.08Å; T160-H163 PolarHBondContact O-N 3.11Å; T160-E195 WeakPolarHBondContact CA-OE2 3.34Å
161	T	98.5	Very high	98.3	Very high	66 Å²	66	23.7 Å²	23.7	41%	0.405	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.3	178.6	45.9	0	0	0	0	113.9	R130 F155 E195	R130-T161 PolarHBondContact NH2-OG1 2.85Å; F155-T161 WeakPolarHBondContact CE2-O 3.32Å; F155-T161 WeakPolarHBondContact CZ-O 3.46Å; T161-E195 HydrophobicContact CG2-CB 3.84Å; T161-E195 WeakPolarHBondContact CG2-O 3.35Å; T161-E195 PolarHBondContact N-OE2 3.43Å; T161-E195 PolarHBondContact OG1-OE2 2.99Å
162	G	98.4	Very high	97.8	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	15.8	179.8	0	0	0	0	0	115.7	G127 D128 T160	G127-G162 WeakPolarHBondContact CA-O 3.48Å; D128-G162 WeakPolarHBondContact OD2-CA 3.43Å; T160-G162 VanDerWaalsContact C-N 3.27Å; T160-G162 PolarHBondContact O-N 3.08Å
163	H	98.9	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.			trans	-68	132.4	-171.6	-163.3	-64.3	0	0	0	112.7	T102 H103 F155 T156 T160 T181 D183 T184	T102-H163 WeakPolarHBondContact O-CA 3.13Å; H103-H163 HydrophobicContact CB-CB 4.41Å; H103-H163 AromaticContact CG-CD2 3.71Å; H103-H163 AromaticContact ND1-CD2 3.79Å; H103-H163 AromaticContact ND1-NE2 3.69Å; F155-H163 VanDerWaalsContact CD2-O 3.32Å; F155-H163 WeakPolarHBondContact CD2-O 3.36Å; T156-H163 PolarHBondContact N-O 3.26Å; T156-H163 PolarHBondContact OG1-ND1 2.85Å; T160-H163 PolarHBondContact O-N 3.11Å; H163-T181 PolarHBondContact CE1-O 2.9Å; H163-D183 PolarHBondContact NE2-N 3.46Å; H163-D183 VanDerWaalsContact NE2-N 3.18Å; H163-T184 PolarHBondContact CE1-OG1 3.04Å; H163-T184 VanDerWaalsContact CE1-OG1 3.28Å; H163-T184 PolarHBondContact ND1-OG1 2.98Å; H163-T184 VanDerWaalsContact ND1-OG1 3.08Å
164	I	98.9	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.4	176.4	-58.7	-71.1	0	0	0	109.8	T102 V138 C153 L154 F155 Y166	T102-I164 WeakPolarHBondContact CA-O 3.14Å; T102-I164 PolarHBondContact O-N 3.27Å; V138-I164 HydrophobicContact CG2-CD1 4.48Å; V138-I164 HydrophobicContact CG2-CG1 4.32Å; C153-I164 HydrophobicContact CB-CG2 3.91Å; L154-I164 WeakPolarHBondContact O-CA 3.16Å; F155-I164 HydrophobicContact CB-CD1 4.12Å; F155-I164 HydrophobicContact CD2-CD1 3.9Å; F155-I164 HydrophobicContact CG-CD1 4.49Å; I164-Y166 HydrophobicContact CB-CE2 4.41Å; I164-Y166 HydrophobicContact CG2-CD1 4.07Å; I164-Y166 HydrophobicContact CG2-CD2 4.41Å; I164-Y166 HydrophobicContact CG2-CE1 3.71Å; I164-Y166 HydrophobicContact CG2-CE2 4.07Å; I164-Y166 HydrophobicContact CG2-CG 4.41Å
165	C	98.9	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.5	160.7	-61.7	0	0	0	0	110.2	L154 T156 V179 F180 T181 L209	L154-C165 HydrophobicContact CB-CB 4.16Å; L154-C165 PolarHBondContact N-O 3.09Å; L154-C165 PolarHBondContact O-N 3.48Å; T156-C165 PolarHBondContact OG1-SG 3.38Å; C165-V179 HydrophobicContact CB-CG2 4.18Å; C165-F180 CarbonylContact C-O 3.58Å; C165-F180 WeakPolarHBondContact CA-O 3.37Å; C165-F180 WeakPolarHBondContact CB-O 3.27Å; C165-T181 VanDerWaalsContact SG-CA 3.59Å; C165-L209 HydrophobicContact CB-CD2 4.02Å
166	Y	98.9	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.1	178.9	-62.1	-81.6	0	0	0	110.4	L100 T101 T102 Y125 V151 I164 V179 F180	L100-Y166 HydrophobicContact CB-CD1 4.49Å; L100-Y166 HydrophobicContact CB-CD2 3.87Å; L100-Y166 HydrophobicContact CB-CE1 4.37Å; L100-Y166 HydrophobicContact CB-CE2 3.73Å; L100-Y166 HydrophobicContact CB-CG 4.24Å; L100-Y166 HydrophobicContact CD1-CD1 4.35Å; L100-Y166 HydrophobicContact CD1-CD2 4.48Å; L100-Y166 HydrophobicContact CD1-CG 4.12Å; L100-Y166 HydrophobicContact CD2-CD1 4.21Å; L100-Y166 HydrophobicContact CD2-CE1 4.07Å; T101-Y166 PolarHBondContact N-OH 2.88Å; T101-Y166 PolarHBondContact O-OH 2.93Å; T102-Y166 HydrophobicContact CG2-CD2 4.31Å; T102-Y166 HydrophobicContact CG2-CE2 4.3Å; Y125-Y166 PolarHBondContact O-OH 3.45Å; V151-Y166 HydrophobicContact CG1-CD1 3.99Å; I164-Y166 HydrophobicContact CB-CE2 4.41Å; I164-Y166 HydrophobicContact CG2-CD1 4.07Å; I164-Y166 HydrophobicContact CG2-CD2 4.41Å; I164-Y166 HydrophobicContact CG2-CE1 3.71Å; I164-Y166 HydrophobicContact CG2-CE2 4.07Å; I164-Y166 HydrophobicContact CG2-CG 4.41Å; Y166-V179 WeakPolarHBondContact O-CA 2.99Å; Y166-F180 PolarHBondContact N-O 2.92Å; Y166-F180 PolarHBondContact O-N 2.87Å
167	Y	98.9	Very high	96.6	Very high	30 Å²	30	35.4 Å²	35.4	12%	0.118	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.8	176.4	176.6	-116.8	0	0	0	110.3	V151 K152 T169 P177 A178 V179 L212 P213 T216	V151-Y167 CarbonylContact C-O 3.4Å; V151-Y167 WeakPolarHBondContact CA-O 3.4Å; K152-Y167 HydrophobicContact CB-CD1 4.37Å; K152-Y167 PolarHBondContact N-O 3.18Å; K152-Y167 PolarHBondContact O-N 3.35Å; Y167-T169 HydrophobicContact CD1-CG2 4.09Å; Y167-T169 HydrophobicContact CE1-CG2 3.33Å; Y167-T169 HydrophobicContact CE2-CG2 4.18Å; Y167-T169 WeakPolarHBondContact OH-CG2 3.48Å; Y167-P177 HydrophobicContact CD2-CB 4.35Å; Y167-P177 HydrophobicContact CE2-CB 3.38Å; Y167-P177 HydrophobicContact CE2-CG 4.13Å; Y167-P177 WeakPolarHBondContact OH-CB 3.43Å; Y167-P177 VanDerWaalsContact OH-CG 3.26Å; Y167-P177 WeakPolarHBondContact OH-CG 3.47Å; Y167-A178 CarbonylContact C-O 3.55Å; Y167-A178 WeakPolarHBondContact CA-O 3.24Å; Y167-A178 WeakPolarHBondContact CD2-O 3.4Å; Y167-V179 HydrophobicContact CD2-CB 4.27Å; Y167-L212 HydrophobicContact CD1-CD2 4.1Å; Y167-L212 HydrophobicContact CD2-CD1 3.78Å; Y167-L212 HydrophobicContact CD2-CD2 4.04Å; Y167-L212 HydrophobicContact CD2-CG 4.44Å; Y167-L212 HydrophobicContact CE1-CD2 4.15Å; Y167-L212 HydrophobicContact CE2-CB 4.48Å; Y167-L212 HydrophobicContact CE2-CD1 4.18Å; Y167-L212 HydrophobicContact CE2-CD2 4.06Å; Y167-L212 HydrophobicContact CE2-CG 4.48Å; Y167-L212 HydrophobicContact CG-CD1 4.28Å; Y167-L212 HydrophobicContact CG-CD2 4.04Å; Y167-P213 WeakPolarHBondContact OH-CD 3.23Å; Y167-T216 HydrophobicContact CD2-CG2 4.13Å; Y167-T216 HydrophobicContact CE2-CG2 3.84Å
168	V	98.8	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	-171.8	-173.1	0	0	0	0	110.2	M50 L66 L149 S150 V151 P177 A178 F180	M50-V168 HydrophobicContact SD-CB 4.34Å; M50-V168 HydrophobicContact SD-CG1 3.74Å; L66-V168 HydrophobicContact CD1-CG1 4.5Å; L66-V168 HydrophobicContact CD2-CG1 4.11Å; L66-V168 HydrophobicContact CD2-CG2 3.91Å; L149-V168 HydrophobicContact CB-CG1 4.11Å; L149-V168 HydrophobicContact CD1-CG1 4.14Å; S150-V168 WeakPolarHBondContact O-CA 3.42Å; V151-V168 HydrophobicContact CG1-CG2 4.33Å; V151-V168 HydrophobicContact CG2-CG2 4.16Å; V168-P177 WeakPolarHBondContact O-CA 3.42Å; V168-A178 PolarHBondContact N-O 2.77Å; V168-A178 PolarHBondContact O-N 3.47Å; V168-F180 HydrophobicContact CG2-CD2 4.11Å; V168-F180 HydrophobicContact CG2-CE2 3.8Å
169	T	98.2	Very high	96.6	Very high	39 Å²	39	34.2 Å²	34.2	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.9	177.8	59.8	0	0	0	0	111.1	S150 Y167 P177	S150-T169 PolarHBondContact N-O 2.97Å; S150-T169 PolarHBondContact O-N 3.43Å; Y167-T169 HydrophobicContact CD1-CG2 4.09Å; Y167-T169 HydrophobicContact CE1-CG2 3.33Å; Y167-T169 HydrophobicContact CE2-CG2 4.18Å; Y167-T169 WeakPolarHBondContact OH-CG2 3.48Å; T169-P177 HydrophobicContact CG2-CB 3.97Å; T169-P177 HydrophobicContact CG2-CG 4.08Å
170	K	96.7	Very high	96.6	Very high	45 Å²	45	34 Å²	34	20%	0.196	20%	0.204	C	C	.	.			trans	-116.1	122.8	165.9	175.3	67.6	175.3	179.5	0	107.8	N49 E70 S148 L149 S173	N49-K170 HydrophobicContact CB-CB 4.31Å; N49-K170 HydrophobicContact CB-CG 3.93Å; E70-K170 IonicContact OE2-NZ 2.74Å; E70-K170 PolarHBondContact OE2-NZ 3.29Å; S148-K170 PolarHBondContact OG-NZ 3.2Å; L149-K170 HydrophobicContact CD2-CB 3.95Å; L149-K170 HydrophobicContact CD2-CD 4.17Å; K170-S173 WeakPolarHBondContact O-CB 3.38Å; K170-S173 PolarHBondContact O-N 3.46Å
171	E	91	Very high	96.6	Very high	121 Å²	121	34 Å²	34	57%	0.565	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	139.2	175.4	-74.5	169.4	-146.4	0	0	110.1	K145 S150 S173	K145-E171 IonicContact NZ-OE1 3.88Å; K145-E171 PolarHBondContact NZ-OE1 2.69Å; S150-E171 PolarHBondContact OG-OE1 3.36Å; E171-S173 PolarHBondContact O-N 2.88Å; E171-S173 VanDerWaalsContact O-N 3.15Å
172	S	87.9	Confident	96.6	Very high	138 Å²	138	31 Å²	31	97%	0.965	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	20.1	-179.3	-52.3	0	0	0	0	115.2
173	S	91.2	Very high	96.6	Very high	35 Å²	35	31.2 Å²	31.2	25%	0.245	19%	0.186	C	C	.	.			trans	-93.4	143	171.7	-175	0	0	0	0	111.3	N49 K170 E171 E175	N49-S173 PolarHBondContact ND2-OG 3.01Å; K170-S173 WeakPolarHBondContact O-CB 3.38Å; K170-S173 PolarHBondContact O-N 3.46Å; E171-S173 PolarHBondContact O-N 2.88Å; E171-S173 VanDerWaalsContact O-N 3.15Å; S173-E175 VanDerWaalsContact C-N 3.3Å; S173-E175 WeakPolarHBondContact OG-CB 3.45Å; S173-E175 PolarHBondContact OG-N 3.2Å; S173-E175 VanDerWaalsContact OG-N 3.09Å
174	S	90.4	Very high	96.6	Very high	127 Å²	127	31.2 Å²	31.2	89%	0.888	19%	0.186	S	C	*	.			trans	-87	-1.4	168.5	56.6	0	0	0	0	112.9
175	E	93.2	Very high	96.6	Very high	51 Å²	51	31.2 Å²	31.2	24%	0.238	19%	0.186	C	C	.	.	S	Bend	trans	-83.9	146.5	-175.9	-56.6	-165.3	112.1	0	0	112.2	Q47 A48 N49 S173	Q47-E175 WeakPolarHBondContact CA-OE1 3.35Å; Q47-E175 VanDerWaalsContact CB-CD 3.48Å; Q47-E175 VanDerWaalsContact CB-OE1 3.27Å; Q47-E175 WeakPolarHBondContact CB-OE1 3.19Å; Q47-E175 VanDerWaalsContact CB-OE2 3.28Å; Q47-E175 WeakPolarHBondContact CB-OE2 3.32Å; A48-E175 WeakPolarHBondContact CB-OE1 3.12Å; A48-E175 PolarHBondContact N-OE1 3.36Å; A48-E175 PolarHBondContact N-OE2 2.8Å; N49-E175 PolarHBondContact N-OE2 3.38Å; N49-E175 PolarHBondContact ND2-OE2 3.27Å; S173-E175 VanDerWaalsContact C-N 3.3Å; S173-E175 WeakPolarHBondContact OG-CB 3.45Å; S173-E175 PolarHBondContact OG-N 3.2Å; S173-E175 VanDerWaalsContact OG-N 3.09Å
176	P	96	Very high	96.6	Very high	40 Å²	40	31.5 Å²	31.5	26%	0.26	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-59.1	138.7	-179	-24.8	33	0	0	0	112.5	Q47 E215	Q47-P176 PolarHBondContact NE2-O 3.34Å; P176-E215 HydrophobicContact CB-CB 4.32Å; P176-E215 HydrophobicContact CB-CG 3.96Å; P176-E215 WeakPolarHBondContact CB-O 3.47Å; P176-E215 HydrophobicContact CG-CG 4.38Å
177	P	97.9	Very high	96.6	Very high	17 Å²	17	31.5 Å²	31.5	11%	0.11	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-60.3	168.4	169.5	-25.3	36.2	0	0	0	113.5	Y167 V168 T169 T216 R217	Y167-P177 HydrophobicContact CD2-CB 4.35Å; Y167-P177 HydrophobicContact CE2-CB 3.38Å; Y167-P177 HydrophobicContact CE2-CG 4.13Å; Y167-P177 WeakPolarHBondContact OH-CB 3.43Å; Y167-P177 VanDerWaalsContact OH-CG 3.26Å; Y167-P177 WeakPolarHBondContact OH-CG 3.47Å; V168-P177 WeakPolarHBondContact O-CA 3.42Å; T169-P177 HydrophobicContact CG2-CB 3.97Å; T169-P177 HydrophobicContact CG2-CG 4.08Å; P177-T216 HydrophobicContact CB-CG2 4.2Å; P177-R217 PolarHBondContact O-N 3.48Å
178	A	98.8	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.8	170.3	0	0	0	0	0	111.1	M50 Y167 V168 F180 R217 Y219	M50-A178 HydrophobicContact CE-CB 3.59Å; M50-A178 HydrophobicContact SD-CB 4.41Å; Y167-A178 CarbonylContact C-O 3.55Å; Y167-A178 WeakPolarHBondContact CA-O 3.24Å; Y167-A178 WeakPolarHBondContact CD2-O 3.4Å; V168-A178 PolarHBondContact N-O 2.77Å; V168-A178 PolarHBondContact O-N 3.47Å; A178-F180 HydrophobicContact CB-CE2 4.45Å; A178-R217 CarbonylContact C-O 3.58Å; A178-R217 WeakPolarHBondContact CA-O 3.48Å; A178-Y219 HydrophobicContact CB-CD2 4Å; A178-Y219 HydrophobicContact CB-CE2 3.63Å
179	V	98.9	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.3	167.6	66	0	0	0	0	110.4	C165 Y166 Y167 T181 L209 L212 T216 R217 V218 Y219	C165-V179 HydrophobicContact CB-CG2 4.18Å; Y166-V179 WeakPolarHBondContact O-CA 2.99Å; Y167-V179 HydrophobicContact CD2-CB 4.27Å; V179-T181 HydrophobicContact CB-CG2 4.45Å; V179-T181 HydrophobicContact CG1-CG2 3.86Å; V179-T181 HydrophobicContact CG2-CG2 3.95Å; V179-L209 HydrophobicContact CG2-CD2 3.97Å; V179-L212 HydrophobicContact CB-CD1 4.27Å; V179-L212 HydrophobicContact CG1-CD1 4.5Å; V179-L212 HydrophobicContact CG2-CD1 4.15Å; V179-T216 HydrophobicContact CB-CG2 3.9Å; V179-T216 HydrophobicContact CG1-CG2 3.68Å; V179-R217 PolarHBondContact N-O 3.21Å; V179-V218 HydrophobicContact CG1-CG2 4.07Å; V179-Y219 PolarHBondContact O-N 2.79Å
180	F	98.9	Very high	96.7	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.5	173.2	-58.7	-82.8	0	0	0	108.5	V52 Y64 L66 V77 C165 Y166 V168 A178 Y219	V52-F180 HydrophobicContact CG1-CE1 4Å; V52-F180 HydrophobicContact CG1-CZ 4.18Å; V52-F180 HydrophobicContact CG2-CZ 4.24Å; Y64-F180 VanDerWaalsContact CB-CE1 3.45Å; Y64-F180 HydrophobicContact CD1-CD1 4.49Å; Y64-F180 HydrophobicContact CD1-CE1 4.14Å; Y64-F180 AromaticContact CD2-CD1 3.77Å; Y64-F180 HydrophobicContact CD2-CD1 3.77Å; Y64-F180 HydrophobicContact CD2-CE1 4.12Å; Y64-F180 HydrophobicContact CE2-CD1 4.45Å; Y64-F180 AromaticContact CG-CD1 3.8Å; Y64-F180 HydrophobicContact CG-CD1 3.8Å; Y64-F180 AromaticContact CG-CE1 3.64Å; Y64-F180 HydrophobicContact CG-CE1 3.64Å; L66-F180 HydrophobicContact CB-CZ 4.21Å; L66-F180 HydrophobicContact CD1-CE2 4.45Å; L66-F180 HydrophobicContact CD1-CZ 4.27Å; L66-F180 HydrophobicContact CD2-CE2 3.97Å; L66-F180 HydrophobicContact CD2-CZ 4.38Å; V77-F180 HydrophobicContact CB-CD1 4.35Å; V77-F180 HydrophobicContact CG1-CB 4.11Å; V77-F180 HydrophobicContact CG1-CD1 4.37Å; V77-F180 HydrophobicContact CG1-CG 4.35Å; V77-F180 HydrophobicContact CG2-CB 4.39Å; V77-F180 HydrophobicContact CG2-CD1 3.75Å; V77-F180 HydrophobicContact CG2-CD2 4.14Å; V77-F180 HydrophobicContact CG2-CE1 4.04Å; V77-F180 HydrophobicContact CG2-CE2 4.4Å; V77-F180 HydrophobicContact CG2-CG 3.81Å; V77-F180 HydrophobicContact CG2-CZ 4.35Å; C165-F180 CarbonylContact C-O 3.58Å; C165-F180 WeakPolarHBondContact CA-O 3.37Å; C165-F180 WeakPolarHBondContact CB-O 3.27Å; Y166-F180 PolarHBondContact N-O 2.92Å; Y166-F180 PolarHBondContact O-N 2.87Å; V168-F180 HydrophobicContact CG2-CD2 4.11Å; V168-F180 HydrophobicContact CG2-CE2 3.8Å; A178-F180 HydrophobicContact CB-CE2 4.45Å; F180-Y219 CarbonylContact C-O 3.5Å; F180-Y219 VanDerWaalsContact CA-O 3.32Å; F180-Y219 WeakPolarHBondContact CA-O 3.38Å; F180-Y219 HydrophobicContact CD1-CD2 4.42Å; F180-Y219 HydrophobicContact CD1-CG 4.14Å; F180-Y219 HydrophobicContact CE1-CD2 4.06Å; F180-Y219 AromaticContact CE1-CG 3.89Å; F180-Y219 HydrophobicContact CE1-CG 3.89Å; F180-Y219 HydrophobicContact CZ-CD2 4.42Å
