A0A087Y1H9_POEFO Loading...

Peptide deformylase

Removes the formyl group from the N-terminal Met of newly synthesized proteins.

AlphaFold DB , UniProt , Accession A0A087Y1H9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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	36.7	Very low	29.8	Very low	248 Å²	248	134.1 Å²	134.1	100%	1.222	78%	0.78	S	S	*	*				0	98.2	0	-74.6	173.8	161.5	0	0	107.1
2	T	27.1	Very low	29.9	Very low	146 Å²	146	140.2 Å²	140.2	90%	0.896	78%	0.78	S	S	*	*			trans	-77.3	118.4	-168.9	41.8	0	0	0	0	110.4
3	S	28.5	Very low	30	Very low	124 Å²	124	143 Å²	143	87%	0.867	78%	0.78	S	S	*	*			trans	-82	117.3	176.8	-162.6	0	0	0	0	109.3
4	S	25.5	Very low	29.7	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	78%	0.779	S	S	*	*			trans	-81.8	115.9	-179.6	-156.2	0	0	0	0	108.8	T6	S4-T6 PolarHBondContact O-N 2.83Å
5	A	30.2	Very low	29.4	Very low	93 Å²	93	143.5 Å²	143.5	77%	0.769	79%	0.792	S	S	*	*			trans	-78.1	101.6	174.2	0	0	0	0	0	109.1	L7	A5-L7 PolarHBondContact O-N 2.83Å; A5-L7 VanDerWaalsContact O-N 3.16Å
6	T	28.8	Very low	29.1	Very low	119 Å²	119	142.4 Å²	142.4	73%	0.73	80%	0.795	S	S	*	*			trans	-73	103.9	174.3	-46.9	0	0	0	0	109.3	S4 L8	S4-T6 PolarHBondContact O-N 2.83Å; T6-L8 PolarHBondContact O-N 3.28Å
7	L	30.4	Very low	29	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	79%	0.789	S	S	*	*			trans	-68.1	112	168.9	-74.9	158.5	0	0	0	108.8	A5 T9	A5-L7 PolarHBondContact O-N 2.83Å; A5-L7 VanDerWaalsContact O-N 3.16Å; L7-T9 PolarHBondContact O-N 2.82Å
8	L	30.6	Very low	29	Very low	113 Å²	113	138 Å²	138	59%	0.592	79%	0.793	S	S	*	*			trans	-90.2	97.8	170	-79.6	157.8	0	0	0	108.5	T6 A137	T6-L8 PolarHBondContact O-N 3.28Å; L8-A137 HydrophobicContact CD1-CB 3.91Å
9	T	32.5	Very low	29	Very low	82 Å²	82	143.5 Å²	143.5	50%	0.503	80%	0.799	S	S	.	*			trans	-72.6	130.9	172.4	44.7	0	0	0	0	110.5	L7	L7-T9 PolarHBondContact O-N 2.82Å
10	W	27.5	Very low	29.1	Very low	182 Å²	182	143.2 Å²	143.2	69%	0.689	80%	0.801	S	S	*	*			trans	-87	115.8	167.1	-79.7	66.9	0	0	0	108.6	A132 V133	W10-A132 HydrophobicContact CH2-CB 4.03Å; W10-A132 HydrophobicContact CZ3-CB 4Å; W10-V133 HydrophobicContact CH2-CG2 4Å; W10-V133 HydrophobicContact CZ2-CG2 3.82Å
11	S	30.4	Very low	29.2	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	81%	0.806	S	S	*	*			trans	-135.7	125.5	170.5	59.1	0	0	0	0	109.7
12	R	30.5	Very low	28.9	Very low	207 Å²	207	136.5 Å²	136.5	78%	0.781	78%	0.782	S	S	*	*			trans	-124.7	128.1	176.8	-132.6	179.1	179	-139.5	1.5	108.9
13	F	30.9	Very low	29.1	Very low	177 Å²	177	134.9 Å²	134.9	78%	0.776	78%	0.777	S	S	*	*			trans	88.5	114.4	159.5	-63.7	-74	0	0	0	121.4
14	G	26	Very low	29.3	Very low	75 Å²	75	133.6 Å²	133.6	77%	0.773	77%	0.768	S	S	*	*				107.2	71	108.1	0	0	0	0	0	117.6
15	F	25.2	Very low	29.6	Very low	219 Å²	219	134.8 Å²	134.8	96%	0.961	78%	0.775	S	S	*	*			trans	-77.7	124.3	167.4	-118.2	-96.5	0	0	0	111
16	C	25.5	Very low	29.7	Very low	125 Å²	125	140.9 Å²	140.9	85%	0.845	78%	0.778	S	S	*	*			trans	-126	144	162	-165.4	0	0	0	0	110
17	A	27.1	Very low	30.1	Very low	84 Å²	84	142 Å²	142	69%	0.694	79%	0.785	S	S	*	*			trans	-58.9	156.8	-159.8	0	0	0	0	0	117.7
18	S	28.6	Very low	30.4	Very low	122 Å²	122	142.6 Å²	142.6	85%	0.853	79%	0.787	S	S	*	*				175.7	165.6	109.4	53.6	0	0	0	0	113.2
19	R	29.5	Very low	30.8	Very low	242 Å²	242	143.6 Å²	143.6	91%	0.913	80%	0.798	S	S	*	*			trans	-82.7	146.9	-154.9	-64.9	163.7	-165.5	-169.6	2.3	113.2
20	T	30	Very low	31	Very low	137 Å²	137	151 Å²	151	84%	0.84	82%	0.817	S	S	*	*			trans	-65.6	132.6	161.8	42.7	0	0	0	0	112.2
21	T	32.3	Very low	31.5	Very low	148 Å²	148	147.9 Å²	147.9	91%	0.908	82%	0.82	S	S	*	*			trans	-139.6	149.9	145.6	47.2	0	0	0	0	110.5
22	S	30.3	Very low	32.1	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	83%	0.825	S	S	*	*			trans	-94.2	160.2	-157	59.1	0	0	0	0	114.9
23	S	31.7	Very low	32.2	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	82%	0.821	S	S	*	*			trans	90.8	146.3	132.2	78.4	0	0	0	0	120.8
24	S	32.7	Very low	33	Very low	96 Å²	96	139.8 Å²	139.8	67%	0.671	82%	0.822	S	S	*	*			trans	97.7	85.5	160	-177.8	0	0	0	0	117.3	R26	S24-R26 PolarHBondContact O-N 2.77Å
25	C	30.8	Very low	33.6	Very low	133 Å²	133	145.6 Å²	145.6	90%	0.899	82%	0.821	S	S	*	*			trans	-54.5	126.3	154.8	-92.1	0	0	0	0	111.6
26	R	32.9	Very low	34.4	Very low	221 Å²	221	140 Å²	140	83%	0.834	81%	0.809	S	S	*	*			trans	-128.1	118.4	154.1	-77.6	-172.1	-177	-151.6	1	108.7	S24 L28	S24-R26 PolarHBondContact O-N 2.77Å; R26-L28 PolarHBondContact O-N 2.9Å
27	V	37	Very low	35	Very low	143 Å²	143	145.1 Å²	145.1	87%	0.867	81%	0.811	S	S	*	*			trans	-68.6	115.2	169.7	175.5	0	0	0	0	107.4
28	L	36.8	Very low	36.1	Very low	158 Å²	158	146 Å²	146	83%	0.827	81%	0.812	S	S	*	*			trans	-119.7	127.3	169.3	-83.9	166.8	0	0	0	109.6	R26	R26-L28 PolarHBondContact O-N 2.9Å
29	V	39.1	Very low	37.2	Very low	135 Å²	135	144.6 Å²	144.6	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.4	136	-178	174.8	0	0	0	0	110.6
30	R	35.4	Very low	37.8	Very low	238 Å²	238	136.6 Å²	136.6	90%	0.898	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.5	136.3	-178.1	-69.1	173.4	159	-171.8	-4.8	112.9
31	P	38.1	Very low	38.9	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-90.3	145.5	140.4	27.9	-15.6	0	0	0	109.5	C33	P31-C33 PolarHBondContact O-N 3.13Å
32	A	42.8	Very low	39.7	Very low	109 Å²	109	137.3 Å²	137.3	90%	0.901	78%	0.783	S	S	*	*			trans	-56.1	106.5	178.3	0	0	0	0	0	110.7	S34	A32-S34 PolarHBondContact O-N 2.98Å
33	C	34.6	Very low	41.1	Very low	102 Å²	102	138.8 Å²	138.8	69%	0.689	79%	0.787	S	S	*	*			trans	-80	105.1	172.6	-169	0	0	0	0	107.4	P31 R35	P31-C33 PolarHBondContact O-N 3.13Å; C33-R35 PolarHBondContact O-N 2.77Å
34	S	46.2	Very low	42.5	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	79%	0.785	S	S	*	*			trans	-61.6	83.2	159.3	46.4	0	0	0	0	107.9	A32 S36	A32-S34 PolarHBondContact O-N 2.98Å; S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 3.24Å
35	R	38.2	Very low	44.8	Very low	197 Å²	197	140.5 Å²	140.5	74%	0.743	77%	0.769	S	S	*	*			trans	-65.1	97.1	169.2	-76.5	-176	174.8	-154.4	-1.8	106.5	C33 W37	C33-R35 PolarHBondContact O-N 2.77Å; R35-W37 VanDerWaalsContact C-N 3.35Å; R35-W37 PolarHBondContact O-N 2.97Å
36	S	41.9	Very low	46.9	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	76%	0.759	S	S	*	*			trans	-60.9	106.9	155.6	62.5	0	0	0	0	105.7	S34 S38	S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 3.24Å; S36-S38 PolarHBondContact O-N 3.14Å
37	W	39.8	Very low	49	Very low	231 Å²	231	138.4 Å²	138.4	88%	0.875	75%	0.753	S	S	*	*			trans	-68.5	84.6	164.3	-73	64.4	0	0	0	106.1	R35 S39	R35-W37 VanDerWaalsContact C-N 3.35Å; R35-W37 PolarHBondContact O-N 2.97Å; W37-S39 PolarHBondContact O-N 3.34Å
38	S	49.5	Very low	50.8	Low	103 Å²	103	138 Å²	138	72%	0.72	74%	0.741	S	S	*	*			trans	-67.1	92.3	157.8	43.6	0	0	0	0	105.2	S36 G40	S36-S38 PolarHBondContact O-N 3.14Å; S38-G40 PolarHBondContact O-N 3.2Å
39	S	51.1	Low	52.7	Low	92 Å²	92	136 Å²	136	64%	0.643	72%	0.724	S	S	*	*			trans	-54.5	101.3	161.6	58	0	0	0	0	105.3	W37 V41	W37-S39 PolarHBondContact O-N 3.34Å; S39-V41 PolarHBondContact O-N 3.16Å
40	G	42.9	Very low	54.6	Low	74 Å²	74	131.9 Å²	131.9	76%	0.763	70%	0.699	S	S	*	*			trans	-66.2	32.7	175.8	0	0	0	0	0	112.3	S38 K42	S38-G40 PolarHBondContact O-N 3.2Å; G40-K42 VanDerWaalsContact C-N 3.3Å; G40-K42 PolarHBondContact O-N 3.49Å
41	V	51.7	Low	56.5	Low	109 Å²	109	126.3 Å²	126.3	66%	0.661	68%	0.681	S	S	*	*			trans	-63.7	98.1	165.1	-179.1	0	0	0	0	104.9	S39 V43	S39-V41 PolarHBondContact O-N 3.16Å; V41-V43 VanDerWaalsContact C-N 3.28Å; V41-V43 PolarHBondContact O-N 3.11Å
42	K	50.9	Low	58.2	Low	192 Å²	192	128.1 Å²	128.1	84%	0.835	67%	0.673	S	S	*	*			trans	-56.4	97.9	168.6	-71.2	-178	178.7	177.6	0	107	G40 R44	G40-K42 VanDerWaalsContact C-N 3.3Å; G40-K42 PolarHBondContact O-N 3.49Å; K42-R44 PolarHBondContact O-N 2.93Å
43	V	58	Low	59.6	Low	134 Å²	134	129.8 Å²	129.8	81%	0.812	66%	0.66	S	S	*	*			trans	-60.4	108.2	174.1	-179.8	0	0	0	0	106	V41 S45	V41-V43 VanDerWaalsContact C-N 3.28Å; V41-V43 PolarHBondContact O-N 3.11Å; V43-S45 PolarHBondContact O-N 2.66Å
44	R	61.5	Low	61.9	Low	196 Å²	196	131.4 Å²	131.4	74%	0.74	66%	0.661	S	S	*	*			trans	-59.8	127.5	177.2	-81.5	-179.7	170.2	170.1	-1.5	107.7	K42 Y46	K42-R44 PolarHBondContact O-N 2.93Å; R44-Y46 PolarHBondContact O-N 3.22Å