181	T	98.9	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-5.6	-165.4	53.1	0	0	0	0	114.4	H163 C165 V179 D183 T184 L185 L209 V218 Y219 C220	H163-T181 PolarHBondContact CE1-O 2.9Å; C165-T181 VanDerWaalsContact SG-CA 3.59Å; V179-T181 HydrophobicContact CB-CG2 4.45Å; V179-T181 HydrophobicContact CG1-CG2 3.86Å; V179-T181 HydrophobicContact CG2-CG2 3.95Å; T181-D183 PolarHBondContact O-N 3.16Å; T181-T184 WeakPolarHBondContact O-CB 3.35Å; T181-T184 PolarHBondContact O-N 3.06Å; T181-L185 WeakPolarHBondContact CB-O 3.5Å; T181-L185 HydrophobicContact CG2-CB 4.11Å; T181-L185 HydrophobicContact CG2-CD2 4.39Å; T181-L185 PolarHBondContact OG1-O 3.37Å; T181-L209 HydrophobicContact CG2-CD1 4.09Å; T181-L209 HydrophobicContact CG2-CD2 4.45Å; T181-V218 HydrophobicContact CG2-CG1 4.02Å; T181-Y219 PolarHBondContact N-O 2.9Å; T181-C220 WeakPolarHBondContact OG1-CA 3.4Å; T181-C220 WeakPolarHBondContact OG1-CB 3.28Å
182	G	98.9	Very high	97.1	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	42.4	-126.6	-171.7	0	0	0	0	0	110	G221	G182-G221 PolarHBondContact O-N 2.82Å
183	D	98.9	Very high	97.7	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.053	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.8	-177.9	-77.7	30.7	0	0	0	115.5	H103 H108 H159 H163 T181 F186 G191 H222	H103-D183 IonicContact CE1-OD1 3.69Å; H108-D183 IonicContact CE1-OD1 3.16Å; H108-D183 PolarHBondContact CE1-OD1 2.95Å; H108-D183 VanDerWaalsContact CE1-OD1 3.22Å; H108-D183 IonicContact NE2-OD1 3.88Å; H108-D183 PolarHBondContact NE2-OD1 3.2Å; H159-D183 WeakPolarHBondContact CD2-CB 3.26Å; H159-D183 IonicContact CE1-OD2 3.77Å; H159-D183 WeakPolarHBondContact NE2-CB 3.08Å; H159-D183 IonicContact NE2-OD2 3.58Å; H163-D183 PolarHBondContact NE2-N 3.46Å; H163-D183 VanDerWaalsContact NE2-N 3.18Å; T181-D183 PolarHBondContact O-N 3.16Å; D183-F186 HydrophobicContact CB-CE1 4.43Å; D183-F186 HydrophobicContact CB-CZ 3.87Å; D183-F186 VanDerWaalsContact CG-CZ 3.46Å; D183-G191 WeakPolarHBondContact O-CA 3.37Å; D183-G191 PolarHBondContact O-N 3.13Å; D183-G191 VanDerWaalsContact O-N 3.15Å; D183-H222 IonicContact OD1-CD2 3.65Å; D183-H222 PolarHBondContact OD1-CD2 3.5Å; D183-H222 IonicContact OD1-NE2 3.39Å; D183-H222 PolarHBondContact OD1-NE2 2.79Å; D183-H222 IonicContact OD2-CD2 2.98Å; D183-H222 IonicContact OD2-NE2 2.77Å; D183-H222 PolarHBondContact OD2-NE2 2.87Å
184	T	98.9	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-59.6	172.5	-70.3	0	0	0	0	110.5	T156 H163 T181 C190 G191 M201 A204 L205 L209	T156-T184 HydrophobicContact CG2-CG2 4.37Å; T156-T184 PolarHBondContact O-OG1 3.45Å; T156-T184 PolarHBondContact OG1-OG1 3.15Å; H163-T184 PolarHBondContact CE1-OG1 3.04Å; H163-T184 VanDerWaalsContact CE1-OG1 3.28Å; H163-T184 PolarHBondContact ND1-OG1 2.98Å; H163-T184 VanDerWaalsContact ND1-OG1 3.08Å; T181-T184 WeakPolarHBondContact O-CB 3.35Å; T181-T184 PolarHBondContact O-N 3.06Å; T184-C190 WeakPolarHBondContact O-CA 3.5Å; T184-C190 WeakPolarHBondContact O-CB 3.03Å; T184-G191 PolarHBondContact O-N 3.25Å; T184-M201 HydrophobicContact CG2-SD 4.24Å; T184-A204 HydrophobicContact CG2-CB 3.96Å; T184-L205 HydrophobicContact CG2-CD2 3.9Å; T184-L209 HydrophobicContact CG2-CD1 3.94Å
185	L	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.1	-179.6	173.7	63.7	0	0	0	109	T181 L205 L209 V218 C220 L264 E267 N271 M274	T181-L185 WeakPolarHBondContact CB-O 3.5Å; T181-L185 HydrophobicContact CG2-CB 4.11Å; T181-L185 HydrophobicContact CG2-CD2 4.39Å; T181-L185 PolarHBondContact OG1-O 3.37Å; L185-L205 HydrophobicContact CB-CD2 3.8Å; L185-L205 HydrophobicContact CD1-CD2 4.11Å; L185-L205 HydrophobicContact CG-CD2 4.45Å; L185-L209 HydrophobicContact CB-CD1 3.88Å; L185-L209 HydrophobicContact CD2-CD1 4.2Å; L185-V218 HydrophobicContact CD2-CG1 3.92Å; L185-V218 HydrophobicContact CD2-CG2 4.23Å; L185-V218 HydrophobicContact CG-CG1 4.22Å; L185-C220 WeakPolarHBondContact O-CB 3.28Å; L185-L264 HydrophobicContact CD2-CD2 3.91Å; L185-E267 HydrophobicContact CD1-CG 4.49Å; L185-E267 HydrophobicContact CD2-CG 4.43Å; L185-N271 WeakPolarHBondContact CD1-ND2 3.42Å; L185-M274 HydrophobicContact CD1-CG 4.07Å; L185-M274 HydrophobicContact CD1-SD 4.01Å
186	F	98.9	Very high	98.6	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	162.6	168.1	-61	-60.4	0	0	0	109.9	D183 A188 G189 C220 H222 Y224 N271	D183-F186 HydrophobicContact CB-CE1 4.43Å; D183-F186 HydrophobicContact CB-CZ 3.87Å; D183-F186 VanDerWaalsContact CG-CZ 3.46Å; F186-A188 PolarHBondContact O-N 2.75Å; F186-G189 PolarHBondContact N-O 2.98Å; F186-G189 PolarHBondContact O-N 3.35Å; F186-C220 HydrophobicContact CD1-CB 3.75Å; F186-H222 HydrophobicContact CD1-CB 4.5Å; F186-H222 HydrophobicContact CE1-CB 4.03Å; F186-H222 AromaticContact CE1-CD2 3.68Å; F186-H222 AromaticContact CZ-CD2 3.81Å; F186-Y224 HydrophobicContact CD2-CD2 4.19Å; F186-Y224 HydrophobicContact CE1-CD2 4.36Å; F186-Y224 AromaticContact CE2-CD2 3.94Å; F186-Y224 HydrophobicContact CE2-CD2 3.94Å; F186-Y224 HydrophobicContact CE2-CE2 4.24Å; F186-Y224 HydrophobicContact CG-CD2 4.48Å; F186-Y224 HydrophobicContact CZ-CD2 4.03Å; F186-Y224 HydrophobicContact CZ-CE2 4.06Å; F186-N271 PolarHBondContact O-ND2 2.59Å
187	V	98.9	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	119	166.5	-173.5	0	0	0	0	109	G189 T225 N228 I260 E267 F270	V187-G189 PolarHBondContact O-N 3.28Å; V187-T225 HydrophobicContact CB-CG2 4.01Å; V187-T225 WeakPolarHBondContact CB-OG1 3.28Å; V187-T225 HydrophobicContact CG1-CG2 3.57Å; V187-N228 WeakPolarHBondContact O-CB 3.27Å; V187-N228 PolarHBondContact O-ND2 3.4Å; V187-I260 HydrophobicContact CG2-CG1 4.1Å; V187-E267 WeakPolarHBondContact CA-OE1 3.42Å; V187-F270 HydrophobicContact CG1-CE2 4.03Å; V187-F270 HydrophobicContact CG1-CZ 4.14Å
188	A	98.9	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.4	-177	0	0	0	0	0	116	F186 N228 L229 E267 F270 N271	F186-A188 PolarHBondContact O-N 2.75Å; A188-N228 HydrophobicContact CB-CB 3.93Å; A188-N228 WeakPolarHBondContact O-CB 3.36Å; A188-L229 HydrophobicContact CB-CD2 3.53Å; A188-L229 HydrophobicContact CB-CG 3.61Å; A188-E267 PolarHBondContact N-OE2 3.23Å; A188-F270 HydrophobicContact CB-CD2 3.59Å; A188-F270 HydrophobicContact CB-CE2 3.81Å; A188-N271 VanDerWaalsContact C-CG 3.41Å
189	G	98.9	Very high	98.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-175.1	-178.1	0	0	0	0	0	114.5	F186 V187 N271	F186-G189 PolarHBondContact N-O 2.98Å; F186-G189 PolarHBondContact O-N 3.35Å; V187-G189 PolarHBondContact O-N 3.28Å; G189-N271 PolarHBondContact N-ND2 2.94Å; G189-N271 PolarHBondContact O-ND2 3.03Å
190	C	98.9	Very high	98.8	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.02	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.6	169.9	72.1	0	0	0	0	110.2	T184 M201 L205 F273 R298	T184-C190 WeakPolarHBondContact O-CA 3.5Å; T184-C190 WeakPolarHBondContact O-CB 3.03Å; C190-M201 HydrophobicContact CB-CE 4.18Å; C190-M201 HydrophobicContact CB-SD 4.13Å; C190-L205 HydrophobicContact CB-CD1 3.9Å; C190-F273 HydrophobicContact CB-CB 4.24Å; C190-F273 HydrophobicContact CB-CD2 4.07Å; C190-F273 HydrophobicContact CB-CG 4.09Å; C190-F273 WeakPolarHBondContact SG-CD1 3.34Å; C190-F273 VanDerWaalsContact SG-CD2 3.57Å; C190-F273 WeakPolarHBondContact SG-CG 3.48Å; C190-R298 PolarHBondContact O-NH1 3.18Å; C190-R298 PolarHBondContact SG-NH1 3.3Å
191	G	98.8	Very high	98.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	14%	0.136	C	C	.	.			trans	-58.4	155.9	173.1	0	0	0	0	0	113.5	D183 T184 F193 R298	D183-G191 WeakPolarHBondContact O-CA 3.37Å; D183-G191 PolarHBondContact O-N 3.13Å; D183-G191 VanDerWaalsContact O-N 3.15Å; T184-G191 PolarHBondContact O-N 3.25Å; G191-F193 WeakPolarHBondContact O-CD1 3.36Å; G191-F193 WeakPolarHBondContact O-CE1 3.42Å; G191-R298 PolarHBondContact O-NH1 3.45Å
192	K	98.8	Very high	98.8	Very high	99 Å²	99	28.6 Å²	28.6	43%	0.43	14%	0.141	S	C	.	.			trans	-65.4	148.6	161.5	-72.6	-174.3	174.9	-179.5	0	109.5	H159 F194	H159-K192 WeakPolarHBondContact CA-O 3.36Å; H159-K192 PolarHBondContact ND1-O 3.45Å; K192-F194 VanDerWaalsContact C-N 3.28Å; K192-F194 HydrophobicContact CB-CD1 4.4Å; K192-F194 HydrophobicContact CB-CD2 4.14Å; K192-F194 HydrophobicContact CB-CE1 4.16Å; K192-F194 HydrophobicContact CB-CE2 3.9Å; K192-F194 HydrophobicContact CB-CG 4.4Å; K192-F194 HydrophobicContact CB-CZ 3.91Å; K192-F194 HydrophobicContact CD-CE1 3.96Å; K192-F194 HydrophobicContact CD-CE2 4.44Å; K192-F194 HydrophobicContact CD-CZ 3.71Å; K192-F194 HydrophobicContact CG-CZ 4.39Å; K192-F194 PolarHBondContact O-N 3.07Å; K192-F194 VanDerWaalsContact O-N 3.11Å
193	F	98.6	Very high	98.8	Very high	37 Å²	37	34 Å²	34	16%	0.162	16%	0.164	C	C	.	.			trans	-90.2	63.7	-176.6	-53.1	-8.7	0	0	0	109.5	C158 G191 E195 A198 M201 M294 R298	C158-F193 WeakPolarHBondContact SG-CD1 3.32Å; C158-F193 WeakPolarHBondContact SG-CG 3.5Å; G191-F193 WeakPolarHBondContact O-CD1 3.36Å; G191-F193 WeakPolarHBondContact O-CE1 3.42Å; F193-E195 PolarHBondContact O-N 2.88Å; F193-A198 HydrophobicContact CE2-CB 4.06Å; F193-M201 HydrophobicContact CD1-CB 4.26Å; F193-M201 HydrophobicContact CD1-CE 3.69Å; F193-M201 HydrophobicContact CD1-CG 4.41Å; F193-M201 HydrophobicContact CE1-CB 3.61Å; F193-M201 HydrophobicContact CE1-CE 3.48Å; F193-M201 VanDerWaalsContact CE1-CE 3.48Å; F193-M201 HydrophobicContact CE1-CG 3.48Å; F193-M201 VanDerWaalsContact CE1-CG 3.48Å; F193-M201 HydrophobicContact CE1-SD 4.29Å; F193-M201 HydrophobicContact CE2-CB 4.13Å; F193-M201 HydrophobicContact CZ-CB 3.52Å; F193-M201 HydrophobicContact CZ-CG 3.64Å; F193-M294 HydrophobicContact CE2-CG 4.21Å; F193-M294 HydrophobicContact CZ-CG 3.96Å; F193-M294 HydrophobicContact CZ-SD 3.97Å; F193-R298 HydrophobicContact CD1-CG 3.94Å; F193-R298 HydrophobicContact CD2-CB 4.27Å; F193-R298 HydrophobicContact CD2-CG 3.74Å; F193-R298 HydrophobicContact CE1-CB 4.3Å; F193-R298 HydrophobicContact CE1-CG 3.71Å; F193-R298 HydrophobicContact CE2-CB 3.62Å; F193-R298 HydrophobicContact CE2-CG 3.53Å; F193-R298 HydrophobicContact CG-CG 3.93Å; F193-R298 HydrophobicContact CZ-CB 3.63Å; F193-R298 HydrophobicContact CZ-CG 3.5Å
194	F	98.6	Very high	98.8	Very high	125 Å²	125	33.6 Å²	33.6	55%	0.548	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.2	-173.7	-68.7	-61.5	0	0	0	112.5	H105 H159 K192	H105-F194 AromaticContact CE1-CD2 3.92Å; H159-F194 AromaticContact CE1-CD2 3.41Å; H159-F194 VanDerWaalsContact CE1-CD2 3.41Å; H159-F194 WeakPolarHBondContact CE1-CD2 3.38Å; H159-F194 AromaticContact CE1-CE2 3.51Å; H159-F194 AromaticContact ND1-CD2 3.65Å; H159-F194 WeakPolarHBondContact O-CB 3.47Å; K192-F194 VanDerWaalsContact C-N 3.28Å; K192-F194 HydrophobicContact CB-CD1 4.4Å; K192-F194 HydrophobicContact CB-CD2 4.14Å; K192-F194 HydrophobicContact CB-CE1 4.16Å; K192-F194 HydrophobicContact CB-CE2 3.9Å; K192-F194 HydrophobicContact CB-CG 4.4Å; K192-F194 HydrophobicContact CB-CZ 3.91Å; K192-F194 HydrophobicContact CD-CE1 3.96Å; K192-F194 HydrophobicContact CD-CE2 4.44Å; K192-F194 HydrophobicContact CD-CZ 3.71Å; K192-F194 HydrophobicContact CG-CZ 4.39Å; K192-F194 PolarHBondContact O-N 3.07Å; K192-F194 VanDerWaalsContact O-N 3.11Å
195	E	98.7	Very high	98.8	Very high	60 Å²	60	33.6 Å²	33.6	28%	0.28	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	25.5	-176.9	-46.1	-173.8	155.5	0	0	112.9	H104 R130 C158 H159 T160 T161 F193	H104-E195 IonicContact CE1-OE1 2.73Å; H104-E195 PolarHBondContact CE1-OE1 3.43Å; H104-E195 IonicContact NE2-OE1 3.2Å; R130-E195 IonicContact CZ-OE1 3.94Å; R130-E195 IonicContact CZ-OE2 3.02Å; R130-E195 IonicContact NH1-OE1 3.77Å; R130-E195 PolarHBondContact NH1-OE1 2.55Å; R130-E195 IonicContact NH1-OE2 2.62Å; R130-E195 IonicContact NH2-OE1 2.59Å; R130-E195 IonicContact NH2-OE2 3.26Å; R130-E195 PolarHBondContact NH2-OE2 3.03Å; C158-E195 CarbonylContact O-C 3.57Å; C158-E195 PolarHBondContact O-N 2.6Å; H159-E195 PolarHBondContact O-N 3.37Å; T160-E195 WeakPolarHBondContact CA-OE2 3.34Å; T161-E195 HydrophobicContact CG2-CB 3.84Å; T161-E195 WeakPolarHBondContact CG2-O 3.35Å; T161-E195 PolarHBondContact N-OE2 3.43Å; T161-E195 PolarHBondContact OG1-OE2 2.99Å; F193-E195 PolarHBondContact O-N 2.88Å
196	G	98.4	Very high	98.8	Very high	23 Å²	23	34.3 Å²	34.3	24%	0.237	17%	0.166	C	C	.	.			trans	-159.5	-172.3	-172	0	0	0	0	0	115.9	C158	C158-G196 WeakPolarHBondContact O-CA 3.42Å; C158-G196 PolarHBondContact O-N 3.01Å; C158-G196 VanDerWaalsContact O-N 3.09Å
197	T	98.9	Very high	98.8	Very high	61 Å²	61	37.5 Å²	37.5	37%	0.374	18%	0.181	S	C	.	.			trans	-120.1	168.8	-170.6	81.6	0	0	0	0	113.1	C158 E199 Q200 M201	C158-T197 PolarHBondContact SG-O 2.98Å; T197-E199 VanDerWaalsContact C-N 3.32Å; T197-E199 WeakPolarHBondContact CB-OE2 3.41Å; T197-E199 PolarHBondContact O-N 3.24Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 2.91Å; T197-Q200 WeakPolarHBondContact O-CB 3.49Å; T197-Q200 PolarHBondContact O-N 3.33Å; T197-Q200 PolarHBondContact OG1-N 3.4Å; T197-M201 PolarHBondContact O-N 2.73Å
198	A	98.8	Very high	98.8	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-36.2	175.1	0	0	0	0	0	112.3	F193 Q200 M201 Y202 I291 M294 R295	F193-A198 HydrophobicContact CE2-CB 4.06Å; A198-Q200 VanDerWaalsContact C-N 3.29Å; A198-Q200 PolarHBondContact O-N 3.42Å; A198-M201 PolarHBondContact O-N 2.84Å; A198-Y202 VanDerWaalsContact O-CB 3.27Å; A198-Y202 WeakPolarHBondContact O-CB 3.45Å; A198-Y202 PolarHBondContact O-N 2.8Å; A198-I291 HydrophobicContact CB-CG2 4.19Å; A198-M294 HydrophobicContact CB-CB 4.29Å; A198-M294 HydrophobicContact CB-CG 4.07Å; A198-R295 HydrophobicContact CB-CB 3.64Å; A198-R295 HydrophobicContact CB-CG 4.41Å
199	E	98.9	Very high	98.8	Very high	76 Å²	76	38.7 Å²	38.7	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-44.5	173.6	-63.4	65.1	-154.4	0	0	110.5	T197 Y202 K203 I291 R295	T197-E199 VanDerWaalsContact C-N 3.32Å; T197-E199 WeakPolarHBondContact CB-OE2 3.41Å; T197-E199 PolarHBondContact O-N 3.24Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 2.91Å; E199-Y202 PolarHBondContact O-N 3.08Å; E199-K203 WeakPolarHBondContact O-CB 3.18Å; E199-K203 PolarHBondContact O-N 3.02Å; E199-I291 HydrophobicContact CB-CG2 4.32Å; E199-I291 HydrophobicContact CG-CD1 4.23Å; E199-I291 HydrophobicContact CG-CG2 3.74Å; E199-I291 VanDerWaalsContact OE1-CG2 3.31Å; E199-I291 WeakPolarHBondContact OE1-CG2 3.4Å; E199-R295 IonicContact OE1-CZ 3.93Å; E199-R295 IonicContact OE1-NH2 2.97Å; E199-R295 PolarHBondContact OE1-NH2 3.21Å; E199-R295 IonicContact OE2-NH2 3.24Å; E199-R295 PolarHBondContact OE2-NH2 3.23Å
200	Q	98.9	Very high	98.8	Very high	66 Å²	66	39.6 Å²	39.6	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-66.9	-44.8	179.9	-74.9	179.3	-37.4	0	0	111.6	P157 C158 T197 A198 K203 A204	P157-Q200 WeakPolarHBondContact O-CB 3.31Å; C158-Q200 HydrophobicContact CB-CB 4.13Å; T197-Q200 WeakPolarHBondContact O-CB 3.49Å; T197-Q200 PolarHBondContact O-N 3.33Å; T197-Q200 PolarHBondContact OG1-N 3.4Å; A198-Q200 VanDerWaalsContact C-N 3.29Å; A198-Q200 PolarHBondContact O-N 3.42Å; Q200-K203 PolarHBondContact O-N 2.96Å; Q200-A204 WeakPolarHBondContact O-CB 3.47Å; Q200-A204 PolarHBondContact O-N 2.82Å
201	M	98.9	Very high	98.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-42.3	174	-171.1	58.5	77.8	0	0	111.7	C158 T184 C190 F193 T197 A198 K203 A204 L205 M294	C158-M201 HydrophobicContact CB-CB 4.2Å; C158-M201 HydrophobicContact CB-CE 3.88Å; C158-M201 HydrophobicContact CB-SD 4.46Å; T184-M201 HydrophobicContact CG2-SD 4.24Å; C190-M201 HydrophobicContact CB-CE 4.18Å; C190-M201 HydrophobicContact CB-SD 4.13Å; F193-M201 HydrophobicContact CD1-CB 4.26Å; F193-M201 HydrophobicContact CD1-CE 3.69Å; F193-M201 HydrophobicContact CD1-CG 4.41Å; F193-M201 HydrophobicContact CE1-CB 3.61Å; F193-M201 HydrophobicContact CE1-CE 3.48Å; F193-M201 VanDerWaalsContact CE1-CE 3.48Å; F193-M201 HydrophobicContact CE1-CG 3.48Å; F193-M201 VanDerWaalsContact CE1-CG 3.48Å; F193-M201 HydrophobicContact CE1-SD 4.29Å; F193-M201 HydrophobicContact CE2-CB 4.13Å; F193-M201 HydrophobicContact CZ-CB 3.52Å; F193-M201 HydrophobicContact CZ-CG 3.64Å; T197-M201 PolarHBondContact O-N 2.73Å; A198-M201 PolarHBondContact O-N 2.84Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.31Å; M201-A204 PolarHBondContact O-N 3.33Å; M201-L205 HydrophobicContact CG-CD1 3.79Å; M201-L205 HydrophobicContact CG-CG 3.98Å; M201-L205 WeakPolarHBondContact O-CB 3.37Å; M201-L205 WeakPolarHBondContact O-CG 3.41Å; M201-L205 PolarHBondContact O-N 3.25Å; M201-L205 HydrophobicContact SD-CD1 3.83Å; M201-L205 HydrophobicContact SD-CD2 4.03Å; M201-L205 HydrophobicContact SD-CG 3.64Å; M201-M294 HydrophobicContact CB-CG 4.32Å; M201-M294 HydrophobicContact CB-SD 4.25Å; M201-M294 HydrophobicContact CG-CE 4.15Å; M201-M294 HydrophobicContact CG-SD 3.84Å
202	Y	98.9	Very high	98.8	Very high	28 Å²	28	49.6 Å²	49.6	11%	0.11	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-47.7	175.5	174.1	-90.8	0	0	0	111.1	A198 E199 A204 L205 I206 E207 V276 K277 P290 I291	A198-Y202 VanDerWaalsContact O-CB 3.27Å; A198-Y202 WeakPolarHBondContact O-CB 3.45Å; A198-Y202 PolarHBondContact O-N 2.8Å; E199-Y202 PolarHBondContact O-N 3.08Å; Y202-A204 PolarHBondContact O-N 3.26Å; Y202-L205 PolarHBondContact O-N 3.15Å; Y202-I206 HydrophobicContact CD2-CB 4.32Å; Y202-I206 HydrophobicContact CD2-CG1 3.77Å; Y202-I206 HydrophobicContact CE2-CB 4.04Å; Y202-I206 HydrophobicContact CE2-CG1 3.73Å; Y202-I206 HydrophobicContact CE2-CG2 4.13Å; Y202-I206 HydrophobicContact CG-CG1 4.41Å; Y202-I206 VanDerWaalsContact O-CB 3.27Å; Y202-I206 WeakPolarHBondContact O-CB 3.23Å; Y202-I206 PolarHBondContact O-N 2.73Å; Y202-E207 HydrophobicContact CE1-CG 4.19Å; Y202-V276 HydrophobicContact CD2-CG2 3.9Å; Y202-V276 HydrophobicContact CE2-CG2 4.04Å; Y202-K277 WeakPolarHBondContact OH-CE 3.27Å; Y202-K277 PolarHBondContact OH-NZ 3.05Å; Y202-P290 HydrophobicContact CD2-CB 4.03Å; Y202-P290 HydrophobicContact CE2-CB 3.5Å; Y202-P290 VanDerWaalsContact CE2-CB 3.5Å; Y202-P290 HydrophobicContact CE2-CG 4.44Å; Y202-I291 HydrophobicContact CD1-CD1 4.33Å; Y202-I291 HydrophobicContact CD1-CG1 4.03Å; Y202-I291 HydrophobicContact CD2-CG1 4.28Å; Y202-I291 HydrophobicContact CG-CG1 3.88Å
203	K	98.9	Very high	98.7	Very high	114 Å²	114	47 Å²	47	50%	0.496	23%	0.229	S	C	.	.	I	π-helix	trans	-60.5	-46.7	175.9	-176.9	173	-176.7	177.1	0	111.7	E199 Q200 M201 E207 I208	E199-K203 WeakPolarHBondContact O-CB 3.18Å; E199-K203 PolarHBondContact O-N 3.02Å; Q200-K203 PolarHBondContact O-N 2.96Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.31Å; K203-E207 HydrophobicContact CG-CB 4.27Å; K203-E207 CarbonylContact O-C 3.51Å; K203-E207 WeakPolarHBondContact O-CA 3.44Å; K203-E207 WeakPolarHBondContact O-CB 3.33Å; K203-E207 PolarHBondContact O-N 3.31Å; K203-I208 HydrophobicContact CG-CD1 4.32Å; K203-I208 PolarHBondContact O-N 3.43Å
204	A	98.9	Very high	98.7	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	25%	0.245	C	C	.	.	I	π-helix	trans	-59.5	-50	178.9	0	0	0	0	0	112.1	T156 T184 Q200 M201 Y202 I208 L209	T156-A204 HydrophobicContact CG2-CB 3.88Å; T184-A204 HydrophobicContact CG2-CB 3.96Å; Q200-A204 WeakPolarHBondContact O-CB 3.47Å; Q200-A204 PolarHBondContact O-N 2.82Å; M201-A204 PolarHBondContact O-N 3.33Å; Y202-A204 PolarHBondContact O-N 3.26Å; A204-I208 WeakPolarHBondContact O-CB 3.33Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 WeakPolarHBondContact O-CG 3.34Å; A204-L209 PolarHBondContact O-N 2.92Å
205	L	98.9	Very high	98.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-76.8	-46.4	-175.1	-66.7	-169.2	0	0	0	113	T184 L185 C190 M201 Y202 L209 G210 F273 M274 M294	T184-L205 HydrophobicContact CG2-CD2 3.9Å; L185-L205 HydrophobicContact CB-CD2 3.8Å; L185-L205 HydrophobicContact CD1-CD2 4.11Å; L185-L205 HydrophobicContact CG-CD2 4.45Å; C190-L205 HydrophobicContact CB-CD1 3.9Å; M201-L205 HydrophobicContact CG-CD1 3.79Å; M201-L205 HydrophobicContact CG-CG 3.98Å; M201-L205 WeakPolarHBondContact O-CB 3.37Å; M201-L205 WeakPolarHBondContact O-CG 3.41Å; M201-L205 PolarHBondContact O-N 3.25Å; M201-L205 HydrophobicContact SD-CD1 3.83Å; M201-L205 HydrophobicContact SD-CD2 4.03Å; M201-L205 HydrophobicContact SD-CG 3.64Å; Y202-L205 PolarHBondContact O-N 3.15Å; L205-L209 HydrophobicContact CD2-CD1 4.13Å; L205-G210 WeakPolarHBondContact O-CA 3.3Å; L205-G210 PolarHBondContact O-N 2.91Å; L205-F273 HydrophobicContact CD1-CB 3.77Å; L205-M274 HydrophobicContact CB-SD 3.67Å; L205-M274 HydrophobicContact CD1-SD 4.25Å; L205-M274 HydrophobicContact CD2-SD 4.17Å; L205-M274 HydrophobicContact CG-SD 4.23Å; L205-M294 HydrophobicContact CD1-CE 4.02Å
206	I	98.8	Very high	98.7	Very high	16 Å²	16	44.4 Å²	44.4	8%	0.082	23%	0.226	C	C	.	.	I	π-helix	trans	-94.6	-40	-169.4	-53.7	-56.8	0	0	0	112.1	Y202 F268 M274 V276	Y202-I206 HydrophobicContact CD2-CB 4.32Å; Y202-I206 HydrophobicContact CD2-CG1 3.77Å; Y202-I206 HydrophobicContact CE2-CB 4.04Å; Y202-I206 HydrophobicContact CE2-CG1 3.73Å; Y202-I206 HydrophobicContact CE2-CG2 4.13Å; Y202-I206 HydrophobicContact CG-CG1 4.41Å; Y202-I206 VanDerWaalsContact O-CB 3.27Å; Y202-I206 WeakPolarHBondContact O-CB 3.23Å; Y202-I206 PolarHBondContact O-N 2.73Å; I206-F268 HydrophobicContact CD1-CE1 4.31Å; I206-M274 WeakPolarHBondContact CD1-O 3.15Å; I206-V276 HydrophobicContact CD1-CG2 4.35Å; I206-V276 HydrophobicContact CG1-CG2 4.29Å
207	E	98.7	Very high	98.7	Very high	72 Å²	72	46.3 Å²	46.3	34%	0.336	23%	0.226	S	C	.	.	I	π-helix	trans	-96.5	-20.1	-173	-57.3	-173.6	171.3	0	0	114	Y202 K203 R211	Y202-E207 HydrophobicContact CE1-CG 4.19Å; K203-E207 HydrophobicContact CG-CB 4.27Å; K203-E207 CarbonylContact O-C 3.51Å; K203-E207 WeakPolarHBondContact O-CA 3.44Å; K203-E207 WeakPolarHBondContact O-CB 3.33Å; K203-E207 PolarHBondContact O-N 3.31Å; E207-R211 WeakPolarHBondContact O-CD 3.16Å; E207-R211 WeakPolarHBondContact O-CG 3.2Å; E207-R211 PolarHBondContact O-NE 3Å
208	I	98.8	Very high	98.7	Very high	26 Å²	26	43.4 Å²	43.4	13%	0.133	21%	0.208	C	C	.	.	I	π-helix	trans	-107.3	-68.8	178.7	-60.9	176.3	0	0	0	110.1	L154 F155 T156 K203 A204 R211	L154-I208 HydrophobicContact CB-CG2 3.96Å; L154-I208 HydrophobicContact CD1-CG2 4.27Å; L154-I208 HydrophobicContact CD2-CG2 4.4Å; L154-I208 HydrophobicContact CG-CG2 4.45Å; F155-I208 WeakPolarHBondContact O-CD1 3.39Å; T156-I208 HydrophobicContact CG2-CD1 4.46Å; T156-I208 HydrophobicContact CG2-CG2 4.11Å; K203-I208 HydrophobicContact CG-CD1 4.32Å; K203-I208 PolarHBondContact O-N 3.43Å; A204-I208 WeakPolarHBondContact O-CB 3.33Å; I208-R211 PolarHBondContact O-N 2.72Å
209	L	98.9	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-68.6	-45.4	-177	-64.8	179.2	0	0	0	111.5	L154 T156 C165 V179 T181 T184 L185 A204 L205 R211 L212 L264	L154-L209 HydrophobicContact CD1-CD2 4.07Å; T156-L209 HydrophobicContact CG2-CG 4.44Å; C165-L209 HydrophobicContact CB-CD2 4.02Å; V179-L209 HydrophobicContact CG2-CD2 3.97Å; T181-L209 HydrophobicContact CG2-CD1 4.09Å; T181-L209 HydrophobicContact CG2-CD2 4.45Å; T184-L209 HydrophobicContact CG2-CD1 3.94Å; L185-L209 HydrophobicContact CB-CD1 3.88Å; L185-L209 HydrophobicContact CD2-CD1 4.2Å; A204-L209 WeakPolarHBondContact O-CB 3.37Å; A204-L209 WeakPolarHBondContact O-CG 3.34Å; A204-L209 PolarHBondContact O-N 2.92Å; L205-L209 HydrophobicContact CD2-CD1 4.13Å; L209-R211 PolarHBondContact O-N 2.89Å; L209-L212 HydrophobicContact CD2-CD1 4.19Å; L209-L212 WeakPolarHBondContact O-CB 3.44Å; L209-L212 WeakPolarHBondContact O-CG 3.41Å; L209-L212 PolarHBondContact O-N 2.81Å; L209-L264 VanDerWaalsContact O-CD1 3.28Å; L209-L264 WeakPolarHBondContact O-CD1 3.45Å
210	G	98.6	Very high	98.7	Very high	19 Å²	19	39.6 Å²	39.6	20%	0.196	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.7	-7.6	-180	0	0	0	0	0	115.5	L205	L205-G210 WeakPolarHBondContact O-CA 3.3Å; L205-G210 PolarHBondContact O-N 2.91Å
211	R	98.5	Very high	98.7	Very high	185 Å²	185	36.4 Å²	36.4	70%	0.698	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-97.4	-5.3	173.5	-65.5	-167.1	-175.6	159	-0.3	113.8	E207 I208 L209	E207-R211 WeakPolarHBondContact O-CD 3.16Å; E207-R211 WeakPolarHBondContact O-CG 3.2Å; E207-R211 PolarHBondContact O-NE 3Å; I208-R211 PolarHBondContact O-N 2.72Å; L209-R211 PolarHBondContact O-N 2.89Å
212	L	98.7	Very high	98.7	Very high	28 Å²	28	36.6 Å²	36.6	15%	0.147	18%	0.175	C	C	.	.	S	Bend	trans	-70.8	162.8	171.3	-60.1	175.2	0	0	0	110.1	L154 Y167 V179 L209 L264	L154-L212 HydrophobicContact CD1-CD1 3.87Å; L154-L212 HydrophobicContact CD1-CD2 4.18Å; L154-L212 HydrophobicContact CD1-CG 4.43Å; Y167-L212 HydrophobicContact CD1-CD2 4.1Å; Y167-L212 HydrophobicContact CD2-CD1 3.78Å; Y167-L212 HydrophobicContact CD2-CD2 4.04Å; Y167-L212 HydrophobicContact CD2-CG 4.44Å; Y167-L212 HydrophobicContact CE1-CD2 4.15Å; Y167-L212 HydrophobicContact CE2-CB 4.48Å; Y167-L212 HydrophobicContact CE2-CD1 4.18Å; Y167-L212 HydrophobicContact CE2-CD2 4.06Å; Y167-L212 HydrophobicContact CE2-CG 4.48Å; Y167-L212 HydrophobicContact CG-CD1 4.28Å; Y167-L212 HydrophobicContact CG-CD2 4.04Å; V179-L212 HydrophobicContact CB-CD1 4.27Å; V179-L212 HydrophobicContact CG1-CD1 4.5Å; V179-L212 HydrophobicContact CG2-CD1 4.15Å; L209-L212 HydrophobicContact CD2-CD1 4.19Å; L209-L212 WeakPolarHBondContact O-CB 3.44Å; L209-L212 WeakPolarHBondContact O-CG 3.41Å; L209-L212 PolarHBondContact O-N 2.81Å; L212-L264 HydrophobicContact CB-CD1 3.53Å; L212-L264 HydrophobicContact CD1-CD1 4.21Å; L212-L264 HydrophobicContact CG-CD1 4.39Å
213	P	98.5	Very high	98.7	Very high	44 Å²	44	36.6 Å²	36.6	29%	0.286	18%	0.176	S	C	.	.			trans	-55.6	138.6	178	-25.6	35.1	0	0	0	112.3	Y167 E215 T216	Y167-P213 WeakPolarHBondContact OH-CD 3.23Å; P213-E215 VanDerWaalsContact CB-OE1 3.25Å; P213-E215 WeakPolarHBondContact CB-OE1 3.32Å; P213-E215 WeakPolarHBondContact CB-OE2 3.34Å; P213-E215 PolarHBondContact O-N 2.73Å; P213-T216 WeakPolarHBondContact O-CB 3.45Å; P213-T216 PolarHBondContact O-N 2.62Å; P213-T216 PolarHBondContact O-OG1 3.25Å
214	P	98.6	Very high	98.7	Very high	78 Å²	78	34.9 Å²	34.9	51%	0.506	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.2	-173.4	22	-32.8	0	0	0	113.7	T216 L264 A265	P214-T216 PolarHBondContact O-N 2.77Å; P214-L264 PolarHBondContact O-N 3.43Å; P214-A265 HydrophobicContact CB-CB 3.96Å; P214-A265 WeakPolarHBondContact O-CB 3.21Å; P214-A265 PolarHBondContact O-N 2.88Å
215	E	98.1	Very high	98.7	Very high	91 Å²	91	34.9 Å²	34.9	43%	0.425	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.5	178	71.6	-78.9	-174.9	0	0	114.2	P176 P213 R217	P176-E215 HydrophobicContact CB-CB 4.32Å; P176-E215 HydrophobicContact CB-CG 3.96Å; P176-E215 WeakPolarHBondContact CB-O 3.47Å; P176-E215 HydrophobicContact CG-CG 4.38Å; P213-E215 VanDerWaalsContact CB-OE1 3.25Å; P213-E215 WeakPolarHBondContact CB-OE1 3.32Å; P213-E215 WeakPolarHBondContact CB-OE2 3.34Å; P213-E215 PolarHBondContact O-N 2.73Å; E215-R217 PolarHBondContact O-N 3.27Å
216	T	98.7	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-56.5	123.2	-179.7	-58.5	0	0	0	0	110.2	Y167 P177 V179 P213 P214 T263 L264	Y167-T216 HydrophobicContact CD2-CG2 4.13Å; Y167-T216 HydrophobicContact CE2-CG2 3.84Å; P177-T216 HydrophobicContact CB-CG2 4.2Å; V179-T216 HydrophobicContact CB-CG2 3.9Å; V179-T216 HydrophobicContact CG1-CG2 3.68Å; P213-T216 WeakPolarHBondContact O-CB 3.45Å; P213-T216 PolarHBondContact O-N 2.62Å; P213-T216 PolarHBondContact O-OG1 3.25Å; P214-T216 PolarHBondContact O-N 2.77Å; T216-T263 VanDerWaalsContact O-CA 3.29Å; T216-T263 WeakPolarHBondContact O-CA 3.23Å; T216-L264 HydrophobicContact CG2-CD1 4.32Å; T216-L264 PolarHBondContact O-N 2.98Å; T216-L264 VanDerWaalsContact O-N 3.07Å
217	R	98.8	Very high	98.7	Very high	62 Å²	62	37.3 Å²	37.3	23%	0.234	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.7	176.8	-69.3	-173.1	175	101.9	-4.5	110.9	P177 A178 V179 E215 Y219 P261 S262	P177-R217 PolarHBondContact O-N 3.48Å; A178-R217 CarbonylContact C-O 3.58Å; A178-R217 WeakPolarHBondContact CA-O 3.48Å; V179-R217 PolarHBondContact N-O 3.21Å; E215-R217 PolarHBondContact O-N 3.27Å; R217-Y219 HydrophobicContact CB-CD2 4.34Å; R217-Y219 HydrophobicContact CB-CE2 3.59Å; R217-P261 HydrophobicContact CB-CB 4.09Å; R217-P261 HydrophobicContact CB-CG 4.45Å; R217-S262 CarbonylContact C-O 3.47Å; R217-S262 WeakPolarHBondContact CA-O 3.26Å
218	V	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.6	-178	179.5	0	0	0	0	110.2	V179 T181 L185 P261 S262 L264	V179-V218 HydrophobicContact CG1-CG2 4.07Å; T181-V218 HydrophobicContact CG2-CG1 4.02Å; L185-V218 HydrophobicContact CD2-CG1 3.92Å; L185-V218 HydrophobicContact CD2-CG2 4.23Å; L185-V218 HydrophobicContact CG-CG1 4.22Å; V218-P261 VanDerWaalsContact O-CA 3.26Å; V218-P261 WeakPolarHBondContact O-CA 3.46Å; V218-P261 VanDerWaalsContact O-CB 3.27Å; V218-P261 WeakPolarHBondContact O-CB 3.39Å; V218-S262 PolarHBondContact N-O 2.84Å; V218-S262 PolarHBondContact O-N 2.98Å; V218-L264 HydrophobicContact CG2-CD2 3.79Å; V218-L264 HydrophobicContact CG2-CG 3.94Å