45	S	81.1	Confident	63.3	Low	49 Å²	49	133.5 Å²	133.5	34%	0.343	65%	0.651	S	S	.	*			trans	-53.5	124.8	179.1	168.2	0	0	0	0	110.1	V43 L47 Q48 Y49	V43-S45 PolarHBondContact O-N 2.66Å; S45-L47 PolarHBondContact O-N 3.26Å; S45-L47 PolarHBondContact OG-N 2.99Å; S45-Q48 WeakPolarHBondContact O-CA 3.28Å; S45-Q48 WeakPolarHBondContact O-CB 3.42Å; S45-Q48 PolarHBondContact O-N 3.36Å; S45-Y49 PolarHBondContact O-N 3.36Å
46	Y	76.4	Confident	64.8	Low	176 Å²	176	129.3 Å²	129.3	69%	0.69	65%	0.649	S	S	*	*	H	α-helix	trans	-53.8	-36.1	176.4	-179.9	-107.9	0	0	0	111.6	R44 Q48 Y49 V50	R44-Y46 PolarHBondContact O-N 3.22Å; Y46-Q48 PolarHBondContact O-N 2.75Å; Y46-Y49 WeakPolarHBondContact O-CB 3.44Å; Y46-Y49 PolarHBondContact O-N 3.2Å; Y46-V50 HydrophobicContact CD1-CG2 4.3Å; Y46-V50 HydrophobicContact CE1-CG2 3.91Å; Y46-V50 HydrophobicContact CE2-CG2 4.23Å; Y46-V50 WeakPolarHBondContact O-CG2 3.37Å; Y46-V50 PolarHBondContact O-N 3.2Å
47	L	76	Confident	66.4	Low	134 Å²	134	129.4 Å²	129.4	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-64.6	-38.8	174.5	-67.2	172.5	0	0	0	112.7	S45 Y49 K51	S45-L47 PolarHBondContact O-N 3.26Å; S45-L47 PolarHBondContact OG-N 2.99Å; L47-Y49 VanDerWaalsContact C-N 3.34Å; L47-K51 WeakPolarHBondContact O-CB 3.27Å; L47-K51 PolarHBondContact O-N 2.79Å
48	Q	75.7	Confident	68.3	Low	133 Å²	133	122.7 Å²	122.7	62%	0.621	63%	0.633	S	S	*	*	H	α-helix	trans	-67.6	-36	174	-69.7	175.2	-19	0	0	111.7	S45 Y46 R52	S45-Q48 WeakPolarHBondContact O-CA 3.28Å; S45-Q48 WeakPolarHBondContact O-CB 3.42Å; S45-Q48 PolarHBondContact O-N 3.36Å; Y46-Q48 PolarHBondContact O-N 2.75Å; Q48-R52 WeakPolarHBondContact O-CB 3.37Å; Q48-R52 PolarHBondContact O-N 3.3Å
49	Y	75.2	Confident	70.2	Confident	116 Å²	116	123 Å²	123	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-62.8	-50.6	174.2	172	-90	0	0	0	111.8	S45 Y46 L47 R52 K53	S45-Y49 PolarHBondContact O-N 3.36Å; Y46-Y49 WeakPolarHBondContact O-CB 3.44Å; Y46-Y49 PolarHBondContact O-N 3.2Å; L47-Y49 VanDerWaalsContact C-N 3.34Å; Y49-R52 WeakPolarHBondContact O-CB 3.41Å; Y49-R52 PolarHBondContact O-N 3.31Å; Y49-K53 HydrophobicContact CE1-CG 4.13Å; Y49-K53 PolarHBondContact O-N 2.82Å
50	V	79.9	Confident	72.3	Confident	49 Å²	49	121.3 Å²	121.3	30%	0.297	62%	0.618	S	S	.	*	H	α-helix	trans	-62.6	-45.2	177.7	174.6	0	0	0	0	110.5	Y46 R52 K53 L54	Y46-V50 HydrophobicContact CD1-CG2 4.3Å; Y46-V50 HydrophobicContact CE1-CG2 3.91Å; Y46-V50 HydrophobicContact CE2-CG2 4.23Å; Y46-V50 WeakPolarHBondContact O-CG2 3.37Å; Y46-V50 PolarHBondContact O-N 3.2Å; V50-R52 PolarHBondContact O-N 2.86Å; V50-K53 WeakPolarHBondContact O-CB 3.27Å; V50-K53 PolarHBondContact O-N 2.84Å; V50-L54 HydrophobicContact CG1-CD1 3.81Å; V50-L54 HydrophobicContact CG1-CG 4.27Å; V50-L54 WeakPolarHBondContact O-CG 3.27Å; V50-L54 PolarHBondContact O-N 2.85Å
51	K	76	Confident	74.9	Confident	121 Å²	121	119.2 Å²	119.2	53%	0.526	59%	0.591	S	S	.	*	H	α-helix	trans	-58.7	-34.6	176	-169.5	174.1	-173.4	174.6	0	112.5	L47 R55	L47-K51 WeakPolarHBondContact O-CB 3.27Å; L47-K51 PolarHBondContact O-N 2.79Å; K51-R55 WeakPolarHBondContact O-CG 3.44Å; K51-R55 PolarHBondContact O-N 2.88Å; K51-R55 VanDerWaalsContact O-N 3.17Å
52	R	72.4	Confident	77.1	Confident	155 Å²	155	116.3 Å²	116.3	59%	0.585	57%	0.569	S	S	*	*	H	α-helix	trans	-71.2	-35	174.4	-169.4	178.4	75.7	165.8	7	112.5	Q48 Y49 V50 L54	Q48-R52 WeakPolarHBondContact O-CB 3.37Å; Q48-R52 PolarHBondContact O-N 3.3Å; Y49-R52 WeakPolarHBondContact O-CB 3.41Å; Y49-R52 PolarHBondContact O-N 3.31Å; V50-R52 PolarHBondContact O-N 2.86Å; R52-L54 VanDerWaalsContact C-N 3.32Å
53	K	73.6	Confident	79.2	Confident	143 Å²	143	111.1 Å²	111.1	62%	0.622	56%	0.557	S	S	*	*	H	α-helix	trans	-71.7	-27	175.6	-75.8	-71.4	-170.8	174.6	0	113.1	Y49 V50	Y49-K53 HydrophobicContact CE1-CG 4.13Å; Y49-K53 PolarHBondContact O-N 2.82Å; V50-K53 WeakPolarHBondContact O-CB 3.27Å; V50-K53 PolarHBondContact O-N 2.84Å
54	L	81.6	Confident	81	Confident	137 Å²	137	109.2 Å²	109.2	72%	0.717	54%	0.538	S	S	*	.	H	α-helix	trans	-87.4	-18.7	178	-65.7	173.6	0	0	0	113.8	V50 R52	V50-L54 HydrophobicContact CG1-CD1 3.81Å; V50-L54 HydrophobicContact CG1-CG 4.27Å; V50-L54 WeakPolarHBondContact O-CG 3.27Å; V50-L54 PolarHBondContact O-N 2.85Å; R52-L54 VanDerWaalsContact C-N 3.32Å
55	R	75	Confident	82.8	Confident	160 Å²	160	100.5 Å²	100.5	60%	0.604	51%	0.507	S	S	*	.	S	Bend	trans	-76.8	130.6	173.7	-78.5	172.7	176.5	-171.5	-5.5	109	K51	K51-R55 WeakPolarHBondContact O-CG 3.44Å; K51-R55 PolarHBondContact O-N 2.88Å; K51-R55 VanDerWaalsContact O-N 3.17Å
56	P	71.7	Confident	83.6	Confident	109 Å²	109	98.3 Å²	98.3	71%	0.708	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-57.5	145.5	170.4	26.1	-32.6	0	0	0	108.7
57	P	73.5	Confident	84.6	Confident	104 Å²	104	93.4 Å²	93.4	68%	0.675	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-56.3	141	174.1	25.8	-32.6	0	0	0	108.3	T59	P57-T59 PolarHBondContact O-N 3.4Å
58	P	80	Confident	85.7	Confident	90 Å²	90	90.3 Å²	90.3	58%	0.584	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-55.4	139.8	172.7	25.7	-32.3	0	0	0	108.1	Y62	P58-Y62 HydrophobicContact CB-CD1 4.18Å; P58-Y62 HydrophobicContact CB-CE1 3.88Å; P58-Y62 HydrophobicContact CG-CD1 4.43Å; P58-Y62 HydrophobicContact CG-CE1 3.95Å; P58-Y62 VanDerWaalsContact O-CE1 3.23Å; P58-Y62 WeakPolarHBondContact O-CE1 3.33Å; P58-Y62 PolarHBondContact O-OH 3.39Å
59	T	90.6	Very high	86.7	Confident	109 Å²	109	87.5 Å²	87.5	67%	0.669	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-99.1	145.8	173.8	54.3	0	0	0	0	109.1	P57	P57-T59 PolarHBondContact O-N 3.4Å
60	P	94.4	Very high	87.7	Confident	58 Å²	58	84.5 Å²	84.5	38%	0.377	46%	0.46	S	S	.	.	S	Bend	trans	-62.4	157.8	173.7	27.7	-34.3	0	0	0	111.5	Y62 G115 V116	P60-Y62 HydrophobicContact CB-CD2 4.5Å; P60-Y62 HydrophobicContact CB-CE2 4.36Å; P60-G115 VanDerWaalsContact CB-O 3.27Å; P60-G115 WeakPolarHBondContact CB-O 3.32Å; P60-G115 WeakPolarHBondContact CG-O 3.42Å; P60-V116 HydrophobicContact CB-CG2 3.94Å
61	P	97.4	Very high	88.6	Confident	30 Å²	30	86.7 Å²	86.7	20%	0.195	48%	0.475	C	S	.	.	S	Bend	cis	-70.7	132.9	-1.2	30.4	-35.4	0	0	0	112.2	R92 V93 T96 V114 V116	P61-R92 HydrophobicContact CG-CG 4.41Å; P61-V93 HydrophobicContact CB-CG2 4.4Å; P61-V93 HydrophobicContact CG-CG2 4.25Å; P61-T96 HydrophobicContact CB-CG2 3.89Å; P61-T96 HydrophobicContact CG-CG2 4.18Å; P61-V114 WeakPolarHBondContact CA-O 3.34Å; P61-V114 HydrophobicContact CB-CG2 4.27Å; P61-V116 HydrophobicContact CB-CG2 3.78Å
62	Y	97.3	Very high	89.6	Confident	48 Å²	48	81.8 Å²	81.8	19%	0.188	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-75.3	142	179.5	-66.4	-50.6	0	0	0	111.6	P58 P60 H64 T96 V114	P58-Y62 HydrophobicContact CB-CD1 4.18Å; P58-Y62 HydrophobicContact CB-CE1 3.88Å; P58-Y62 HydrophobicContact CG-CD1 4.43Å; P58-Y62 HydrophobicContact CG-CE1 3.95Å; P58-Y62 VanDerWaalsContact O-CE1 3.23Å; P58-Y62 WeakPolarHBondContact O-CE1 3.33Å; P58-Y62 PolarHBondContact O-OH 3.39Å; P60-Y62 HydrophobicContact CB-CD2 4.5Å; P60-Y62 HydrophobicContact CB-CE2 4.36Å; Y62-H64 WeakPolarHBondContact CB-O 3.46Å; Y62-H64 AromaticContact CD1-CE1 3.82Å; Y62-H64 AromaticContact CG-CE1 3.7Å; Y62-H64 PolarHBondContact O-N 2.88Å; Y62-T96 WeakPolarHBondContact O-CG2 3.4Å; Y62-V114 WeakPolarHBondContact CD2-O 3.45Å; Y62-V114 PolarHBondContact N-O 3.49Å
63	S	96.1	Very high	90.9	Very high	83 Å²	83	74.4 Å²	74.4	58%	0.58	43%	0.428	S	S	*	.	S	Bend	trans	-78.8	12.2	170.3	63	0	0	0	0	113.1	R103	S63-R103 PolarHBondContact O-NH1 2.81Å; S63-R103 PolarHBondContact O-NH2 2.88Å
64	H	95.9	Very high	92.1	Very high	93 Å²	93	73.1 Å²	73.1	43%	0.431	42%	0.419	S	S	.	.	S	Bend	trans	-139.3	166.4	176.6	65.9	-81.1	0	0	0	109.2	Y62	Y62-H64 WeakPolarHBondContact CB-O 3.46Å; Y62-H64 AromaticContact CD1-CE1 3.82Å; Y62-H64 AromaticContact CG-CE1 3.7Å; Y62-H64 PolarHBondContact O-N 2.88Å