219	Y	98.9	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	98.6	178.1	-63.7	-87.7	0	0	0	109.7	V45 V52 L54 Y64 A178 V179 F180 T181 R217 I260 P261	V45-Y219 HydrophobicContact CG2-CE1 4.23Å; V52-Y219 HydrophobicContact CB-CE1 4.01Å; V52-Y219 HydrophobicContact CG1-CD1 3.99Å; V52-Y219 HydrophobicContact CG1-CE1 3.67Å; V52-Y219 HydrophobicContact CG2-CE1 4.48Å; V52-Y219 HydrophobicContact CG2-CE2 4.35Å; L54-Y219 HydrophobicContact CD1-CD1 4.45Å; L54-Y219 HydrophobicContact CD1-CE1 4.11Å; Y64-Y219 AromaticContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CG 4.28Å; Y64-Y219 AromaticContact CE1-CD1 3.56Å; Y64-Y219 HydrophobicContact CE1-CD1 3.56Å; Y64-Y219 HydrophobicContact CE1-CG 4.1Å; A178-Y219 HydrophobicContact CB-CD2 4Å; A178-Y219 HydrophobicContact CB-CE2 3.63Å; V179-Y219 PolarHBondContact O-N 2.79Å; F180-Y219 CarbonylContact C-O 3.5Å; F180-Y219 VanDerWaalsContact CA-O 3.32Å; F180-Y219 WeakPolarHBondContact CA-O 3.38Å; F180-Y219 HydrophobicContact CD1-CD2 4.42Å; F180-Y219 HydrophobicContact CD1-CG 4.14Å; F180-Y219 HydrophobicContact CE1-CD2 4.06Å; F180-Y219 AromaticContact CE1-CG 3.89Å; F180-Y219 HydrophobicContact CE1-CG 3.89Å; F180-Y219 HydrophobicContact CZ-CD2 4.42Å; T181-Y219 PolarHBondContact N-O 2.9Å; R217-Y219 HydrophobicContact CB-CD2 4.34Å; R217-Y219 HydrophobicContact CB-CE2 3.59Å; Y219-I260 HydrophobicContact CD1-CG2 3.89Å; Y219-I260 HydrophobicContact CG-CG2 4.46Å; Y219-P261 HydrophobicContact CD1-CB 3.94Å; Y219-P261 HydrophobicContact CD1-CG 4.46Å; Y219-P261 HydrophobicContact CD2-CB 4.45Å; Y219-P261 HydrophobicContact CE1-CB 3.64Å; Y219-P261 HydrophobicContact CE1-CG 3.71Å; Y219-P261 HydrophobicContact CE2-CB 4.18Å; Y219-P261 HydrophobicContact CG-CB 4.35Å
220	C	98.9	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	167.4	-170.9	64.3	0	0	0	0	114.3	Y64 T181 L185 F186 H222 I260	Y64-C220 PolarHBondContact OH-N 3.32Å; Y64-C220 PolarHBondContact OH-O 2.93Å; T181-C220 WeakPolarHBondContact OG1-CA 3.4Å; T181-C220 WeakPolarHBondContact OG1-CB 3.28Å; L185-C220 WeakPolarHBondContact O-CB 3.28Å; F186-C220 HydrophobicContact CD1-CB 3.75Å; C220-H222 PolarHBondContact O-N 3.28Å; C220-I260 WeakPolarHBondContact SG-CD1 3.36Å
221	G	98.8	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-62.5	-34.3	-171.4	0	0	0	0	0	115.7	N61 Y62 G182	N61-G221 CarbonylContact C-O 3.58Å; N61-G221 VanDerWaalsContact CA-O 3.31Å; N61-G221 WeakPolarHBondContact CA-O 3.36Å; Y62-G221 PolarHBondContact N-O 3.5Å; G182-G221 PolarHBondContact O-N 2.82Å
222	H	98.8	Very high	98.7	Very high	3 Å²	3	24 Å²	24	1%	0.014	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-139.1	154.6	-165.8	-63.6	-98.5	0	0	0	114.9	D60 N61 D107 H108 D183 F186 C220 Y224	D60-H222 CarbonylContact O-C 3.57Å; D60-H222 WeakPolarHBondContact O-CA 3.31Å; D60-H222 IonicContact OD1-CE1 2.65Å; D60-H222 IonicContact OD1-CG 3.72Å; D60-H222 IonicContact OD1-ND1 3.53Å; D60-H222 PolarHBondContact OD1-ND1 3.17Å; N61-H222 VanDerWaalsContact CG-CE1 3.44Å; N61-H222 PolarHBondContact ND2-CE1 3.26Å; D107-H222 IonicContact OD2-CE1 3.58Å; D107-H222 PolarHBondContact OD2-CE1 3.03Å; D107-H222 IonicContact OD2-NE2 3.79Å; D107-H222 PolarHBondContact OD2-NE2 3.33Å; H108-H222 AromaticContact NE2-NE2 3.37Å; H108-H222 PolarHBondContact NE2-NE2 3.34Å; D183-H222 IonicContact OD1-CD2 3.65Å; D183-H222 PolarHBondContact OD1-CD2 3.5Å; D183-H222 IonicContact OD1-NE2 3.39Å; D183-H222 PolarHBondContact OD1-NE2 2.79Å; D183-H222 IonicContact OD2-CD2 2.98Å; D183-H222 IonicContact OD2-NE2 2.77Å; D183-H222 PolarHBondContact OD2-NE2 2.87Å; F186-H222 HydrophobicContact CD1-CB 4.5Å; F186-H222 HydrophobicContact CE1-CB 4.03Å; F186-H222 AromaticContact CE1-CD2 3.68Å; F186-H222 AromaticContact CZ-CD2 3.81Å; C220-H222 PolarHBondContact O-N 3.28Å; H222-Y224 VanDerWaalsContact C-N 3.27Å; H222-Y224 HydrophobicContact CB-CD1 4Å; H222-Y224 HydrophobicContact CB-CD2 3.58Å; H222-Y224 HydrophobicContact CB-CE1 3.9Å; H222-Y224 HydrophobicContact CB-CE2 3.44Å; H222-Y224 VanDerWaalsContact CB-CE2 3.44Å; H222-Y224 HydrophobicContact CB-CG 3.85Å; H222-Y224 AromaticContact CD2-CE2 3.89Å; H222-Y224 AromaticContact CG-CE2 3.54Å; H222-Y224 AromaticContact CG-CZ 3.57Å; H222-Y224 AromaticContact ND1-CZ 3.59Å; H222-Y224 PolarHBondContact ND1-OH 3.31Å; H222-Y224 PolarHBondContact O-N 2.79Å; H222-Y224 VanDerWaalsContact O-N 3.07Å
223	E	98.5	Very high	98.7	Very high	29 Å²	29	26.4 Å²	26.4	14%	0.136	13%	0.131	C	C	.	.			trans	-79.8	62.5	170.3	-167.2	52.1	-97.8	0	0	112.2	D60 Y62 T225 P258 T259	D60-E223 HydrophobicContact CB-CB 4.34Å; D60-E223 PolarHBondContact O-N 3.19Å; Y62-E223 HydrophobicContact CE2-CB 3.66Å; Y62-E223 HydrophobicContact CE2-CG 4.24Å; Y62-E223 WeakPolarHBondContact CE2-OE2 3.4Å; Y62-E223 PolarHBondContact OH-OE2 2.66Å; E223-T225 PolarHBondContact OE1-OG1 2.73Å; E223-P258 WeakPolarHBondContact OE2-CA 3.27Å; E223-T259 WeakPolarHBondContact OE1-CB 3.31Å; E223-T259 WeakPolarHBondContact OE1-CG2 3.45Å; E223-T259 PolarHBondContact OE1-OG1 3.04Å; E223-T259 PolarHBondContact OE2-N 3.35Å; E223-T259 PolarHBondContact OE2-OG1 3.46Å
224	Y	98.6	Very high	98.7	Very high	78 Å²	78	28.2 Å²	28.2	31%	0.306	14%	0.135	S	C	.	.			trans	-97.5	4.8	178.8	-65.5	-26.3	0	0	0	114.3	D60 F186 H222 V226 S227 N228	D60-Y224 HydrophobicContact CB-CE1 4.32Å; F186-Y224 HydrophobicContact CD2-CD2 4.19Å; F186-Y224 HydrophobicContact CE1-CD2 4.36Å; F186-Y224 AromaticContact CE2-CD2 3.94Å; F186-Y224 HydrophobicContact CE2-CD2 3.94Å; F186-Y224 HydrophobicContact CE2-CE2 4.24Å; F186-Y224 HydrophobicContact CG-CD2 4.48Å; F186-Y224 HydrophobicContact CZ-CD2 4.03Å; F186-Y224 HydrophobicContact CZ-CE2 4.06Å; H222-Y224 VanDerWaalsContact C-N 3.27Å; H222-Y224 HydrophobicContact CB-CD1 4Å; H222-Y224 HydrophobicContact CB-CD2 3.58Å; H222-Y224 HydrophobicContact CB-CE1 3.9Å; H222-Y224 HydrophobicContact CB-CE2 3.44Å; H222-Y224 VanDerWaalsContact CB-CE2 3.44Å; H222-Y224 HydrophobicContact CB-CG 3.85Å; H222-Y224 AromaticContact CD2-CE2 3.89Å; H222-Y224 AromaticContact CG-CE2 3.54Å; H222-Y224 AromaticContact CG-CZ 3.57Å; H222-Y224 AromaticContact ND1-CZ 3.59Å; H222-Y224 PolarHBondContact ND1-OH 3.31Å; H222-Y224 PolarHBondContact O-N 2.79Å; H222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-V226 PolarHBondContact O-N 3.34Å; Y224-S227 PolarHBondContact O-N 2.72Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.19Å; Y224-N228 WeakPolarHBondContact O-CB 3.23Å; Y224-N228 PolarHBondContact O-N 2.83Å; Y224-N228 PolarHBondContact O-ND2 2.77Å
225	T	98.8	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-44.4	-165.9	-56	0	0	0	0	113.9	V187 E223 N228 L229 A249 T259	V187-T225 HydrophobicContact CB-CG2 4.01Å; V187-T225 WeakPolarHBondContact CB-OG1 3.28Å; V187-T225 HydrophobicContact CG1-CG2 3.57Å; E223-T225 PolarHBondContact OE1-OG1 2.73Å; T225-N228 PolarHBondContact O-N 3.4Å; T225-L229 HydrophobicContact CG2-CD1 3.63Å; T225-L229 HydrophobicContact CG2-CG 4.4Å; T225-L229 WeakPolarHBondContact O-CB 3.45Å; T225-L229 VanDerWaalsContact O-CG 3.32Å; T225-L229 WeakPolarHBondContact O-CG 3.42Å; T225-L229 PolarHBondContact O-N 3.16Å; T225-A249 HydrophobicContact CG2-CB 3.9Å; T225-T259 WeakPolarHBondContact CB-OG1 3.32Å; T225-T259 HydrophobicContact CG2-CG2 4.15Å; T225-T259 PolarHBondContact OG1-OG1 3.35Å
226	V	98.5	Very high	98.7	Very high	30 Å²	30	20.8 Å²	20.8	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-44.1	179.2	174.3	0	0	0	0	111.6	Y224 K230 L246 A249 K250	Y224-V226 PolarHBondContact O-N 3.34Å; V226-K230 HydrophobicContact CG1-CD 4.42Å; V226-K230 WeakPolarHBondContact O-CG 3.43Å; V226-K230 PolarHBondContact O-N 3.3Å; V226-L246 HydrophobicContact CG1-CD1 4.13Å; V226-A249 HydrophobicContact CG2-CB 3.9Å; V226-K250 HydrophobicContact CG1-CG 4.18Å; V226-K250 HydrophobicContact CG2-CG 4.37Å
227	S	98.4	Very high	98.7	Very high	38 Å²	38	24 Å²	24	27%	0.266	12%	0.115	S	C	.	.	H	α-helix	trans	-70	-36.5	179.6	71.7	0	0	0	0	111.4	Y224 K230 F231	Y224-S227 PolarHBondContact O-N 2.72Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.19Å; S227-K230 PolarHBondContact O-N 3.42Å; S227-F231 PolarHBondContact O-N 2.89Å
228	N	98.9	Very high	98.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-48.5	173.8	-73.8	-14.5	0	0	0	111.8	V187 A188 Y224 T225 K230 F231 A232 K301	V187-N228 WeakPolarHBondContact O-CB 3.27Å; V187-N228 PolarHBondContact O-ND2 3.4Å; A188-N228 HydrophobicContact CB-CB 3.93Å; A188-N228 WeakPolarHBondContact O-CB 3.36Å; Y224-N228 WeakPolarHBondContact O-CB 3.23Å; Y224-N228 PolarHBondContact O-N 2.83Å; Y224-N228 PolarHBondContact O-ND2 2.77Å; T225-N228 PolarHBondContact O-N 3.4Å; N228-K230 VanDerWaalsContact C-N 3.33Å; N228-K230 PolarHBondContact O-N 2.97Å; N228-F231 WeakPolarHBondContact O-CB 3.5Å; N228-F231 PolarHBondContact O-N 3.05Å; N228-F231 VanDerWaalsContact O-N 3.14Å; N228-A232 PolarHBondContact O-N 2.63Å; N228-K301 VanDerWaalsContact OD1-CE 3.24Å; N228-K301 WeakPolarHBondContact OD1-CE 3.45Å; N228-K301 PolarHBondContact OD1-NZ 3.11Å
229	L	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-30.6	178.8	-74.7	164.4	0	0	0	112.8	A188 T225 F231 A232 R233 I242 K245 L246 A249 F270	A188-L229 HydrophobicContact CB-CD2 3.53Å; A188-L229 HydrophobicContact CB-CG 3.61Å; T225-L229 HydrophobicContact CG2-CD1 3.63Å; T225-L229 HydrophobicContact CG2-CG 4.4Å; T225-L229 WeakPolarHBondContact O-CB 3.45Å; T225-L229 VanDerWaalsContact O-CG 3.32Å; T225-L229 WeakPolarHBondContact O-CG 3.42Å; T225-L229 PolarHBondContact O-N 3.16Å; L229-F231 VanDerWaalsContact C-N 3.32Å; L229-A232 PolarHBondContact O-N 3.31Å; L229-R233 WeakPolarHBondContact O-CB 3.48Å; L229-R233 PolarHBondContact O-N 3.4Å; L229-I242 HydrophobicContact CD2-CG2 4.22Å; L229-K245 HydrophobicContact CD1-CB 4.19Å; L229-K245 HydrophobicContact CD1-CG 3.81Å; L229-K245 HydrophobicContact CD2-CB 4.08Å; L229-K245 HydrophobicContact CD2-CG 4.09Å; L229-L246 HydrophobicContact CB-CB 4.02Å; L229-L246 HydrophobicContact CB-CD1 3.78Å; L229-L246 HydrophobicContact CB-CG 4.39Å; L229-L246 HydrophobicContact CD1-CB 4.44Å; L229-A249 HydrophobicContact CD1-CB 3.86Å; L229-F270 HydrophobicContact CD2-CB 4.37Å; L229-F270 HydrophobicContact CD2-CD2 4.16Å; L229-F270 HydrophobicContact CD2-CG 4.36Å
230	K	98.8	Very high	98.6	Very high	19 Å²	19	36.1 Å²	36.1	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-40.7	170.2	-78.9	176.9	172.9	-174.6	0	111.8	V226 S227 N228 H234 L246 V306 P307 K308 E309	V226-K230 HydrophobicContact CG1-CD 4.42Å; V226-K230 WeakPolarHBondContact O-CG 3.43Å; V226-K230 PolarHBondContact O-N 3.3Å; S227-K230 PolarHBondContact O-N 3.42Å; N228-K230 VanDerWaalsContact C-N 3.33Å; N228-K230 PolarHBondContact O-N 2.97Å; K230-H234 PolarHBondContact O-N 3.19Å; K230-L246 HydrophobicContact CG-CD1 4.11Å; K230-L246 HydrophobicContact CG-CD2 4.23Å; K230-V306 HydrophobicContact CB-CG1 4.49Å; K230-V306 HydrophobicContact CD-CG1 3.66Å; K230-P307 PolarHBondContact NZ-O 3.18Å; K230-K308 PolarHBondContact NZ-O 2.8Å; K230-E309 WeakPolarHBondContact CE-OXT 3.42Å; K230-E309 PolarHBondContact NZ-OXT 3.25Å
231	F	98.9	Very high	98.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-43.7	172.8	178.7	-104.6	0	0	0	111.6	S227 N228 L229 R233 H234 V235 P272 F273 L297 E300 K301 F304	S227-F231 PolarHBondContact O-N 2.89Å; N228-F231 WeakPolarHBondContact O-CB 3.5Å; N228-F231 PolarHBondContact O-N 3.05Å; N228-F231 VanDerWaalsContact O-N 3.14Å; L229-F231 VanDerWaalsContact C-N 3.32Å; F231-R233 VanDerWaalsContact C-N 3.26Å; F231-R233 PolarHBondContact O-N 2.87Å; F231-H234 WeakPolarHBondContact O-CA 3.38Å; F231-H234 VanDerWaalsContact O-CB 3.31Å; F231-H234 WeakPolarHBondContact O-CB 3.34Å; F231-H234 PolarHBondContact O-N 3.14Å; F231-V235 HydrophobicContact CD1-CG2 4.13Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.11Å; F231-V235 HydrophobicContact CZ-CG2 3.61Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 3.02Å; F231-P272 HydrophobicContact CD1-CG 4.09Å; F231-P272 HydrophobicContact CE1-CG 4.15Å; F231-F273 HydrophobicContact CE1-CZ 4.21Å; F231-L297 HydrophobicContact CE1-CD2 4.45Å; F231-L297 HydrophobicContact CZ-CD2 4.35Å; F231-E300 HydrophobicContact CE2-CB 4.3Å; F231-E300 HydrophobicContact CE2-CG 4.05Å; F231-E300 HydrophobicContact CZ-CB 4.27Å; F231-E300 HydrophobicContact CZ-CG 4.42Å; F231-K301 HydrophobicContact CB-CD 4.45Å; F231-K301 HydrophobicContact CB-CG 4.38Å; F231-K301 HydrophobicContact CD1-CB 3.98Å; F231-K301 HydrophobicContact CD1-CD 3.58Å; F231-K301 HydrophobicContact CD1-CG 3.79Å; F231-K301 HydrophobicContact CD2-CB 4.1Å; F231-K301 HydrophobicContact CD2-CG 4.08Å; F231-K301 HydrophobicContact CE1-CB 3.7Å; F231-K301 HydrophobicContact CE1-CD 3.98Å; F231-K301 HydrophobicContact CE1-CG 4.05Å; F231-K301 HydrophobicContact CE2-CB 3.83Å; F231-K301 HydrophobicContact CE2-CG 4.33Å; F231-K301 HydrophobicContact CG-CB 4.17Å; F231-K301 HydrophobicContact CG-CD 4Å; F231-K301 HydrophobicContact CG-CG 3.79Å; F231-K301 HydrophobicContact CZ-CB 3.62Å; F231-K301 HydrophobicContact CZ-CG 4.32Å; F231-F304 HydrophobicContact CB-CD1 4.01Å; F231-F304 HydrophobicContact CB-CE1 4.02Å; F231-F304 HydrophobicContact CD2-CB 3.92Å; F231-F304 AromaticContact CD2-CD1 3.85Å; F231-F304 HydrophobicContact CD2-CD1 3.85Å; F231-F304 AromaticContact CD2-CD2 3.99Å; F231-F304 HydrophobicContact CD2-CD2 3.99Å; F231-F304 HydrophobicContact CD2-CE1 4.31Å; F231-F304 HydrophobicContact CD2-CE2 4.45Å; F231-F304 AromaticContact CD2-CG 3.66Å; F231-F304 HydrophobicContact CD2-CG 3.66Å; F231-F304 HydrophobicContact CE2-CB 4.3Å; F231-F304 HydrophobicContact CE2-CG 4.37Å; F231-F304 HydrophobicContact CG-CD1 4.41Å
232	A	98.9	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-40.4	176.4	0	0	0	0	0	111.9	N228 L229 H234 V235 E236 I242 F270 P272	N228-A232 PolarHBondContact O-N 2.63Å; L229-A232 PolarHBondContact O-N 3.31Å; A232-H234 VanDerWaalsContact C-N 3.31Å; A232-H234 PolarHBondContact O-N 3.45Å; A232-V235 PolarHBondContact O-N 3.44Å; A232-E236 PolarHBondContact O-N 3.44Å; A232-I242 HydrophobicContact CB-CD1 3.92Å; A232-I242 HydrophobicContact CB-CG1 4.33Å; A232-I242 HydrophobicContact CB-CG2 3.94Å; A232-I242 WeakPolarHBondContact O-CD1 3.36Å; A232-F270 WeakPolarHBondContact CB-O 3.41Å; A232-P272 HydrophobicContact CB-CG 4.2Å