65	V	98.2	Very high	92.8	Very high	13 Å²	13	69.6 Å²	69.6	8%	0.079	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-90.8	125	179.3	173.1	0	0	0	0	110.4	Q67 V100 L104 L109 Q113 E171 S172	V65-Q67 PolarHBondContact O-NE2 2.97Å; V65-Q67 VanDerWaalsContact O-NE2 3.14Å; V65-V100 HydrophobicContact CG2-CG1 3.7Å; V65-L104 HydrophobicContact CB-CD1 4.49Å; V65-L104 HydrophobicContact CG2-CD1 3.54Å; V65-L109 HydrophobicContact CG2-CD1 4.08Å; V65-Q113 CarbonylContact C-O 3.57Å; V65-Q113 VanDerWaalsContact CA-O 3.28Å; V65-Q113 WeakPolarHBondContact CA-O 3.38Å; V65-Q113 HydrophobicContact CG1-CB 4.14Å; V65-E171 HydrophobicContact CB-CB 4.34Å; V65-E171 HydrophobicContact CG1-CB 3.89Å; V65-E171 HydrophobicContact CG2-CB 4.14Å; V65-S172 VanDerWaalsContact CG1-OG 3.25Å; V65-S172 WeakPolarHBondContact CG1-OG 3.05Å
66	C	98.3	Very high	93.9	Very high	4 Å²	4	71.2 Å²	71.2	3%	0.027	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-54.8	136.4	168.9	-71	0	0	0	0	109.8	D70 V72 L73 Q113 S172	C66-D70 HydrophobicContact CB-CB 4.17Å; C66-D70 PolarHBondContact SG-OD2 3.33Å; C66-V72 HydrophobicContact CB-CG1 4.23Å; C66-L73 HydrophobicContact CB-CD1 4.19Å; C66-L73 HydrophobicContact CB-CD2 4.22Å; C66-L73 HydrophobicContact CB-CG 4.21Å; C66-Q113 PolarHBondContact N-O 3.35Å; C66-S172 WeakPolarHBondContact O-CA 3.22Å; C66-S172 WeakPolarHBondContact O-CB 3.48Å; C66-S172 PolarHBondContact O-OG 3.3Å
67	Q	98.4	Very high	95.2	Very high	73 Å²	73	66.3 Å²	66.3	34%	0.341	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-99	154.4	178.8	-62.8	-58.8	-69.6	0	0	110.9	V65 G69 D70 L73 E171 S172 S174	V65-Q67 PolarHBondContact O-NE2 2.97Å; V65-Q67 VanDerWaalsContact O-NE2 3.14Å; Q67-G69 PolarHBondContact O-N 2.96Å; Q67-D70 WeakPolarHBondContact O-CB 3.44Å; Q67-D70 PolarHBondContact O-N 3.19Å; Q67-L73 VanDerWaalsContact C-CD1 3.46Å; Q67-L73 WeakPolarHBondContact O-CD1 3.21Å; Q67-E171 PolarHBondContact NE2-O 3Å; Q67-S172 CarbonylContact C-O 3.55Å; Q67-S172 WeakPolarHBondContact CA-O 3.42Å; Q67-S172 PolarHBondContact OE1-O 3.02Å; Q67-S174 PolarHBondContact OE1-OG 3.05Å
68	V	97.9	Very high	96.4	Very high	69 Å²	69	64.1 Å²	64.1	42%	0.418	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	130.3	174.4	61.6	0	0	0	0	110.9	S172 V173 L221 L223	V68-S172 PolarHBondContact N-O 3.24Å; V68-V173 HydrophobicContact CB-CG2 4.25Å; V68-V173 HydrophobicContact CG1-CG1 4.5Å; V68-V173 HydrophobicContact CG1-CG2 4.32Å; V68-L221 HydrophobicContact CB-CD1 4.22Å; V68-L221 HydrophobicContact CG2-CD1 3.81Å; V68-L223 HydrophobicContact CG2-CD1 4.41Å
69	G	96.8	Very high	97.2	Very high	74 Å²	74	63.1 Å²	63.1	76%	0.763	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.9	-23.7	-168.7	0	0	0	0	0	113.2	Q67	Q67-G69 PolarHBondContact O-N 2.96Å
70	D	97.6	Very high	97.6	Very high	53 Å²	53	58.2 Å²	58.2	28%	0.283	34%	0.34	S	S	.	.			trans	-68.6	123.2	165.7	-168	-35.3	0	0	0	109.7	C66 Q67 V72 L73	C66-D70 HydrophobicContact CB-CB 4.17Å; C66-D70 PolarHBondContact SG-OD2 3.33Å; Q67-D70 WeakPolarHBondContact O-CB 3.44Å; Q67-D70 PolarHBondContact O-N 3.19Å; D70-V72 HydrophobicContact CB-CG1 4.32Å; D70-V72 PolarHBondContact O-N 3.17Å; D70-V72 VanDerWaalsContact O-N 3.16Å; D70-V72 VanDerWaalsContact OD1-CG1 3.27Å; D70-V72 WeakPolarHBondContact OD1-CG1 3.29Å; D70-V72 PolarHBondContact OD1-N 3.26Å; D70-V72 VanDerWaalsContact OD1-N 3.11Å; D70-L73 HydrophobicContact CB-CD1 4.49Å; D70-L73 PolarHBondContact O-N 3Å
71	P	97.6	Very high	97.8	Very high	94 Å²	94	60.1 Å²	60.1	61%	0.61	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.8	-176.1	24.3	-35.8	0	0	0	113.7	L73 R74 C75	P71-L73 PolarHBondContact O-N 3.21Å; P71-L73 VanDerWaalsContact O-N 3.14Å; P71-R74 PolarHBondContact O-N 2.87Å; P71-C75 PolarHBondContact O-N 2.8Å; P71-C75 PolarHBondContact O-SG 3.23Å; P71-C75 VanDerWaalsContact O-SG 3.34Å
72	V	97.9	Very high	97.7	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.115	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-57.7	-31	179.3	73.4	0	0	0	0	112.4	C66 D70 R74 P112 P117	C66-V72 HydrophobicContact CB-CG1 4.23Å; D70-V72 HydrophobicContact CB-CG1 4.32Å; D70-V72 PolarHBondContact O-N 3.17Å; D70-V72 VanDerWaalsContact O-N 3.16Å; D70-V72 VanDerWaalsContact OD1-CG1 3.27Å; D70-V72 WeakPolarHBondContact OD1-CG1 3.29Å; D70-V72 PolarHBondContact OD1-N 3.26Å; D70-V72 VanDerWaalsContact OD1-N 3.11Å; V72-R74 PolarHBondContact O-N 3.35Å; V72-P112 VanDerWaalsContact CG1-O 3.3Å; V72-P112 WeakPolarHBondContact CG1-O 3.46Å; V72-P112 HydrophobicContact CG2-CB 4.42Å; V72-P117 HydrophobicContact CG2-CB 4.23Å