233	R	98.8	Very high	98.6	Very high	80 Å²	80	43.5 Å²	43.5	30%	0.302	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-33.3	175	-176.7	-177.2	65.3	-179.3	-3.3	112.4	L229 F231 E236 P237 I242 E309	L229-R233 WeakPolarHBondContact O-CB 3.48Å; L229-R233 PolarHBondContact O-N 3.4Å; F231-R233 VanDerWaalsContact C-N 3.26Å; F231-R233 PolarHBondContact O-N 2.87Å; R233-E236 CarbonylContact O-C 3.54Å; R233-P237 WeakPolarHBondContact O-CA 3.26Å; R233-I242 HydrophobicContact CB-CG2 3.87Å; R233-E309 PolarHBondContact NH2-O 2.84Å
234	H	98.6	Very high	98.6	Very high	81 Å²	81	48.5 Å²	48.5	38%	0.375	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-39.4	174	168.3	83	0	0	0	111.4	K230 F231 A232 H284 E300 F304	K230-H234 PolarHBondContact O-N 3.19Å; F231-H234 WeakPolarHBondContact O-CA 3.38Å; F231-H234 VanDerWaalsContact O-CB 3.31Å; F231-H234 WeakPolarHBondContact O-CB 3.34Å; F231-H234 PolarHBondContact O-N 3.14Å; A232-H234 VanDerWaalsContact C-N 3.31Å; A232-H234 PolarHBondContact O-N 3.45Å; H234-H284 AromaticContact CD2-CE1 3.77Å; H234-H284 AromaticContact CD2-NE2 3.87Å; H234-H284 AromaticContact NE2-CE1 3.51Å; H234-H284 AromaticContact NE2-NE2 3.73Å; H234-E300 IonicContact CD2-OE1 2.72Å; H234-E300 PolarHBondContact CD2-OE1 3.37Å; H234-E300 IonicContact CE1-OE1 3.44Å; H234-E300 IonicContact NE2-OE1 2.9Å; H234-E300 PolarHBondContact NE2-OE1 3.26Å; H234-F304 HydrophobicContact CB-CE2 3.91Å; H234-F304 HydrophobicContact CB-CZ 4.01Å; H234-F304 AromaticContact CG-CE2 3.75Å
235	V	98.8	Very high	98.6	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-72.1	-44.2	178.1	179	0	0	0	0	112.1	F231 A232 P272 V281 H284 L297	F231-V235 HydrophobicContact CD1-CG2 4.13Å; F231-V235 HydrophobicContact CE1-CG2 3.62Å; F231-V235 HydrophobicContact CE2-CG2 4.11Å; F231-V235 HydrophobicContact CZ-CG2 3.61Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 3.02Å; A232-V235 PolarHBondContact O-N 3.44Å; V235-P272 HydrophobicContact CB-CB 4.41Å; V235-P272 HydrophobicContact CG1-CB 4.19Å; V235-P272 HydrophobicContact CG2-CB 4.39Å; V235-V281 HydrophobicContact CG1-CG1 4.16Å; V235-V281 HydrophobicContact CG1-CG2 4.4Å; V235-H284 HydrophobicContact CG1-CB 4.12Å; V235-L297 HydrophobicContact CG1-CD2 3.81Å; V235-L297 HydrophobicContact CG2-CD2 3.78Å
236	E	98.7	Very high	98.6	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.047	23%	0.228	C	C	.	.			trans	-128.3	74.1	-178.3	-62.5	-174.1	101.7	0	0	111.2	A232 R233 Q238 N239 I242 R275 S280 V281	A232-E236 PolarHBondContact O-N 3.44Å; R233-E236 CarbonylContact O-C 3.54Å; E236-Q238 PolarHBondContact O-N 2.86Å; E236-Q238 VanDerWaalsContact O-N 3.13Å; E236-N239 HydrophobicContact CB-CB 3.82Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 3.42Å; E236-I242 HydrophobicContact CB-CD1 3.86Å; E236-R275 IonicContact OE1-CZ 2.79Å; E236-R275 IonicContact OE1-NE 2.9Å; E236-R275 IonicContact OE1-NH2 3.6Å; E236-R275 PolarHBondContact OE1-NH2 2.83Å; E236-R275 IonicContact OE2-CZ 3.43Å; E236-R275 IonicContact OE2-NE 3.63Å; E236-R275 PolarHBondContact OE2-NE 3.07Å; E236-R275 IonicContact OE2-NH2 2.78Å; E236-R275 PolarHBondContact OE2-NH2 3.02Å; E236-S280 WeakPolarHBondContact OE1-CB 3.19Å; E236-S280 PolarHBondContact OE1-OG 3.18Å; E236-V281 HydrophobicContact CG-CG2 3.82Å
237	P	98.2	Very high	98.6	Very high	68 Å²	68	47.9 Å²	47.9	44%	0.442	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.7	-173.9	22.8	-33.8	0	0	0	114	R233 Q243	R233-P237 WeakPolarHBondContact O-CA 3.26Å; P237-Q243 PolarHBondContact O-NE2 2.83Å
238	Q	97.9	Very high	98.6	Very high	171 Å²	171	49.9 Å²	49.9	80%	0.799	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.7	179.7	-55	-55.9	-32.9	0	0	113.6	E236 E240	E236-Q238 PolarHBondContact O-N 2.86Å; E236-Q238 VanDerWaalsContact O-N 3.13Å; Q238-E240 PolarHBondContact O-N 3.06Å
239	N	98.6	Very high	98.6	Very high	24 Å²	24	49.8 Å²	49.8	13%	0.128	25%	0.245	C	C	.	.			trans	-79.8	101.3	177.9	-177.9	-17.7	0	0	0	110.1	E236 V241 I242 Q243 T269	E236-N239 HydrophobicContact CB-CB 3.82Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 3.42Å; N239-V241 PolarHBondContact O-N 2.82Å; N239-V241 WeakPolarHBondContact OD1-CB 3.49Å; N239-V241 PolarHBondContact OD1-N 2.88Å; N239-I242 HydrophobicContact CB-CB 4.49Å; N239-I242 HydrophobicContact CB-CD1 3.74Å; N239-I242 HydrophobicContact CB-CG1 4.06Å; N239-I242 WeakPolarHBondContact O-CB 3.47Å; N239-I242 PolarHBondContact O-N 3.24Å; N239-I242 PolarHBondContact OD1-N 2.6Å; N239-Q243 PolarHBondContact O-N 2.88Å; N239-T269 PolarHBondContact ND2-O 2.9Å
240	E	98.6	Very high	98.5	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-60.6	-28.2	-179.5	-66.8	-171.1	-172.5	0	0	113.8	Q238 I242 Q243 K244	Q238-E240 PolarHBondContact O-N 3.06Å; E240-I242 VanDerWaalsContact C-N 3.32Å; E240-Q243 PolarHBondContact O-N 2.89Å; E240-K244 WeakPolarHBondContact O-CG 3.38Å; E240-K244 PolarHBondContact O-N 2.7Å; E240-K244 IonicContact OE2-NZ 3.42Å; E240-K244 PolarHBondContact OE2-NZ 2.84Å
241	V	98.7	Very high	98.5	Very high	65 Å²	65	58.6 Å²	58.6	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-40.7	179.8	-175.1	0	0	0	0	109.9	N239 Q243 K244 K245 T269 F270	N239-V241 PolarHBondContact O-N 2.82Å; N239-V241 WeakPolarHBondContact OD1-CB 3.49Å; N239-V241 PolarHBondContact OD1-N 2.88Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 2.99Å; V241-K244 PolarHBondContact O-N 2.91Å; V241-K245 VanDerWaalsContact O-CB 3.26Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.06Å; V241-T269 WeakPolarHBondContact CG1-OG1 3.4Å; V241-F270 HydrophobicContact CG1-CD1 4.24Å
242	I	98.8	Very high	98.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-44.8	174.5	-64.1	173.3	0	0	0	110.6	L229 A232 R233 E236 N239 E240 K245 L246 F270	L229-I242 HydrophobicContact CD2-CG2 4.22Å; A232-I242 HydrophobicContact CB-CD1 3.92Å; A232-I242 HydrophobicContact CB-CG1 4.33Å; A232-I242 HydrophobicContact CB-CG2 3.94Å; A232-I242 WeakPolarHBondContact O-CD1 3.36Å; R233-I242 HydrophobicContact CB-CG2 3.87Å; E236-I242 HydrophobicContact CB-CD1 3.86Å; N239-I242 HydrophobicContact CB-CB 4.49Å; N239-I242 HydrophobicContact CB-CD1 3.74Å; N239-I242 HydrophobicContact CB-CG1 4.06Å; N239-I242 WeakPolarHBondContact O-CB 3.47Å; N239-I242 PolarHBondContact O-N 3.24Å; N239-I242 PolarHBondContact OD1-N 2.6Å; E240-I242 VanDerWaalsContact C-N 3.32Å; I242-K245 PolarHBondContact O-N 3.07Å; I242-L246 VanDerWaalsContact O-CB 3.27Å; I242-L246 WeakPolarHBondContact O-CB 3.37Å; I242-L246 PolarHBondContact O-N 3.03Å; I242-F270 HydrophobicContact CG1-CB 3.65Å
243	Q	98.3	Very high	98.1	Very high	93 Å²	93	63.2 Å²	63.2	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-46.7	-178.7	-59.7	-179	32.6	0	0	111.5	P237 N239 E240 V241 L246 A247	P237-Q243 PolarHBondContact O-NE2 2.83Å; N239-Q243 PolarHBondContact O-N 2.88Å; E240-Q243 PolarHBondContact O-N 2.89Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 2.99Å; Q243-L246 PolarHBondContact O-N 2.84Å; Q243-A247 PolarHBondContact O-N 3.44Å
244	K	98.6	Very high	97.9	Very high	134 Å²	134	62.9 Å²	62.9	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-45.3	176.9	-70.4	168.8	-172.3	157.7	0	111.2	E240 V241 L246 A247 W248	E240-K244 WeakPolarHBondContact O-CG 3.38Å; E240-K244 PolarHBondContact O-N 2.7Å; E240-K244 IonicContact OE2-NZ 3.42Å; E240-K244 PolarHBondContact OE2-NZ 2.84Å; V241-K244 PolarHBondContact O-N 2.91Å; K244-L246 VanDerWaalsContact C-N 3.34Å; K244-L246 PolarHBondContact O-N 3.09Å; K244-A247 PolarHBondContact O-N 3.1Å; K244-W248 PolarHBondContact O-N 3.3Å
245	K	98.6	Very high	97.7	Very high	31 Å²	31	62.8 Å²	62.8	14%	0.135	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-36.1	178	-164.5	72.2	172.8	-173.9	0	111.8	L229 V241 I242 W248 A249 D266 F270	L229-K245 HydrophobicContact CD1-CB 4.19Å; L229-K245 HydrophobicContact CD1-CG 3.81Å; L229-K245 HydrophobicContact CD2-CB 4.08Å; L229-K245 HydrophobicContact CD2-CG 4.09Å; V241-K245 VanDerWaalsContact O-CB 3.26Å; V241-K245 WeakPolarHBondContact O-CB 3.38Å; V241-K245 PolarHBondContact O-N 3.06Å; I242-K245 PolarHBondContact O-N 3.07Å; K245-W248 HydrophobicContact CD-CD2 4.48Å; K245-W248 HydrophobicContact CD-CE3 3.79Å; K245-W248 HydrophobicContact CD-CZ3 4.13Å; K245-W248 HydrophobicContact CG-CE3 4.33Å; K245-W248 PolarHBondContact O-N 2.89Å; K245-A249 VanDerWaalsContact O-CB 3.3Å; K245-A249 WeakPolarHBondContact O-CB 3.39Å; K245-A249 PolarHBondContact O-N 3.42Å; K245-D266 IonicContact NZ-OD2 2.63Å; K245-D266 PolarHBondContact NZ-OD2 3.19Å; K245-F270 HydrophobicContact CB-CD1 4.39Å; K245-F270 HydrophobicContact CD-CD1 4.42Å; K245-F270 HydrophobicContact CD-CE1 3.97Å; K245-F270 HydrophobicContact CG-CD1 4.07Å; K245-F270 HydrophobicContact CG-CE1 3.98Å; K245-F270 HydrophobicContact CG-CZ 4.4Å
246	L	98.7	Very high	97.5	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-42.6	176	178.1	58.1	0	0	0	111.9	V226 L229 K230 I242 Q243 K244 A249 K250	V226-L246 HydrophobicContact CG1-CD1 4.13Å; L229-L246 HydrophobicContact CB-CB 4.02Å; L229-L246 HydrophobicContact CB-CD1 3.78Å; L229-L246 HydrophobicContact CB-CG 4.39Å; L229-L246 HydrophobicContact CD1-CB 4.44Å; K230-L246 HydrophobicContact CG-CD1 4.11Å; K230-L246 HydrophobicContact CG-CD2 4.23Å; I242-L246 VanDerWaalsContact O-CB 3.27Å; I242-L246 WeakPolarHBondContact O-CB 3.37Å; I242-L246 PolarHBondContact O-N 3.03Å; Q243-L246 PolarHBondContact O-N 2.84Å; K244-L246 VanDerWaalsContact C-N 3.34Å; K244-L246 PolarHBondContact O-N 3.09Å; L246-A249 PolarHBondContact O-N 3.37Å; L246-K250 HydrophobicContact CD1-CG 4.37Å; L246-K250 WeakPolarHBondContact O-CG 3.38Å; L246-K250 PolarHBondContact O-N 3.43Å
247	A	98.4	Very high	97.4	Very high	60 Å²	60	65.4 Å²	65.4	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-60.5	-49.1	175.2	0	0	0	0	0	111	Q243 K244 A249 K250 E251	Q243-A247 PolarHBondContact O-N 3.44Å; K244-A247 PolarHBondContact O-N 3.1Å; A247-A249 PolarHBondContact O-N 3.46Å; A247-K250 PolarHBondContact O-N 2.99Å; A247-E251 PolarHBondContact O-N 3.15Å; A247-E251 VanDerWaalsContact O-N 3.16Å
248	W	98.6	Very high	97.4	Very high	80 Å²	80	62.6 Å²	62.6	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-57.1	-45.3	174.9	168.6	84.6	0	0	0	112.8	K244 K245 K250 E251 K252 T259	K244-W248 PolarHBondContact O-N 3.3Å; K245-W248 HydrophobicContact CD-CD2 4.48Å; K245-W248 HydrophobicContact CD-CE3 3.79Å; K245-W248 HydrophobicContact CD-CZ3 4.13Å; K245-W248 HydrophobicContact CG-CE3 4.33Å; K245-W248 PolarHBondContact O-N 2.89Å; W248-K250 VanDerWaalsContact C-N 3.34Å; W248-K250 PolarHBondContact O-N 2.93Å; W248-E251 PolarHBondContact O-N 3.38Å; W248-K252 HydrophobicContact CD2-CG 4.18Å; W248-K252 HydrophobicContact CH2-CG 4.49Å; W248-K252 HydrophobicContact CZ2-CD 4.4Å; W248-K252 HydrophobicContact CZ2-CG 3.86Å; W248-K252 WeakPolarHBondContact O-CG 3.43Å; W248-K252 PolarHBondContact O-N 3.45Å; W248-T259 HydrophobicContact CH2-CG2 4.37Å; W248-T259 WeakPolarHBondContact CH2-O 3.46Å; W248-T259 HydrophobicContact CZ3-CG2 4.11Å
249	A	98.3	Very high	97.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-38.8	-178.5	0	0	0	0	0	111.9	T225 V226 L229 K245 L246 A247 C253 T259	T225-A249 HydrophobicContact CG2-CB 3.9Å; V226-A249 HydrophobicContact CG2-CB 3.9Å; L229-A249 HydrophobicContact CD1-CB 3.86Å; K245-A249 VanDerWaalsContact O-CB 3.3Å; K245-A249 WeakPolarHBondContact O-CB 3.39Å; K245-A249 PolarHBondContact O-N 3.42Å; L246-A249 PolarHBondContact O-N 3.37Å; A247-A249 PolarHBondContact O-N 3.46Å; A249-C253 WeakPolarHBondContact O-CB 3.27Å; A249-C253 PolarHBondContact O-N 2.82Å; A249-C253 PolarHBondContact O-SG 3.48Å; A249-T259 HydrophobicContact CB-CG2 4.01Å
250	K	97.4	Very high	97.4	Very high	80 Å²	80	53.6 Å²	53.6	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.5	-75.6	175.3	173	-174.7	0	111.9	V226 L246 A247 W248 C253 S254 E309	V226-K250 HydrophobicContact CG1-CG 4.18Å; V226-K250 HydrophobicContact CG2-CG 4.37Å; L246-K250 HydrophobicContact CD1-CG 4.37Å; L246-K250 WeakPolarHBondContact O-CG 3.38Å; L246-K250 PolarHBondContact O-N 3.43Å; A247-K250 PolarHBondContact O-N 2.99Å; W248-K250 VanDerWaalsContact C-N 3.34Å; W248-K250 PolarHBondContact O-N 2.93Å; K250-C253 PolarHBondContact O-N 3.5Å; K250-S254 PolarHBondContact O-N 3.32Å; K250-S254 PolarHBondContact O-OG 3.49Å; K250-E309 WeakPolarHBondContact CE-OXT 3.3Å; K250-E309 PolarHBondContact NZ-OXT 3.47Å
251	E	97.4	Very high	97.4	Very high	124 Å²	124	49.4 Å²	49.4	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-49.3	177.6	-175.4	176.5	-162.4	0	0	111.2	A247 W248 C253 S254 D255	A247-E251 PolarHBondContact O-N 3.15Å; A247-E251 VanDerWaalsContact O-N 3.16Å; W248-E251 PolarHBondContact O-N 3.38Å; E251-C253 PolarHBondContact O-N 3.38Å; E251-S254 WeakPolarHBondContact CA-OG 3.47Å; E251-S254 PolarHBondContact O-N 3.24Å; E251-S254 VanDerWaalsContact O-N 3.15Å; E251-S254 PolarHBondContact O-OG 3.44Å; E251-D255 PolarHBondContact O-N 3.35Å
252	K	96.6	Very high	97.4	Very high	60 Å²	60	46.5 Å²	46.5	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-55.1	-49.5	175.1	-73.6	-72.1	175.2	-178.6	0	112.4	W248 S254 D255 G256 E257 T259	W248-K252 HydrophobicContact CD2-CG 4.18Å; W248-K252 HydrophobicContact CH2-CG 4.49Å; W248-K252 HydrophobicContact CZ2-CD 4.4Å; W248-K252 HydrophobicContact CZ2-CG 3.86Å; W248-K252 WeakPolarHBondContact O-CG 3.43Å; W248-K252 PolarHBondContact O-N 3.45Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 2.9Å; K252-D255 PolarHBondContact O-N 2.89Å; K252-D255 VanDerWaalsContact O-N 3.16Å; K252-G256 PolarHBondContact O-N 2.91Å; K252-E257 CarbonylContact C-O 3.57Å; K252-E257 HydrophobicContact CB-CB 4.42Å; K252-E257 HydrophobicContact CD-CB 3.83Å; K252-E257 VanDerWaalsContact CD-OE2 3.23Å; K252-E257 WeakPolarHBondContact CD-OE2 3.38Å; K252-E257 WeakPolarHBondContact CE-OE2 3.39Å; K252-E257 IonicContact NZ-OE2 3.46Å; K252-E257 PolarHBondContact NZ-OE2 2.62Å; K252-E257 PolarHBondContact O-N 3.46Å; K252-T259 HydrophobicContact CB-CG2 4.15Å
253	C	94.6	Very high	97.4	Very high	38 Å²	38	48.1 Å²	48.1	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-35.7	179.1	-67.2	0	0	0	0	112.8	A249 K250 E251 D255 G256	A249-C253 WeakPolarHBondContact O-CB 3.27Å; A249-C253 PolarHBondContact O-N 2.82Å; A249-C253 PolarHBondContact O-SG 3.48Å; K250-C253 PolarHBondContact O-N 3.5Å; E251-C253 PolarHBondContact O-N 3.38Å; C253-D255 PolarHBondContact O-N 2.85Å; C253-G256 PolarHBondContact O-N 2.99Å; C253-G256 VanDerWaalsContact O-N 3.17Å