73	L	98.7	Very high	97.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-77.5	-7.6	-179.8	-60.9	177.4	0	0	0	113.6	C66 Q67 D70 P71 Q113 G219	C66-L73 HydrophobicContact CB-CD1 4.19Å; C66-L73 HydrophobicContact CB-CD2 4.22Å; C66-L73 HydrophobicContact CB-CG 4.21Å; Q67-L73 VanDerWaalsContact C-CD1 3.46Å; Q67-L73 WeakPolarHBondContact O-CD1 3.21Å; D70-L73 HydrophobicContact CB-CD1 4.49Å; D70-L73 PolarHBondContact O-N 3Å; P71-L73 PolarHBondContact O-N 3.21Å; P71-L73 VanDerWaalsContact O-N 3.14Å; L73-Q113 HydrophobicContact CD2-CB 4.48Å; L73-Q113 HydrophobicContact CD2-CG 3.97Å; L73-G219 CarbonylContact O-C 3.25Å; L73-G219 WeakPolarHBondContact O-CA 3.36Å
74	R	98.4	Very high	97.7	Very high	115 Å²	115	62.2 Å²	62.2	43%	0.434	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-115.7	-3.7	179.5	-65.9	-56.2	-163.5	170	2.2	112.8	P71 V72 G219 D224	P71-R74 PolarHBondContact O-N 2.87Å; V72-R74 PolarHBondContact O-N 3.35Å; R74-G219 WeakPolarHBondContact CD-O 3.48Å; R74-G219 PolarHBondContact NH1-O 3.16Å; R74-D224 IonicContact CZ-OD1 3.51Å; R74-D224 IonicContact CZ-OD2 3.59Å; R74-D224 VanDerWaalsContact NH1-CG 3.32Å; R74-D224 IonicContact NH1-OD1 3.5Å; R74-D224 PolarHBondContact NH1-OD1 3.02Å; R74-D224 IonicContact NH1-OD2 2.66Å; R74-D224 PolarHBondContact NH1-OD2 3.04Å; R74-D224 IonicContact NH2-OD1 2.86Å; R74-D224 PolarHBondContact NH2-OD1 3.5Å; R74-D224 IonicContact NH2-OD2 3.7Å
75	C	96.6	Very high	97.7	Very high	64 Å²	64	57.8 Å²	57.8	43%	0.432	36%	0.355	S	S	.	.	S	Bend	trans	-88.8	142.9	174.9	-69.6	0	0	0	0	110.4	P71 A77	P71-C75 PolarHBondContact O-N 2.8Å; P71-C75 PolarHBondContact O-SG 3.23Å; P71-C75 VanDerWaalsContact O-SG 3.34Å; C75-A77 PolarHBondContact O-N 2.81Å
76	R	98.5	Very high	97.5	Very high	193 Å²	193	61.2 Å²	61.2	73%	0.728	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-68.6	124	166.2	-171.4	173.7	-169.6	-159.4	-3.5	109	D218	R76-D218 IonicContact NE-OD1 3.28Å; R76-D218 PolarHBondContact NE-OD1 2.93Å
77	A	98.5	Very high	97.5	Very high	6 Å²	6	62 Å²	62	5%	0.05	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-70.3	143.9	-178.5	0	0	0	0	0	111.4	C75 P112 R119 L217	C75-A77 PolarHBondContact O-N 2.81Å; A77-P112 HydrophobicContact CB-CG 4.09Å; A77-R119 HydrophobicContact CB-CG 3.88Å; A77-R119 VanDerWaalsContact O-CG 3.27Å; A77-R119 WeakPolarHBondContact O-CG 3.35Å; A77-L217 HydrophobicContact CB-CB 4.41Å; A77-L217 WeakPolarHBondContact CB-O 3.37Å; A77-L217 PolarHBondContact N-O 3.2Å
78	A	98.6	Very high	97.4	Very high	58 Å²	58	63.9 Å²	63.9	48%	0.479	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-78.9	149.5	178.8	0	0	0	0	0	111.5	P117 L118 R119	A78-P117 PolarHBondContact N-O 3.05Å; A78-L118 HydrophobicContact CB-CD2 4.35Å; A78-L118 CarbonylContact O-C 3.5Å; A78-L118 WeakPolarHBondContact O-CA 3.45Å; A78-R119 WeakPolarHBondContact O-CG 3.4Å; A78-R119 PolarHBondContact O-N 3.45Å
79	A	98.5	Very high	97.3	Very high	69 Å²	69	67.8 Å²	67.8	57%	0.57	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64	144.9	173.2	0	0	0	0	0	110.9	N153	A79-N153 VanDerWaalsContact CA-OD1 3.28Å; A79-N153 WeakPolarHBondContact CA-OD1 3.49Å
80	V	98.3	Very high	97.4	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.036	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-80.8	132.1	169.8	-176.4	0	0	0	0	108.4	P82 I85 I90 L118 I120 L152 N153	V80-P82 WeakPolarHBondContact O-CD 3.47Å; V80-I85 HydrophobicContact CG1-CG1 3.9Å; V80-I90 HydrophobicContact CG1-CD1 3.81Å; V80-I90 HydrophobicContact CG1-CG1 4.06Å; V80-L118 HydrophobicContact CG2-CB 3.97Å; V80-L118 HydrophobicContact CG2-CD1 4.3Å; V80-L118 HydrophobicContact CG2-CD2 4.42Å; V80-L118 HydrophobicContact CG2-CG 4.46Å; V80-I120 HydrophobicContact CG2-CD1 3.91Å; V80-I120 HydrophobicContact CG2-CG1 3.66Å; V80-L152 HydrophobicContact CB-CD2 4.44Å; V80-L152 HydrophobicContact CG1-CD2 4.1Å; V80-L152 HydrophobicContact CG2-CD2 4.3Å; V80-N153 PolarHBondContact N-OD1 3.24Å; V80-N153 PolarHBondContact O-ND2 2.98Å