254	S	94.3	Very high	97.4	Very high	73 Å²	73	43.7 Å²	43.7	51%	0.51	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-27.5	175.1	56.3	0	0	0	0	112.8	T38 K250 E251 K252 G256	T38-S254 VanDerWaalsContact CG2-O 3.3Å; T38-S254 WeakPolarHBondContact CG2-O 3.4Å; K250-S254 PolarHBondContact O-N 3.32Å; K250-S254 PolarHBondContact O-OG 3.49Å; E251-S254 WeakPolarHBondContact CA-OG 3.47Å; E251-S254 PolarHBondContact O-N 3.24Å; E251-S254 VanDerWaalsContact O-N 3.15Å; E251-S254 PolarHBondContact O-OG 3.44Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 2.9Å; S254-G256 VanDerWaalsContact C-N 3.3Å
255	D	94.6	Very high	97.4	Very high	79 Å²	79	39.3 Å²	39.3	42%	0.422	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.2	175.9	-66	-19.4	0	0	0	113.4	K41 E251 K252 C253 E257	K41-D255 WeakPolarHBondContact CE-O 3.43Å; K41-D255 PolarHBondContact NZ-O 3.43Å; E251-D255 PolarHBondContact O-N 3.35Å; K252-D255 PolarHBondContact O-N 2.89Å; K252-D255 VanDerWaalsContact O-N 3.16Å; C253-D255 PolarHBondContact O-N 2.85Å; D255-E257 HydrophobicContact CB-CG 4.18Å; D255-E257 PolarHBondContact O-N 3.46Å
256	G	94.6	Very high	97.4	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	17.4	-175.3	0	0	0	0	0	113.5	K41 K252 C253 S254	K41-G256 PolarHBondContact N-O 3.04Å; K252-G256 PolarHBondContact O-N 2.91Å; C253-G256 PolarHBondContact O-N 2.99Å; C253-G256 VanDerWaalsContact O-N 3.17Å; S254-G256 VanDerWaalsContact C-N 3.3Å
257	E	96	Very high	97.4	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	22%	0.224	S	C	.	.			trans	-88.8	144.8	176.8	-62.5	-169.7	172.9	0	0	111.2	K252 D255	K252-E257 CarbonylContact C-O 3.57Å; K252-E257 HydrophobicContact CB-CB 4.42Å; K252-E257 HydrophobicContact CD-CB 3.83Å; K252-E257 VanDerWaalsContact CD-OE2 3.23Å; K252-E257 WeakPolarHBondContact CD-OE2 3.38Å; K252-E257 WeakPolarHBondContact CE-OE2 3.39Å; K252-E257 IonicContact NZ-OE2 3.46Å; K252-E257 PolarHBondContact NZ-OE2 2.62Å; K252-E257 PolarHBondContact O-N 3.46Å; D255-E257 HydrophobicContact CB-CG 4.18Å; D255-E257 PolarHBondContact O-N 3.46Å
258	P	97.3	Very high	97.4	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.065	22%	0.216	C	C	.	.			trans	-68.6	151.1	175.7	28.8	-34.2	0	0	0	111.5	H43 L54 Y62 E223 I260	H43-P258 HydrophobicContact CB-CG 3.46Å; H43-P258 VanDerWaalsContact CB-CG 3.46Å; L54-P258 HydrophobicContact CD2-CB 3.87Å; L54-P258 HydrophobicContact CD2-CG 4.02Å; Y62-P258 HydrophobicContact CE1-CB 4.03Å; Y62-P258 HydrophobicContact CE2-CB 4.45Å; Y62-P258 WeakPolarHBondContact OH-CA 3.42Å; Y62-P258 VanDerWaalsContact OH-CB 3.25Å; Y62-P258 WeakPolarHBondContact OH-CB 3.47Å; E223-P258 WeakPolarHBondContact OE2-CA 3.27Å; P258-I260 VanDerWaalsContact C-N 3.28Å
259	T	98.5	Very high	97.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.217	C	C	.	.			trans	-92.2	7.9	170.2	65.8	0	0	0	0	113.1	E223 T225 W248 A249 K252	E223-T259 WeakPolarHBondContact OE1-CB 3.31Å; E223-T259 WeakPolarHBondContact OE1-CG2 3.45Å; E223-T259 PolarHBondContact OE1-OG1 3.04Å; E223-T259 PolarHBondContact OE2-N 3.35Å; E223-T259 PolarHBondContact OE2-OG1 3.46Å; T225-T259 WeakPolarHBondContact CB-OG1 3.32Å; T225-T259 HydrophobicContact CG2-CG2 4.15Å; T225-T259 PolarHBondContact OG1-OG1 3.35Å; W248-T259 HydrophobicContact CH2-CG2 4.37Å; W248-T259 WeakPolarHBondContact CH2-O 3.46Å; W248-T259 HydrophobicContact CZ3-CG2 4.11Å; A249-T259 HydrophobicContact CB-CG2 4.01Å; K252-T259 HydrophobicContact CB-CG2 4.15Å
260	I	98.5	Very high	97.5	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	22%	0.217	C	C	.	.			trans	-110.9	142.3	-178	-59.4	175	0	0	0	108.4	L54 Y62 Y64 V187 Y219 C220 P258	L54-I260 HydrophobicContact CD2-CB 3.76Å; L54-I260 HydrophobicContact CD2-CG2 3.85Å; L54-I260 WeakPolarHBondContact CD2-O 3.2Å; Y62-I260 HydrophobicContact CD2-CD1 3.43Å; Y62-I260 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I260 HydrophobicContact CE2-CD1 3.64Å; Y62-I260 HydrophobicContact CE2-CG1 4.4Å; Y62-I260 HydrophobicContact CG-CD1 4.39Å; Y64-I260 HydrophobicContact CE1-CG2 4.19Å; Y64-I260 WeakPolarHBondContact OH-CD1 3.28Å; V187-I260 HydrophobicContact CG2-CG1 4.1Å; Y219-I260 HydrophobicContact CD1-CG2 3.89Å; Y219-I260 HydrophobicContact CG-CG2 4.46Å; C220-I260 WeakPolarHBondContact SG-CD1 3.36Å; P258-I260 VanDerWaalsContact C-N 3.28Å
261	P	98.4	Very high	97.5	Very high	32 Å²	32	36 Å²	36	21%	0.208	20%	0.2	C	C	.	.			cis	-83.4	156.4	1	32.9	-35.5	0	0	0	114.2	V45 R217 V218 Y219	V45-P261 HydrophobicContact CG2-CG 4.07Å; R217-P261 HydrophobicContact CB-CB 4.09Å; R217-P261 HydrophobicContact CB-CG 4.45Å; V218-P261 VanDerWaalsContact O-CA 3.26Å; V218-P261 WeakPolarHBondContact O-CA 3.46Å; V218-P261 VanDerWaalsContact O-CB 3.27Å; V218-P261 WeakPolarHBondContact O-CB 3.39Å; Y219-P261 HydrophobicContact CD1-CB 3.94Å; Y219-P261 HydrophobicContact CD1-CG 4.46Å; Y219-P261 HydrophobicContact CD2-CB 4.45Å; Y219-P261 HydrophobicContact CE1-CB 3.64Å; Y219-P261 HydrophobicContact CE1-CG 3.71Å; Y219-P261 HydrophobicContact CE2-CB 4.18Å; Y219-P261 HydrophobicContact CG-CB 4.35Å
262	S	98.6	Very high	97.6	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-168.9	156.3	68.5	0	0	0	0	110.3	R217 V218 E267	R217-S262 CarbonylContact C-O 3.47Å; R217-S262 WeakPolarHBondContact CA-O 3.26Å; V218-S262 PolarHBondContact N-O 2.84Å; V218-S262 PolarHBondContact O-N 2.98Å; S262-E267 VanDerWaalsContact CB-OE1 3.23Å; S262-E267 WeakPolarHBondContact CB-OE1 3.29Å; S262-E267 PolarHBondContact OG-OE1 2.9Å
263	T	98.9	Very high	97.7	Very high	34 Å²	34	27.2 Å²	27.2	21%	0.209	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160	168.9	66.1	0	0	0	0	110.7	T216 A265 D266 E267	T216-T263 VanDerWaalsContact O-CA 3.29Å; T216-T263 WeakPolarHBondContact O-CA 3.23Å; T263-A265 VanDerWaalsContact C-N 3.27Å; T263-A265 PolarHBondContact O-N 3.5Å; T263-D266 VanDerWaalsContact O-CB 3.32Å; T263-D266 WeakPolarHBondContact O-CB 3.41Å; T263-D266 PolarHBondContact O-N 3.26Å; T263-D266 WeakPolarHBondContact OG1-CB 3.39Å; T263-D266 PolarHBondContact OG1-N 2.98Å; T263-D266 VanDerWaalsContact OG1-N 3.09Å; T263-D266 PolarHBondContact OG1-OD1 3.39Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.06Å
264	L	98.8	Very high	97.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-37.4	173.9	-72.1	174.5	0	0	0	112.3	L185 L209 L212 P214 T216 V218 D266 E267 F268 M274	L185-L264 HydrophobicContact CD2-CD2 3.91Å; L209-L264 VanDerWaalsContact O-CD1 3.28Å; L209-L264 WeakPolarHBondContact O-CD1 3.45Å; L212-L264 HydrophobicContact CB-CD1 3.53Å; L212-L264 HydrophobicContact CD1-CD1 4.21Å; L212-L264 HydrophobicContact CG-CD1 4.39Å; P214-L264 PolarHBondContact O-N 3.43Å; T216-L264 HydrophobicContact CG2-CD1 4.32Å; T216-L264 PolarHBondContact O-N 2.98Å; T216-L264 VanDerWaalsContact O-N 3.07Å; V218-L264 HydrophobicContact CG2-CD2 3.79Å; V218-L264 HydrophobicContact CG2-CG 3.94Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 3.44Å; L264-E267 PolarHBondContact O-N 2.74Å; L264-F268 WeakPolarHBondContact O-CD2 3.37Å; L264-F268 PolarHBondContact O-N 3.21Å; L264-M274 HydrophobicContact CD2-CE 4.34Å
265	A	98.8	Very high	98.1	Very high	41 Å²	41	23.7 Å²	23.7	34%	0.339	13%	0.13	S	C	.	.	H	α-helix	trans	-55.6	-49.6	172.8	0	0	0	0	0	111.4	P214 T263 E267 F268	P214-A265 HydrophobicContact CB-CB 3.96Å; P214-A265 WeakPolarHBondContact O-CB 3.21Å; P214-A265 PolarHBondContact O-N 2.88Å; T263-A265 VanDerWaalsContact C-N 3.27Å; T263-A265 PolarHBondContact O-N 3.5Å; A265-E267 PolarHBondContact O-N 3.45Å; A265-F268 PolarHBondContact O-N 3.04Å
266	D	98.3	Very high	98.3	Very high	58 Å²	58	19.9 Å²	19.9	31%	0.31	11%	0.11	S	C	.	.	H	α-helix	trans	-55.1	-49.5	175.5	-89.6	17.9	0	0	0	111	K245 T263 L264 F268 T269 F270	K245-D266 IonicContact NZ-OD2 2.63Å; K245-D266 PolarHBondContact NZ-OD2 3.19Å; T263-D266 VanDerWaalsContact O-CB 3.32Å; T263-D266 WeakPolarHBondContact O-CB 3.41Å; T263-D266 PolarHBondContact O-N 3.26Å; T263-D266 WeakPolarHBondContact OG1-CB 3.39Å; T263-D266 PolarHBondContact OG1-N 2.98Å; T263-D266 VanDerWaalsContact OG1-N 3.09Å; T263-D266 PolarHBondContact OG1-OD1 3.39Å; L264-D266 VanDerWaalsContact C-N 3.34Å; L264-D266 PolarHBondContact O-N 3.44Å; D266-F268 VanDerWaalsContact C-N 3.27Å; D266-F268 PolarHBondContact O-N 2.87Å; D266-T269 WeakPolarHBondContact O-CB 3.32Å; D266-T269 PolarHBondContact O-N 3.28Å; D266-T269 PolarHBondContact O-OG1 3.35Å; D266-F270 HydrophobicContact CB-CE1 3.61Å; D266-F270 HydrophobicContact CB-CZ 3.87Å; D266-F270 VanDerWaalsContact O-CD1 3.23Å; D266-F270 WeakPolarHBondContact O-CD1 3.42Å; D266-F270 WeakPolarHBondContact O-CE1 3.1Å
267	E	98.9	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-35.6	-177.1	-64.5	-55.9	132.6	0	0	112.7	L185 V187 A188 S262 T263 L264 A265 T269 F270 N271 M274	L185-E267 HydrophobicContact CD1-CG 4.49Å; L185-E267 HydrophobicContact CD2-CG 4.43Å; V187-E267 WeakPolarHBondContact CA-OE1 3.42Å; A188-E267 PolarHBondContact N-OE2 3.23Å; S262-E267 VanDerWaalsContact CB-OE1 3.23Å; S262-E267 WeakPolarHBondContact CB-OE1 3.29Å; S262-E267 PolarHBondContact OG-OE1 2.9Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.06Å; L264-E267 PolarHBondContact O-N 2.74Å; A265-E267 PolarHBondContact O-N 3.45Å; E267-T269 PolarHBondContact O-N 2.87Å; E267-F270 VanDerWaalsContact CD-CE2 3.49Å; E267-F270 PolarHBondContact O-N 3.45Å; E267-F270 VanDerWaalsContact OE1-CE2 3.28Å; E267-F270 WeakPolarHBondContact OE1-CE2 3.46Å; E267-F270 VanDerWaalsContact OE1-CZ 3.28Å; E267-F270 WeakPolarHBondContact OE1-CZ 3.31Å; E267-F270 WeakPolarHBondContact OE2-CE2 3.43Å; E267-N271 HydrophobicContact CB-CB 4.23Å; E267-N271 WeakPolarHBondContact O-CB 3.17Å; E267-N271 PolarHBondContact O-N 3.25Å; E267-N271 WeakPolarHBondContact OE2-CB 3.49Å; E267-N271 PolarHBondContact OE2-ND2 3.03Å; E267-M274 HydrophobicContact CB-CG 4.06Å
268	F	98.9	Very high	98.7	Very high	76 Å²	76	26.5 Å²	26.5	33%	0.333	14%	0.139	S	C	.	.	H	α-helix	trans	-66.4	-13.4	174.4	-78.1	-67.3	0	0	0	114	I206 L264 A265 D266 M274 R275	I206-F268 HydrophobicContact CD1-CE1 4.31Å; L264-F268 WeakPolarHBondContact O-CD2 3.37Å; L264-F268 PolarHBondContact O-N 3.21Å; A265-F268 PolarHBondContact O-N 3.04Å; D266-F268 VanDerWaalsContact C-N 3.27Å; D266-F268 PolarHBondContact O-N 2.87Å; F268-M274 HydrophobicContact CD1-CB 4.06Å; F268-M274 HydrophobicContact CD1-CE 4.46Å; F268-M274 WeakPolarHBondContact CD1-O 3.25Å; F268-M274 HydrophobicContact CD2-CE 4.37Å; F268-M274 HydrophobicContact CE1-CB 4.26Å; F268-M274 HydrophobicContact CE1-CE 3.94Å; F268-M274 WeakPolarHBondContact CE1-O 3.28Å; F268-M274 HydrophobicContact CE2-CE 3.84Å; F268-M274 HydrophobicContact CZ-CE 3.61Å; F268-R275 WeakPolarHBondContact O-CD 3.24Å; F268-R275 WeakPolarHBondContact O-CG 3.31Å; F268-R275 PolarHBondContact O-NH1 3.44Å
269	T	98.8	Very high	98.7	Very high	52 Å²	52	32.4 Å²	32.4	32%	0.319	16%	0.164	S	C	.	.	H	α-helix	trans	-92	-28.2	178.6	71.7	0	0	0	0	114.1	N239 V241 D266 E267	N239-T269 PolarHBondContact ND2-O 2.9Å; V241-T269 WeakPolarHBondContact CG1-OG1 3.4Å; D266-T269 WeakPolarHBondContact O-CB 3.32Å; D266-T269 PolarHBondContact O-N 3.28Å; D266-T269 PolarHBondContact O-OG1 3.35Å; E267-T269 PolarHBondContact O-N 2.87Å
270	F	98.8	Very high	98.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-135	-12.9	-172	57.7	-115.1	0	0	0	115.7	V187 A188 L229 A232 V241 I242 K245 D266 E267 P272	V187-F270 HydrophobicContact CG1-CE2 4.03Å; V187-F270 HydrophobicContact CG1-CZ 4.14Å; A188-F270 HydrophobicContact CB-CD2 3.59Å; A188-F270 HydrophobicContact CB-CE2 3.81Å; L229-F270 HydrophobicContact CD2-CB 4.37Å; L229-F270 HydrophobicContact CD2-CD2 4.16Å; L229-F270 HydrophobicContact CD2-CG 4.36Å; A232-F270 WeakPolarHBondContact CB-O 3.41Å; V241-F270 HydrophobicContact CG1-CD1 4.24Å; I242-F270 HydrophobicContact CG1-CB 3.65Å; K245-F270 HydrophobicContact CB-CD1 4.39Å; K245-F270 HydrophobicContact CD-CD1 4.42Å; K245-F270 HydrophobicContact CD-CE1 3.97Å; K245-F270 HydrophobicContact CG-CD1 4.07Å; K245-F270 HydrophobicContact CG-CE1 3.98Å; K245-F270 HydrophobicContact CG-CZ 4.4Å; D266-F270 HydrophobicContact CB-CE1 3.61Å; D266-F270 HydrophobicContact CB-CZ 3.87Å; D266-F270 VanDerWaalsContact O-CD1 3.23Å; D266-F270 WeakPolarHBondContact O-CD1 3.42Å; D266-F270 WeakPolarHBondContact O-CE1 3.1Å; E267-F270 VanDerWaalsContact CD-CE2 3.49Å; E267-F270 PolarHBondContact O-N 3.45Å; E267-F270 VanDerWaalsContact OE1-CE2 3.28Å; E267-F270 WeakPolarHBondContact OE1-CE2 3.46Å; E267-F270 VanDerWaalsContact OE1-CZ 3.28Å; E267-F270 WeakPolarHBondContact OE1-CZ 3.31Å; E267-F270 WeakPolarHBondContact OE2-CE2 3.43Å; F270-P272 WeakPolarHBondContact O-CD 3.39Å
271	N	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.			trans	-87.8	112.5	-177.1	-172.4	-31.1	0	0	0	110.1	L185 F186 A188 G189 E267 F273 M274 R275	L185-N271 WeakPolarHBondContact CD1-ND2 3.42Å; F186-N271 PolarHBondContact O-ND2 2.59Å; A188-N271 VanDerWaalsContact C-CG 3.41Å; G189-N271 PolarHBondContact N-ND2 2.94Å; G189-N271 PolarHBondContact O-ND2 3.03Å; E267-N271 HydrophobicContact CB-CB 4.23Å; E267-N271 WeakPolarHBondContact O-CB 3.17Å; E267-N271 PolarHBondContact O-N 3.25Å; E267-N271 WeakPolarHBondContact OE2-CB 3.49Å; E267-N271 PolarHBondContact OE2-ND2 3.03Å; N271-F273 PolarHBondContact O-N 3.24Å; N271-F273 VanDerWaalsContact O-N 3.11Å; N271-F273 WeakPolarHBondContact OD1-CB 3.5Å; N271-F273 PolarHBondContact OD1-N 3.48Å; N271-M274 HydrophobicContact CB-CB 4.01Å; N271-M274 HydrophobicContact CB-CG 3.87Å; N271-M274 PolarHBondContact O-N 3.09Å; N271-R275 WeakPolarHBondContact O-CB 3.25Å; N271-R275 WeakPolarHBondContact O-CD 3.28Å; N271-R275 VanDerWaalsContact O-CG 3.25Å; N271-R275 WeakPolarHBondContact O-CG 3.34Å; N271-R275 PolarHBondContact O-N 3.21Å; N271-R275 VanDerWaalsContact O-N 3.09Å
272	P	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.4	-175.5	24.7	-33.9	0	0	0	112.5	F231 A232 V235 F270 R275 V276 L297	F231-P272 HydrophobicContact CD1-CG 4.09Å; F231-P272 HydrophobicContact CE1-CG 4.15Å; A232-P272 HydrophobicContact CB-CG 4.2Å; V235-P272 HydrophobicContact CB-CB 4.41Å; V235-P272 HydrophobicContact CG1-CB 4.19Å; V235-P272 HydrophobicContact CG2-CB 4.39Å; F270-P272 WeakPolarHBondContact O-CD 3.39Å; P272-R275 CarbonylContact O-C 3.55Å; P272-R275 PolarHBondContact O-N 2.63Å; P272-V276 PolarHBondContact O-N 2.87Å; P272-L297 HydrophobicContact CB-CD1 4.31Å