81	D	97.6	Very high	97.4	Very high	99 Å²	99	65.1 Å²	65.1	53%	0.529	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.5	121.6	169.2	178.4	-2.2	0	0	0	109.4	A83 A84	D81-A83 PolarHBondContact O-N 3.18Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-A83 PolarHBondContact OD1-N 2.94Å; D81-A84 HydrophobicContact CB-CB 4.09Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 3.07Å
82	P	96.9	Very high	97.4	Very high	79 Å²	79	68.7 Å²	68.7	51%	0.513	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-52.2	-34.3	177.7	-27.7	36.2	0	0	0	113.9	V80 A84 I85 L191	V80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-A84 PolarHBondContact O-N 3.47Å; P82-I85 WeakPolarHBondContact O-CG1 3.36Å; P82-I85 PolarHBondContact O-N 3.44Å; P82-L191 HydrophobicContact CB-CD1 4.04Å; P82-L191 HydrophobicContact CG-CD1 4.01Å
83	A	95.8	Very high	97.4	Very high	86 Å²	86	68.1 Å²	68.1	71%	0.711	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-68.8	-23.9	178.4	0	0	0	0	0	113	D81	D81-A83 PolarHBondContact O-N 3.18Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-A83 PolarHBondContact OD1-N 2.94Å
84	A	96.1	Very high	97.4	Very high	39 Å²	39	68.4 Å²	68.4	32%	0.322	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-87.4	-9.7	-179	0	0	0	0	0	113.6	D81 P82 A86 G87 I90	D81-A84 HydrophobicContact CB-CB 4.09Å; D81-A84 WeakPolarHBondContact O-CB 3.36Å; D81-A84 PolarHBondContact O-N 3.07Å; P82-A84 PolarHBondContact O-N 3.47Å; A84-A86 PolarHBondContact O-N 2.83Å; A84-G87 WeakPolarHBondContact O-CA 3.39Å; A84-G87 PolarHBondContact O-N 3.02Å; A84-I90 HydrophobicContact CB-CG1 4.36Å; A84-I90 VanDerWaalsContact O-CG1 3.29Å; A84-I90 WeakPolarHBondContact O-CG1 3.23Å
85	I	96.7	Very high	97.4	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-44.6	-173.5	-63.7	-180	0	0	0	111.9	V80 P82 G87 Q91 L152 L191 E193	V80-I85 HydrophobicContact CG1-CG1 3.9Å; P82-I85 WeakPolarHBondContact O-CG1 3.36Å; P82-I85 PolarHBondContact O-N 3.44Å; I85-G87 PolarHBondContact O-N 2.8Å; I85-Q91 PolarHBondContact O-NE2 3.31Å; I85-L152 HydrophobicContact CD1-CB 4.42Å; I85-L152 HydrophobicContact CD1-CD2 4.14Å; I85-L152 HydrophobicContact CG1-CD2 3.95Å; I85-L152 HydrophobicContact CG2-CD2 4.07Å; I85-L191 HydrophobicContact CD1-CB 3.99Å; I85-L191 HydrophobicContact CD1-CD1 3.51Å; I85-L191 HydrophobicContact CD1-CG 4.4Å; I85-E193 WeakPolarHBondContact CG2-O 3.48Å
86	A	94.8	Very high	97.5	Very high	84 Å²	84	65.7 Å²	65.7	69%	0.694	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-6	175.6	0	0	0	0	0	113	A84	A84-A86 PolarHBondContact O-N 2.83Å
87	G	96.4	Very high	97.5	Very high	21 Å²	21	56.5 Å²	56.5	22%	0.216	35%	0.35	C	S	.	.	S	Bend	trans	-72.2	154	-178.3	0	0	0	0	0	113.1	A84 I85 E89 I90 Q91	A84-G87 WeakPolarHBondContact O-CA 3.39Å; A84-G87 PolarHBondContact O-N 3.02Å; I85-G87 PolarHBondContact O-N 2.8Å; G87-E89 PolarHBondContact O-N 3.13Å; G87-E89 VanDerWaalsContact O-N 3.15Å; G87-I90 PolarHBondContact O-N 2.67Å; G87-Q91 WeakPolarHBondContact O-CG 3.34Å; G87-Q91 PolarHBondContact O-N 3.49Å; G87-Q91 VanDerWaalsContact O-N 3.13Å
88	P	97.1	Very high	97.6	Very high	112 Å²	112	57.2 Å²	57.2	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-24.3	-174.6	25.6	-35.2	0	0	0	113.7	R92	P88-R92 VanDerWaalsContact O-CB 3.32Å; P88-R92 WeakPolarHBondContact O-CB 3.47Å; P88-R92 PolarHBondContact O-N 3.35Å; P88-R92 VanDerWaalsContact O-N 3.13Å
89	E	96.5	Very high	97.5	Very high	151 Å²	151	58.3 Å²	58.3	71%	0.706	35%	0.354	S	S	*	.	H	α-helix	trans	-70.3	-53.9	178.2	-174.9	174.3	-173.3	0	0	111.6	G87 Q91 R92 V93	G87-E89 PolarHBondContact O-N 3.13Å; G87-E89 VanDerWaalsContact O-N 3.15Å; E89-Q91 PolarHBondContact O-N 3.41Å; E89-R92 WeakPolarHBondContact O-CB 3.42Å; E89-R92 PolarHBondContact O-N 3.04Å; E89-V93 PolarHBondContact O-N 3.29Å; E89-V93 VanDerWaalsContact O-N 3.17Å