273	F	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-26.6	178.2	-56.6	-75.7	0	0	0	113.2	C190 L205 F231 N271 R275 V276 M294 L297 R298 K301	C190-F273 HydrophobicContact CB-CB 4.24Å; C190-F273 HydrophobicContact CB-CD2 4.07Å; C190-F273 HydrophobicContact CB-CG 4.09Å; C190-F273 WeakPolarHBondContact SG-CD1 3.34Å; C190-F273 VanDerWaalsContact SG-CD2 3.57Å; C190-F273 WeakPolarHBondContact SG-CG 3.48Å; L205-F273 HydrophobicContact CD1-CB 3.77Å; F231-F273 HydrophobicContact CE1-CZ 4.21Å; N271-F273 PolarHBondContact O-N 3.24Å; N271-F273 VanDerWaalsContact O-N 3.11Å; N271-F273 WeakPolarHBondContact OD1-CB 3.5Å; N271-F273 PolarHBondContact OD1-N 3.48Å; F273-R275 VanDerWaalsContact C-N 3.3Å; F273-V276 WeakPolarHBondContact O-CG1 3.3Å; F273-M294 HydrophobicContact CB-CE 4.29Å; F273-M294 HydrophobicContact CB-SD 4.1Å; F273-M294 HydrophobicContact CD1-SD 3.64Å; F273-M294 HydrophobicContact CG-SD 4.33Å; F273-M294 VanDerWaalsContact O-CE 3.28Å; F273-M294 WeakPolarHBondContact O-CE 3.19Å; F273-L297 HydrophobicContact CD1-CB 4.24Å; F273-L297 HydrophobicContact CE1-CB 3.78Å; F273-R298 HydrophobicContact CE1-CB 4.23Å; F273-K301 HydrophobicContact CE2-CD 3.54Å; F273-K301 HydrophobicContact CZ-CB 4.13Å; F273-K301 HydrophobicContact CZ-CD 3.54Å; F273-K301 HydrophobicContact CZ-CG 4.47Å
274	M	98.9	Very high	98.8	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.9	171.2	-61.6	-69.4	-74.1	0	0	112	L185 L205 I206 L264 E267 F268 N271	L185-M274 HydrophobicContact CD1-CG 4.07Å; L185-M274 HydrophobicContact CD1-SD 4.01Å; L205-M274 HydrophobicContact CB-SD 3.67Å; L205-M274 HydrophobicContact CD1-SD 4.25Å; L205-M274 HydrophobicContact CD2-SD 4.17Å; L205-M274 HydrophobicContact CG-SD 4.23Å; I206-M274 WeakPolarHBondContact CD1-O 3.15Å; L264-M274 HydrophobicContact CD2-CE 4.34Å; E267-M274 HydrophobicContact CB-CG 4.06Å; F268-M274 HydrophobicContact CD1-CB 4.06Å; F268-M274 HydrophobicContact CD1-CE 4.46Å; F268-M274 WeakPolarHBondContact CD1-O 3.25Å; F268-M274 HydrophobicContact CD2-CE 4.37Å; F268-M274 HydrophobicContact CE1-CB 4.26Å; F268-M274 HydrophobicContact CE1-CE 3.94Å; F268-M274 WeakPolarHBondContact CE1-O 3.28Å; F268-M274 HydrophobicContact CE2-CE 3.84Å; F268-M274 HydrophobicContact CZ-CE 3.61Å; N271-M274 HydrophobicContact CB-CB 4.01Å; N271-M274 HydrophobicContact CB-CG 3.87Å; N271-M274 PolarHBondContact O-N 3.09Å
275	R	98.9	Very high	98.7	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.117	21%	0.205	C	C	.	.			trans	-107.1	18.7	-174.7	-66.7	171	60.2	65.9	6	113.5	E236 F268 N271 P272 F273 K277 E278 V281	E236-R275 IonicContact OE1-CZ 2.79Å; E236-R275 IonicContact OE1-NE 2.9Å; E236-R275 IonicContact OE1-NH2 3.6Å; E236-R275 PolarHBondContact OE1-NH2 2.83Å; E236-R275 IonicContact OE2-CZ 3.43Å; E236-R275 IonicContact OE2-NE 3.63Å; E236-R275 PolarHBondContact OE2-NE 3.07Å; E236-R275 IonicContact OE2-NH2 2.78Å; E236-R275 PolarHBondContact OE2-NH2 3.02Å; F268-R275 WeakPolarHBondContact O-CD 3.24Å; F268-R275 WeakPolarHBondContact O-CG 3.31Å; F268-R275 PolarHBondContact O-NH1 3.44Å; N271-R275 WeakPolarHBondContact O-CB 3.25Å; N271-R275 WeakPolarHBondContact O-CD 3.28Å; N271-R275 VanDerWaalsContact O-CG 3.25Å; N271-R275 WeakPolarHBondContact O-CG 3.34Å; N271-R275 PolarHBondContact O-N 3.21Å; N271-R275 VanDerWaalsContact O-N 3.09Å; P272-R275 CarbonylContact O-C 3.55Å; P272-R275 PolarHBondContact O-N 2.63Å; F273-R275 VanDerWaalsContact C-N 3.3Å; R275-K277 PolarHBondContact O-N 3.48Å; R275-E278 HydrophobicContact CB-CB 4.36Å; R275-E278 HydrophobicContact CB-CG 3.86Å; R275-E278 HydrophobicContact CG-CG 4.29Å; R275-E278 VanDerWaalsContact O-CB 3.25Å; R275-E278 WeakPolarHBondContact O-CB 3.34Å; R275-E278 PolarHBondContact O-N 3.4Å; R275-V281 HydrophobicContact CB-CG2 3.88Å
276	V	98.8	Very high	98.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.1	-178.9	-67.8	0	0	0	0	115.3	Y202 I206 P272 F273 Q282 P290 T293 M294 L297	Y202-V276 HydrophobicContact CD2-CG2 3.9Å; Y202-V276 HydrophobicContact CE2-CG2 4.04Å; I206-V276 HydrophobicContact CD1-CG2 4.35Å; I206-V276 HydrophobicContact CG1-CG2 4.29Å; P272-V276 PolarHBondContact O-N 2.87Å; F273-V276 WeakPolarHBondContact O-CG1 3.3Å; V276-Q282 PolarHBondContact O-NE2 3.2Å; V276-P290 HydrophobicContact CB-CB 4.35Å; V276-P290 HydrophobicContact CG2-CB 4.03Å; V276-T293 HydrophobicContact CB-CG2 4.02Å; V276-T293 HydrophobicContact CG1-CG2 4.07Å; V276-M294 HydrophobicContact CG1-CB 4.15Å; V276-M294 HydrophobicContact CG1-CE 3.98Å; V276-M294 HydrophobicContact CG1-SD 4.41Å; V276-M294 HydrophobicContact CG2-CE 4.28Å; V276-L297 HydrophobicContact CG1-CD1 3.85Å
277	K	98.6	Very high	98.7	Very high	116 Å²	116	47.5 Å²	47.5	50%	0.504	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-13	172.1	-66.2	179.8	177.6	175.9	0	113.3	Y202 R275 P290	Y202-K277 WeakPolarHBondContact OH-CE 3.27Å; Y202-K277 PolarHBondContact OH-NZ 3.05Å; R275-K277 PolarHBondContact O-N 3.48Å; K277-P290 HydrophobicContact CG-CB 4.12Å; K277-P290 HydrophobicContact CG-CG 3.84Å
278	E	98.7	Very high	98.7	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	26%	0.263	S	S	.	.	S	Bend	trans	-75.4	132.7	-179	-63.9	-62.1	143.3	0	0	110	R275 S280 V281 Q282	R275-E278 HydrophobicContact CB-CB 4.36Å; R275-E278 HydrophobicContact CB-CG 3.86Å; R275-E278 HydrophobicContact CG-CG 4.29Å; R275-E278 VanDerWaalsContact O-CB 3.25Å; R275-E278 WeakPolarHBondContact O-CB 3.34Å; R275-E278 PolarHBondContact O-N 3.4Å; E278-S280 PolarHBondContact O-N 3.11Å; E278-V281 HydrophobicContact CB-CB 4.46Å; E278-V281 HydrophobicContact CB-CG2 4.16Å; E278-V281 PolarHBondContact O-N 3.43Å; E278-V281 VanDerWaalsContact O-N 3.11Å; E278-Q282 WeakPolarHBondContact O-CG 3.08Å; E278-Q282 PolarHBondContact O-N 3.09Å
279	K	98.6	Very high	98.7	Very high	135 Å²	135	53 Å²	53	59%	0.587	26%	0.264	S	S	*	.	H	α-helix	trans	-58.6	-37.6	-178.2	177.8	161.8	173.9	42.5	0	112.4	V281 Q282 D283	K279-V281 VanDerWaalsContact C-N 3.33Å; K279-V281 PolarHBondContact O-N 3.34Å; K279-Q282 PolarHBondContact O-N 3.01Å; K279-D283 WeakPolarHBondContact CE-OD2 3.14Å; K279-D283 WeakPolarHBondContact CG-OD2 3.39Å; K279-D283 IonicContact NZ-OD1 2.72Å; K279-D283 PolarHBondContact NZ-OD1 2.99Å; K279-D283 IonicContact NZ-OD2 2.8Å; K279-D283 PolarHBondContact NZ-OD2 3.2Å; K279-D283 VanDerWaalsContact O-CB 3.31Å; K279-D283 WeakPolarHBondContact O-CB 3.36Å; K279-D283 PolarHBondContact O-N 3.32Å
280	S	98.6	Very high	98.7	Very high	55 Å²	55	51.7 Å²	51.7	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-43.1	176.6	46.1	0	0	0	0	112.7	E236 E278 H284	E236-S280 WeakPolarHBondContact OE1-CB 3.19Å; E236-S280 PolarHBondContact OE1-OG 3.18Å; E278-S280 PolarHBondContact O-N 3.11Å; S280-H284 PolarHBondContact O-N 2.84Å
281	V	98.8	Very high	98.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-42.2	179	177.8	0	0	0	0	110.9	V235 E236 R275 E278 K279 H284 V285 T293 L297	V235-V281 HydrophobicContact CG1-CG1 4.16Å; V235-V281 HydrophobicContact CG1-CG2 4.4Å; E236-V281 HydrophobicContact CG-CG2 3.82Å; R275-V281 HydrophobicContact CB-CG2 3.88Å; E278-V281 HydrophobicContact CB-CB 4.46Å; E278-V281 HydrophobicContact CB-CG2 4.16Å; E278-V281 PolarHBondContact O-N 3.43Å; E278-V281 VanDerWaalsContact O-N 3.11Å; K279-V281 VanDerWaalsContact C-N 3.33Å; K279-V281 PolarHBondContact O-N 3.34Å; V281-H284 WeakPolarHBondContact O-CB 3.47Å; V281-H284 PolarHBondContact O-N 2.91Å; V281-V285 PolarHBondContact O-N 3.25Å; V281-T293 HydrophobicContact CG1-CG2 3.88Å; V281-L297 HydrophobicContact CG1-CD1 3.6Å; V281-L297 HydrophobicContact CG1-CD2 4.28Å; V281-L297 HydrophobicContact CG1-CG 4.38Å
282	Q	98.8	Very high	98.7	Very high	28 Å²	28	57 Å²	57	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-44.9	176.1	-75.9	-167.4	-11.7	0	0	112.3	V276 E278 K279 H284 V285 K286 Q287 T288 T293	V276-Q282 PolarHBondContact O-NE2 3.2Å; E278-Q282 WeakPolarHBondContact O-CG 3.08Å; E278-Q282 PolarHBondContact O-N 3.09Å; K279-Q282 PolarHBondContact O-N 3.01Å; Q282-H284 VanDerWaalsContact C-N 3.34Å; Q282-H284 PolarHBondContact O-N 3.28Å; Q282-V285 PolarHBondContact O-N 2.93Å; Q282-K286 WeakPolarHBondContact O-CA 3.48Å; Q282-K286 PolarHBondContact O-N 2.99Å; Q282-Q287 CarbonylContact C-O 3.51Å; Q282-Q287 VanDerWaalsContact CB-O 3.3Å; Q282-Q287 WeakPolarHBondContact CB-O 3.45Å; Q282-Q287 PolarHBondContact O-N 3.03Å; Q282-T288 PolarHBondContact NE2-O 2.88Å; Q282-T288 PolarHBondContact OE1-O 3.39Å; Q282-T293 HydrophobicContact CG-CG2 4.21Å
283	D	98.6	Very high	98.7	Very high	85 Å²	85	57 Å²	57	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-37.4	178.5	-72.3	-18.4	0	0	0	111.9	K279 V285 K286	K279-D283 WeakPolarHBondContact CE-OD2 3.14Å; K279-D283 WeakPolarHBondContact CG-OD2 3.39Å; K279-D283 IonicContact NZ-OD1 2.72Å; K279-D283 PolarHBondContact NZ-OD1 2.99Å; K279-D283 IonicContact NZ-OD2 2.8Å; K279-D283 PolarHBondContact NZ-OD2 3.2Å; K279-D283 VanDerWaalsContact O-CB 3.31Å; K279-D283 WeakPolarHBondContact O-CB 3.36Å; K279-D283 PolarHBondContact O-N 3.32Å; D283-V285 PolarHBondContact O-N 2.77Å; D283-K286 PolarHBondContact O-N 2.67Å
284	H	98.7	Very high	98.7	Very high	57 Å²	57	57 Å²	57	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-47.8	177.1	175.3	74	0	0	0	112.2	H234 V235 S280 V281 Q282 E300	H234-H284 AromaticContact CD2-CE1 3.77Å; H234-H284 AromaticContact CD2-NE2 3.87Å; H234-H284 AromaticContact NE2-CE1 3.51Å; H234-H284 AromaticContact NE2-NE2 3.73Å; V235-H284 HydrophobicContact CG1-CB 4.12Å; S280-H284 PolarHBondContact O-N 2.84Å; V281-H284 WeakPolarHBondContact O-CB 3.47Å; V281-H284 PolarHBondContact O-N 2.91Å; Q282-H284 VanDerWaalsContact C-N 3.34Å; Q282-H284 PolarHBondContact O-N 3.28Å; H284-E300 IonicContact CD2-OE2 2.66Å; H284-E300 PolarHBondContact CD2-OE2 3.35Å; H284-E300 IonicContact CE1-OE1 3.45Å; H284-E300 IonicContact NE2-OE1 3.89Å; H284-E300 PolarHBondContact NE2-OE1 3.44Å; H284-E300 IonicContact NE2-OE2 3.89Å; H284-E300 PolarHBondContact NE2-OE2 2.94Å
285	V	98.5	Very high	98.7	Very high	20 Å²	20	60.9 Å²	60.9	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-92.6	4	179.2	-62	0	0	0	0	114	V281 Q282 D283 Q287 T293 L297	V281-V285 PolarHBondContact O-N 3.25Å; Q282-V285 PolarHBondContact O-N 2.93Å; D283-V285 PolarHBondContact O-N 2.77Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 HydrophobicContact CB-CG 4.45Å; V285-Q287 HydrophobicContact CG2-CB 4.01Å; V285-Q287 HydrophobicContact CG2-CG 3.84Å; V285-Q287 PolarHBondContact O-N 2.72Å; V285-T293 HydrophobicContact CG2-CG2 3.81Å; V285-L297 HydrophobicContact CG1-CD2 3.65Å; V285-L297 HydrophobicContact CG1-CG 3.95Å
286	K	98.4	Very high	98.7	Very high	184 Å²	184	60.9 Å²	60.9	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	44.1	-178.5	-52.7	-179.6	-176.8	179.7	0	113.2	Q282 D283	Q282-K286 WeakPolarHBondContact O-CA 3.48Å; Q282-K286 PolarHBondContact O-N 2.99Å; D283-K286 PolarHBondContact O-N 2.67Å
287	Q	98.4	Very high	98.7	Very high	62 Å²	62	60.9 Å²	60.9	29%	0.29	30%	0.301	S	S	.	.			trans	-118.5	165	175.3	-62.2	-59.4	-22.2	0	0	110.1	Q282 V285 E292 T293	Q282-Q287 CarbonylContact C-O 3.51Å; Q282-Q287 VanDerWaalsContact CB-O 3.3Å; Q282-Q287 WeakPolarHBondContact CB-O 3.45Å; Q282-Q287 PolarHBondContact O-N 3.03Å; V285-Q287 VanDerWaalsContact C-N 3.32Å; V285-Q287 HydrophobicContact CB-CG 4.45Å; V285-Q287 HydrophobicContact CG2-CB 4.01Å; V285-Q287 HydrophobicContact CG2-CG 3.84Å; V285-Q287 PolarHBondContact O-N 2.72Å; Q287-E292 HydrophobicContact CB-CB 4.37Å; Q287-E292 HydrophobicContact CG-CB 4.13Å; Q287-T293 WeakPolarHBondContact CB-OG1 3.48Å
288	T	97.9	Very high	98.7	Very high	124 Å²	124	56 Å²	56	76%	0.761	28%	0.28	S	S	*	.	S	Bend	trans	-127.3	-17.4	173.2	57.2	0	0	0	0	112.5	Q282	Q282-T288 PolarHBondContact NE2-O 2.88Å; Q282-T288 PolarHBondContact OE1-O 3.39Å
289	D	98.6	Very high	98.7	Very high	68 Å²	68	58.9 Å²	58.9	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-91.3	132.5	174.4	174	-95.5	0	0	0	110.3	I291 E292 T293	D289-I291 VanDerWaalsContact C-N 3.29Å; D289-I291 PolarHBondContact O-N 2.66Å; D289-I291 VanDerWaalsContact OD1-CA 3.3Å; D289-I291 WeakPolarHBondContact OD1-CA 3.34Å; D289-I291 VanDerWaalsContact OD1-CB 3.24Å; D289-I291 WeakPolarHBondContact OD1-CB 3.4Å; D289-I291 PolarHBondContact OD1-N 3.42Å; D289-E292 HydrophobicContact CB-CB 4.21Å; D289-E292 HydrophobicContact CB-CG 4.18Å; D289-E292 PolarHBondContact O-N 2.89Å; D289-E292 PolarHBondContact OD1-N 2.88Å; D289-T293 WeakPolarHBondContact O-CB 3.4Å; D289-T293 PolarHBondContact O-N 2.82Å; D289-T293 PolarHBondContact O-OG1 2.83Å
290	P	98.7	Very high	98.7	Very high	24 Å²	24	55.1 Å²	55.1	16%	0.156	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-29.7	-179.6	-26.2	35.7	0	0	0	115.1	Y202 V276 K277 M294	Y202-P290 HydrophobicContact CD2-CB 4.03Å; Y202-P290 HydrophobicContact CE2-CB 3.5Å; Y202-P290 VanDerWaalsContact CE2-CB 3.5Å; Y202-P290 HydrophobicContact CE2-CG 4.44Å; V276-P290 HydrophobicContact CB-CB 4.35Å; V276-P290 HydrophobicContact CG2-CB 4.03Å; K277-P290 HydrophobicContact CG-CB 4.12Å; K277-P290 HydrophobicContact CG-CG 3.84Å; P290-M294 WeakPolarHBondContact O-CB 3.25Å; P290-M294 PolarHBondContact O-N 3.3Å
291	I	98.8	Very high	98.7	Very high	41 Å²	41	54.1 Å²	54.1	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-77.2	-43	179.7	-60.2	176.8	0	0	0	109.8	A198 E199 Y202 D289 T293 M294 R295	A198-I291 HydrophobicContact CB-CG2 4.19Å; E199-I291 HydrophobicContact CB-CG2 4.32Å; E199-I291 HydrophobicContact CG-CD1 4.23Å; E199-I291 HydrophobicContact CG-CG2 3.74Å; E199-I291 VanDerWaalsContact OE1-CG2 3.31Å; E199-I291 WeakPolarHBondContact OE1-CG2 3.4Å; Y202-I291 HydrophobicContact CD1-CD1 4.33Å; Y202-I291 HydrophobicContact CD1-CG1 4.03Å; Y202-I291 HydrophobicContact CD2-CG1 4.28Å; Y202-I291 HydrophobicContact CG-CG1 3.88Å; D289-I291 VanDerWaalsContact C-N 3.29Å; D289-I291 PolarHBondContact O-N 2.66Å; D289-I291 VanDerWaalsContact OD1-CA 3.3Å; D289-I291 WeakPolarHBondContact OD1-CA 3.34Å; D289-I291 VanDerWaalsContact OD1-CB 3.24Å; D289-I291 WeakPolarHBondContact OD1-CB 3.4Å; D289-I291 PolarHBondContact OD1-N 3.42Å; I291-T293 VanDerWaalsContact C-N 3.26Å; I291-T293 PolarHBondContact O-N 3.32Å; I291-M294 WeakPolarHBondContact O-CB 3.33Å; I291-M294 PolarHBondContact O-N 2.94Å; I291-R295 PolarHBondContact O-N 3.46Å
292	E	98.8	Very high	98.6	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-35.4	171.3	-66.7	-52.9	138.9	0	0	112.2	Q287 D289 R295 S296	Q287-E292 HydrophobicContact CB-CB 4.37Å; Q287-E292 HydrophobicContact CG-CB 4.13Å; D289-E292 HydrophobicContact CB-CB 4.21Å; D289-E292 HydrophobicContact CB-CG 4.18Å; D289-E292 PolarHBondContact O-N 2.89Å; D289-E292 PolarHBondContact OD1-N 2.88Å; E292-R295 PolarHBondContact O-N 3.26Å; E292-R295 IonicContact OE1-CZ 2.71Å; E292-R295 IonicContact OE1-NH1 3.29Å; E292-R295 PolarHBondContact OE1-NH1 3.44Å; E292-R295 IonicContact OE2-CZ 3.94Å; E292-R295 IonicContact OE2-NH1 3.53Å; E292-R295 PolarHBondContact OE2-NH1 3.4Å; E292-S296 WeakPolarHBondContact O-CB 3.42Å; E292-S296 PolarHBondContact O-N 3.05Å; E292-S296 PolarHBondContact O-OG 3.43Å
293	T	98.9	Very high	98.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-49.1	173	-57.2	0	0	0	0	110.6	V276 V281 Q282 V285 Q287 D289 I291 R295 S296 L297	V276-T293 HydrophobicContact CB-CG2 4.02Å; V276-T293 HydrophobicContact CG1-CG2 4.07Å; V281-T293 HydrophobicContact CG1-CG2 3.88Å; Q282-T293 HydrophobicContact CG-CG2 4.21Å; V285-T293 HydrophobicContact CG2-CG2 3.81Å; Q287-T293 WeakPolarHBondContact CB-OG1 3.48Å; D289-T293 WeakPolarHBondContact O-CB 3.4Å; D289-T293 PolarHBondContact O-N 2.82Å; D289-T293 PolarHBondContact O-OG1 2.83Å; I291-T293 VanDerWaalsContact C-N 3.26Å; I291-T293 PolarHBondContact O-N 3.32Å; T293-R295 PolarHBondContact O-N 3.47Å; T293-S296 PolarHBondContact O-N 3.13Å; T293-L297 HydrophobicContact CG2-CD1 4Å; T293-L297 HydrophobicContact CG2-CG 4.4Å; T293-L297 WeakPolarHBondContact O-CB 3.44Å; T293-L297 VanDerWaalsContact O-CG 3.31Å; T293-L297 WeakPolarHBondContact O-CG 3.47Å; T293-L297 PolarHBondContact O-N 2.78Å
294	M	98.9	Very high	98.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.1	-48.2	174.6	-179.7	68.9	72.9	0	0	111.8	F193 A198 M201 L205 F273 V276 P290 I291 S296 R298	F193-M294 HydrophobicContact CE2-CG 4.21Å; F193-M294 HydrophobicContact CZ-CG 3.96Å; F193-M294 HydrophobicContact CZ-SD 3.97Å; A198-M294 HydrophobicContact CB-CB 4.29Å; A198-M294 HydrophobicContact CB-CG 4.07Å; M201-M294 HydrophobicContact CB-CG 4.32Å; M201-M294 HydrophobicContact CB-SD 4.25Å; M201-M294 HydrophobicContact CG-CE 4.15Å; M201-M294 HydrophobicContact CG-SD 3.84Å; L205-M294 HydrophobicContact CD1-CE 4.02Å; F273-M294 HydrophobicContact CB-CE 4.29Å; F273-M294 HydrophobicContact CB-SD 4.1Å; F273-M294 HydrophobicContact CD1-SD 3.64Å; F273-M294 HydrophobicContact CG-SD 4.33Å; F273-M294 VanDerWaalsContact O-CE 3.28Å; F273-M294 WeakPolarHBondContact O-CE 3.19Å; V276-M294 HydrophobicContact CG1-CB 4.15Å; V276-M294 HydrophobicContact CG1-CE 3.98Å; V276-M294 HydrophobicContact CG1-SD 4.41Å; V276-M294 HydrophobicContact CG2-CE 4.28Å; P290-M294 WeakPolarHBondContact O-CB 3.25Å; P290-M294 PolarHBondContact O-N 3.3Å; I291-M294 WeakPolarHBondContact O-CB 3.33Å; I291-M294 PolarHBondContact O-N 2.94Å; M294-S296 PolarHBondContact O-N 2.97Å; M294-R298 WeakPolarHBondContact O-CB 3.39Å; M294-R298 PolarHBondContact O-N 2.58Å
295	R	98.9	Very high	98.3	Very high	86 Å²	86	68.3 Å²	68.3	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-47.7	178.5	-176.8	-178.9	-70.2	95.1	0.6	111.7	A198 E199 I291 E292 T293 R298 K299	A198-R295 HydrophobicContact CB-CB 3.64Å; A198-R295 HydrophobicContact CB-CG 4.41Å; E199-R295 IonicContact OE1-CZ 3.93Å; E199-R295 IonicContact OE1-NH2 2.97Å; E199-R295 PolarHBondContact OE1-NH2 3.21Å; E199-R295 IonicContact OE2-NH2 3.24Å; E199-R295 PolarHBondContact OE2-NH2 3.23Å; I291-R295 PolarHBondContact O-N 3.46Å; E292-R295 PolarHBondContact O-N 3.26Å; E292-R295 IonicContact OE1-CZ 2.71Å; E292-R295 IonicContact OE1-NH1 3.29Å; E292-R295 PolarHBondContact OE1-NH1 3.44Å; E292-R295 IonicContact OE2-CZ 3.94Å; E292-R295 IonicContact OE2-NH1 3.53Å; E292-R295 PolarHBondContact OE2-NH1 3.4Å; T293-R295 PolarHBondContact O-N 3.47Å; R295-R298 PolarHBondContact O-N 2.79Å; R295-K299 WeakPolarHBondContact O-CB 3.35Å; R295-K299 PolarHBondContact O-N 3.39Å; R295-K299 VanDerWaalsContact O-N 3.1Å
296	S	98.8	Very high	97.8	Very high	31 Å²	31	71 Å²	71	22%	0.217	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-46.6	-177.1	-59.6	0	0	0	0	111.5	E292 T293 M294 R298 K299 E300	E292-S296 WeakPolarHBondContact O-CB 3.42Å; E292-S296 PolarHBondContact O-N 3.05Å; E292-S296 PolarHBondContact O-OG 3.43Å; T293-S296 PolarHBondContact O-N 3.13Å; M294-S296 PolarHBondContact O-N 2.97Å; S296-R298 VanDerWaalsContact C-N 3.35Å; S296-R298 PolarHBondContact O-N 3.47Å; S296-K299 PolarHBondContact O-N 3.01Å; S296-E300 WeakPolarHBondContact O-CB 3.47Å; S296-E300 PolarHBondContact O-N 3.49Å
297	L	98.8	Very high	97.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-43.2	175.9	-73.5	171.4	0	0	0	112.3	F231 V235 P272 F273 V276 V281 V285 T293 E300 K301	F231-L297 HydrophobicContact CE1-CD2 4.45Å; F231-L297 HydrophobicContact CZ-CD2 4.35Å; V235-L297 HydrophobicContact CG1-CD2 3.81Å; V235-L297 HydrophobicContact CG2-CD2 3.78Å; P272-L297 HydrophobicContact CB-CD1 4.31Å; F273-L297 HydrophobicContact CD1-CB 4.24Å; F273-L297 HydrophobicContact CE1-CB 3.78Å; V276-L297 HydrophobicContact CG1-CD1 3.85Å; V281-L297 HydrophobicContact CG1-CD1 3.6Å; V281-L297 HydrophobicContact CG1-CD2 4.28Å; V281-L297 HydrophobicContact CG1-CG 4.38Å; V285-L297 HydrophobicContact CG1-CD2 3.65Å; V285-L297 HydrophobicContact CG1-CG 3.95Å; T293-L297 HydrophobicContact CG2-CD1 4Å; T293-L297 HydrophobicContact CG2-CG 4.4Å; T293-L297 WeakPolarHBondContact O-CB 3.44Å; T293-L297 VanDerWaalsContact O-CG 3.31Å; T293-L297 WeakPolarHBondContact O-CG 3.47Å; T293-L297 PolarHBondContact O-N 2.78Å; L297-E300 PolarHBondContact O-N 3.21Å; L297-K301 WeakPolarHBondContact O-CB 2.97Å; L297-K301 PolarHBondContact O-N 3.01Å
298	R	98.8	Very high	96.4	Very high	13 Å²	13	71.8 Å²	71.8	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-48.1	-179.4	-176	67.7	-89.9	175.1	-11.7	110.7	C190 G191 F193 F273 M294 R295 S296 E300 K301 D302	C190-R298 PolarHBondContact O-NH1 3.18Å; C190-R298 PolarHBondContact SG-NH1 3.3Å; G191-R298 PolarHBondContact O-NH1 3.45Å; F193-R298 HydrophobicContact CD1-CG 3.94Å; F193-R298 HydrophobicContact CD2-CB 4.27Å; F193-R298 HydrophobicContact CD2-CG 3.74Å; F193-R298 HydrophobicContact CE1-CB 4.3Å; F193-R298 HydrophobicContact CE1-CG 3.71Å; F193-R298 HydrophobicContact CE2-CB 3.62Å; F193-R298 HydrophobicContact CE2-CG 3.53Å; F193-R298 HydrophobicContact CG-CG 3.93Å; F193-R298 HydrophobicContact CZ-CB 3.63Å; F193-R298 HydrophobicContact CZ-CG 3.5Å; F273-R298 HydrophobicContact CE1-CB 4.23Å; M294-R298 WeakPolarHBondContact O-CB 3.39Å; M294-R298 PolarHBondContact O-N 2.58Å; R295-R298 PolarHBondContact O-N 2.79Å; S296-R298 VanDerWaalsContact C-N 3.35Å; S296-R298 PolarHBondContact O-N 3.47Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 PolarHBondContact O-N 3.43Å; R298-K301 PolarHBondContact O-N 2.93Å; R298-D302 IonicContact CZ-OD1 3.65Å; R298-D302 VanDerWaalsContact CZ-OD1 3.26Å; R298-D302 IonicContact NE-OD1 3.06Å; R298-D302 PolarHBondContact NE-OD1 2.93Å; R298-D302 IonicContact NE-OD2 2.62Å; R298-D302 IonicContact NH2-OD1 3.39Å; R298-D302 PolarHBondContact NH2-OD1 3.42Å; R298-D302 WeakPolarHBondContact O-CB 3.37Å; R298-D302 PolarHBondContact O-N 2.85Å
299	K	98.7	Very high	95	Very high	151 Å²	151	73.8 Å²	73.8	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-59.8	-41.4	176.3	-176.3	179.4	179.4	-178.8	0	111.6	R295 S296 N303	R295-K299 WeakPolarHBondContact O-CB 3.35Å; R295-K299 PolarHBondContact O-N 3.39Å; R295-K299 VanDerWaalsContact O-N 3.1Å; S296-K299 PolarHBondContact O-N 3.01Å; K299-N303 PolarHBondContact O-N 2.97Å; K299-N303 PolarHBondContact O-ND2 2.7Å
300	E	98.7	Very high	94.8	Very high	57 Å²	57	74.1 Å²	74.1	27%	0.266	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-48.7	176.9	-167.9	-178.5	-176.7	0	0	111.4	F231 H234 H284 S296 L297 R298 D302 N303 F304	F231-E300 HydrophobicContact CE2-CB 4.3Å; F231-E300 HydrophobicContact CE2-CG 4.05Å; F231-E300 HydrophobicContact CZ-CB 4.27Å; F231-E300 HydrophobicContact CZ-CG 4.42Å; H234-E300 IonicContact CD2-OE1 2.72Å; H234-E300 PolarHBondContact CD2-OE1 3.37Å; H234-E300 IonicContact CE1-OE1 3.44Å; H234-E300 IonicContact NE2-OE1 2.9Å; H234-E300 PolarHBondContact NE2-OE1 3.26Å; H284-E300 IonicContact CD2-OE2 2.66Å; H284-E300 PolarHBondContact CD2-OE2 3.35Å; H284-E300 IonicContact CE1-OE1 3.45Å; H284-E300 IonicContact NE2-OE1 3.89Å; H284-E300 PolarHBondContact NE2-OE1 3.44Å; H284-E300 IonicContact NE2-OE2 3.89Å; H284-E300 PolarHBondContact NE2-OE2 2.94Å; S296-E300 WeakPolarHBondContact O-CB 3.47Å; S296-E300 PolarHBondContact O-N 3.49Å; L297-E300 PolarHBondContact O-N 3.21Å; R298-E300 VanDerWaalsContact C-N 3.31Å; R298-E300 PolarHBondContact O-N 3.43Å; E300-D302 VanDerWaalsContact C-N 3.28Å; E300-D302 PolarHBondContact O-N 2.96Å; E300-N303 CarbonylContact O-C 3.53Å; E300-N303 PolarHBondContact O-N 2.93Å; E300-N303 VanDerWaalsContact O-N 3.08Å; E300-F304 PolarHBondContact O-N 3.22Å
301	K	98.6	Very high	94.6	Very high	34 Å²	34	76.7 Å²	76.7	15%	0.148	36%	0.358	C	S	.	.	H	α-helix	trans	-61.3	-35.2	178.6	-167.9	171.3	-169.1	-69.7	0	112.7	N228 F231 F273 L297 R298 N303 F304	N228-K301 VanDerWaalsContact OD1-CE 3.24Å; N228-K301 WeakPolarHBondContact OD1-CE 3.45Å; N228-K301 PolarHBondContact OD1-NZ 3.11Å; F231-K301 HydrophobicContact CB-CD 4.45Å; F231-K301 HydrophobicContact CB-CG 4.38Å; F231-K301 HydrophobicContact CD1-CB 3.98Å; F231-K301 HydrophobicContact CD1-CD 3.58Å; F231-K301 HydrophobicContact CD1-CG 3.79Å; F231-K301 HydrophobicContact CD2-CB 4.1Å; F231-K301 HydrophobicContact CD2-CG 4.08Å; F231-K301 HydrophobicContact CE1-CB 3.7Å; F231-K301 HydrophobicContact CE1-CD 3.98Å; F231-K301 HydrophobicContact CE1-CG 4.05Å; F231-K301 HydrophobicContact CE2-CB 3.83Å; F231-K301 HydrophobicContact CE2-CG 4.33Å; F231-K301 HydrophobicContact CG-CB 4.17Å; F231-K301 HydrophobicContact CG-CD 4Å; F231-K301 HydrophobicContact CG-CG 3.79Å; F231-K301 HydrophobicContact CZ-CB 3.62Å; F231-K301 HydrophobicContact CZ-CG 4.32Å; F273-K301 HydrophobicContact CE2-CD 3.54Å; F273-K301 HydrophobicContact CZ-CB 4.13Å; F273-K301 HydrophobicContact CZ-CD 3.54Å; F273-K301 HydrophobicContact CZ-CG 4.47Å; L297-K301 WeakPolarHBondContact O-CB 2.97Å; L297-K301 PolarHBondContact O-N 3.01Å; R298-K301 PolarHBondContact O-N 2.93Å; K301-N303 PolarHBondContact O-N 3.43Å; K301-F304 WeakPolarHBondContact O-CB 3.46Å; K301-F304 PolarHBondContact O-N 3.04Å
302	D	97.6	Very high	94.4	Very high	67 Å²	67	78.7 Å²	78.7	36%	0.358	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-25.7	178.1	-69.3	-14.9	0	0	0	113	R298 E300	R298-D302 IonicContact CZ-OD1 3.65Å; R298-D302 VanDerWaalsContact CZ-OD1 3.26Å; R298-D302 IonicContact NE-OD1 3.06Å; R298-D302 PolarHBondContact NE-OD1 2.93Å; R298-D302 IonicContact NE-OD2 2.62Å; R298-D302 IonicContact NH2-OD1 3.39Å; R298-D302 PolarHBondContact NH2-OD1 3.42Å; R298-D302 WeakPolarHBondContact O-CB 3.37Å; R298-D302 PolarHBondContact O-N 2.85Å; E300-D302 VanDerWaalsContact C-N 3.28Å; E300-D302 PolarHBondContact O-N 2.96Å
303	N	97.5	Very high	94.1	Very high	125 Å²	125	79.1 Å²	79.1	67%	0.668	37%	0.368	S	S	*	.	H	α-helix	trans	-104.5	0.4	177.6	-64.9	-74.4	0	0	0	112.9	K299 E300 K301 R305	K299-N303 PolarHBondContact O-N 2.97Å; K299-N303 PolarHBondContact O-ND2 2.7Å; E300-N303 CarbonylContact O-C 3.53Å; E300-N303 PolarHBondContact O-N 2.93Å; E300-N303 VanDerWaalsContact O-N 3.08Å; K301-N303 PolarHBondContact O-N 3.43Å; N303-R305 PolarHBondContact O-N 3.33Å
304	F	97	Very high	93.8	Very high	44 Å²	44	84.1 Å²	84.1	19%	0.193	39%	0.391	C	S	.	.			trans	-74.1	119.5	-175.8	-177.5	-111.1	0	0	0	111	F231 H234 E300 K301 V306 P307	F231-F304 HydrophobicContact CB-CD1 4.01Å; F231-F304 HydrophobicContact CB-CE1 4.02Å; F231-F304 HydrophobicContact CD2-CB 3.92Å; F231-F304 AromaticContact CD2-CD1 3.85Å; F231-F304 HydrophobicContact CD2-CD1 3.85Å; F231-F304 AromaticContact CD2-CD2 3.99Å; F231-F304 HydrophobicContact CD2-CD2 3.99Å; F231-F304 HydrophobicContact CD2-CE1 4.31Å; F231-F304 HydrophobicContact CD2-CE2 4.45Å; F231-F304 AromaticContact CD2-CG 3.66Å; F231-F304 HydrophobicContact CD2-CG 3.66Å; F231-F304 HydrophobicContact CE2-CB 4.3Å; F231-F304 HydrophobicContact CE2-CG 4.37Å; F231-F304 HydrophobicContact CG-CD1 4.41Å; H234-F304 HydrophobicContact CB-CE2 3.91Å; H234-F304 HydrophobicContact CB-CZ 4.01Å; H234-F304 AromaticContact CG-CE2 3.75Å; E300-F304 PolarHBondContact O-N 3.22Å; K301-F304 WeakPolarHBondContact O-CB 3.46Å; K301-F304 PolarHBondContact O-N 3.04Å; F304-V306 HydrophobicContact CD1-CG2 4.36Å; F304-V306 PolarHBondContact O-N 2.9Å; F304-P307 HydrophobicContact CZ-CG 4.05Å
305	R	94.4	Very high	93.5	Very high	231 Å²	231	89.7 Å²	89.7	87%	0.872	42%	0.417	S	S	*	.			trans	-80	106.5	171.9	-66.6	-176.6	-179.5	-178.5	0.1	108.7	N303 P307	N303-R305 PolarHBondContact O-N 3.33Å; R305-P307 WeakPolarHBondContact O-CD 3.31Å; R305-P307 VanDerWaalsContact O-N 3.12Å
306	V	89.5	Confident	93.1	Very high	77 Å²	77	89.9 Å²	89.9	47%	0.467	42%	0.423	S	S	.	.			trans	-57.1	116.4	-179.6	-176.1	0	0	0	0	109.5	K230 F304	K230-V306 HydrophobicContact CB-CG1 4.49Å; K230-V306 HydrophobicContact CD-CG1 3.66Å; F304-V306 HydrophobicContact CD1-CG2 4.36Å; F304-V306 PolarHBondContact O-N 2.9Å
307	P	86.4	Confident	92.7	Very high	52 Å²	52	94.5 Å²	94.5	34%	0.338	44%	0.439	S	S	.	.			trans	-60.9	146.8	177.3	-23.6	34.4	0	0	0	110.5	K230 F304 R305 E309	K230-P307 PolarHBondContact NZ-O 3.18Å; F304-P307 HydrophobicContact CZ-CG 4.05Å; R305-P307 WeakPolarHBondContact O-CD 3.31Å; R305-P307 VanDerWaalsContact O-N 3.12Å; P307-E309 PolarHBondContact O-N 2.72Å
308	K	80.7	Confident	92.1	Very high	210 Å²	210	102.3 Å²	102.3	91%	0.913	48%	0.476	S	S	*	.			trans	-62.4	-36.8	174.7	-70.5	-173.8	177.6	-177.8	0	111.1	K230	K230-K308 PolarHBondContact NZ-O 2.8Å
309	E	67.9	Low	91.5	Very high	167 Å²	167	110.5 Å²	110.5	78%	0.78	52%	0.515	S	S	*	.			trans	-87.9	0	-178.9	-62.1	-179.1	-171.2	0	0	113.9	K230 R233 K250 P307	K230-E309 WeakPolarHBondContact CE-OXT 3.42Å; K230-E309 PolarHBondContact NZ-OXT 3.25Å; R233-E309 PolarHBondContact NH2-O 2.84Å; K250-E309 WeakPolarHBondContact CE-OXT 3.3Å; K250-E309 PolarHBondContact NZ-OXT 3.47Å; P307-E309 PolarHBondContact O-N 2.72Å

Retrieved 309 of 309 residues in 113.3 ms (Link to these results)

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