90	I	98.1	Very high	97.5	Very high	9 Å²	9	55 Å²	55	5%	0.046	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-43.4	178.8	-61	-58.2	0	0	0	110.5	V80 A84 G87 R92 V93 L94 L118 I120 L152	V80-I90 HydrophobicContact CG1-CD1 3.81Å; V80-I90 HydrophobicContact CG1-CG1 4.06Å; A84-I90 HydrophobicContact CB-CG1 4.36Å; A84-I90 VanDerWaalsContact O-CG1 3.29Å; A84-I90 WeakPolarHBondContact O-CG1 3.23Å; G87-I90 PolarHBondContact O-N 2.67Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.47Å; I90-V93 WeakPolarHBondContact O-CA 3.3Å; I90-V93 WeakPolarHBondContact O-CB 3.31Å; I90-V93 PolarHBondContact O-N 3.06Å; I90-L94 HydrophobicContact CG2-CD1 4.37Å; I90-L94 HydrophobicContact CG2-CG 4.31Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 3.29Å; I90-L118 HydrophobicContact CD1-CD1 3.63Å; I90-I120 HydrophobicContact CG2-CD1 4.37Å; I90-L152 HydrophobicContact CG2-CD2 3.81Å
91	Q	97.8	Very high	97.5	Very high	62 Å²	62	54.8 Å²	54.8	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-35.9	177.3	-65.8	-60.9	-40.8	0	0	112.4	I85 G87 E89 L94 V95 E193	I85-Q91 PolarHBondContact O-NE2 3.31Å; G87-Q91 WeakPolarHBondContact O-CG 3.34Å; G87-Q91 PolarHBondContact O-N 3.49Å; G87-Q91 VanDerWaalsContact O-N 3.13Å; E89-Q91 PolarHBondContact O-N 3.41Å; Q91-L94 PolarHBondContact O-N 2.84Å; Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3Å; Q91-E193 PolarHBondContact NE2-O 3.45Å
92	R	98	Very high	97.6	Very high	170 Å²	170	56.4 Å²	56.4	64%	0.642	33%	0.325	S	S	*	.	H	α-helix	trans	-64.4	-39.5	173.2	-175.3	-175.1	-62.7	-174.5	0.7	112.1	P61 P88 E89 I90 T96	P61-R92 HydrophobicContact CG-CG 4.41Å; P88-R92 VanDerWaalsContact O-CB 3.32Å; P88-R92 WeakPolarHBondContact O-CB 3.47Å; P88-R92 PolarHBondContact O-N 3.35Å; P88-R92 VanDerWaalsContact O-N 3.13Å; E89-R92 WeakPolarHBondContact O-CB 3.42Å; E89-R92 PolarHBondContact O-N 3.04Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.47Å; R92-T96 WeakPolarHBondContact O-CB 3.05Å; R92-T96 PolarHBondContact O-N 3.17Å; R92-T96 PolarHBondContact O-OG1 3.21Å
93	V	98.5	Very high	97.6	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-49.8	174.9	176.8	0	0	0	0	110.2	P61 E89 I90 V95 T96 M97 A111 V116 I120	P61-V93 HydrophobicContact CB-CG2 4.4Å; P61-V93 HydrophobicContact CG-CG2 4.25Å; E89-V93 PolarHBondContact O-N 3.29Å; E89-V93 VanDerWaalsContact O-N 3.17Å; I90-V93 WeakPolarHBondContact O-CA 3.3Å; I90-V93 WeakPolarHBondContact O-CB 3.31Å; I90-V93 PolarHBondContact O-N 3.06Å; V93-V95 PolarHBondContact O-N 2.97Å; V93-T96 PolarHBondContact O-N 2.86Å; V93-M97 HydrophobicContact CG1-CG 4.26Å; V93-M97 HydrophobicContact CG1-SD 3.8Å; V93-M97 WeakPolarHBondContact O-CG 3.44Å; V93-M97 PolarHBondContact O-N 3.13Å; V93-A111 HydrophobicContact CG1-CB 4.45Å; V93-V116 HydrophobicContact CG1-CB 4.38Å; V93-V116 HydrophobicContact CG1-CG1 4.21Å; V93-V116 HydrophobicContact CG1-CG2 4.21Å; V93-V116 HydrophobicContact CG2-CG1 4.22Å; V93-V116 HydrophobicContact CG2-CG2 4.07Å; V93-I120 HydrophobicContact CG1-CD1 4.24Å
94	L	98.6	Very high	97.7	Very high	6 Å²	6	58 Å²	58	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-49.6	179.6	-62.8	-176.1	0	0	0	112.1	I90 Q91 T96 M97 V98 I120 M122 I150 E193	I90-L94 HydrophobicContact CG2-CD1 4.37Å; I90-L94 HydrophobicContact CG2-CG 4.31Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 3.29Å; Q91-L94 PolarHBondContact O-N 2.84Å; L94-T96 VanDerWaalsContact C-N 3.3Å; L94-T96 PolarHBondContact O-N 3.27Å; L94-M97 PolarHBondContact O-N 3.48Å; L94-V98 WeakPolarHBondContact O-CG2 3.46Å; L94-V98 PolarHBondContact O-N 2.95Å; L94-I120 HydrophobicContact CD2-CD1 4.47Å; L94-I120 HydrophobicContact CD2-CG2 3.62Å; L94-M122 HydrophobicContact CD2-CE 4.41Å; L94-I150 HydrophobicContact CD2-CG2 3.75Å; L94-E193 HydrophobicContact CD1-CB 3.71Å
95	V	98.5	Very high	97.7	Very high	92 Å²	92	61.8 Å²	61.8	56%	0.558	32%	0.317	S	S	*	.	H	α-helix	trans	-59.8	-41.8	177.6	169.7	0	0	0	0	111.6	Q91 V93 T99	Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3Å; V93-V95 PolarHBondContact O-N 2.97Å; V95-T99 WeakPolarHBondContact O-CB 3.32Å; V95-T99 PolarHBondContact O-N 2.95Å; V95-T99 PolarHBondContact O-OG1 2.95Å
96	T	98.6	Very high	97.7	Very high	29 Å²	29	62.7 Å²	62.7	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-45.9	179	-55.9	0	0	0	0	111	P61 Y62 R92 V93 L94 T99 V100	P61-T96 HydrophobicContact CB-CG2 3.89Å; P61-T96 HydrophobicContact CG-CG2 4.18Å; Y62-T96 WeakPolarHBondContact O-CG2 3.4Å; R92-T96 WeakPolarHBondContact O-CB 3.05Å; R92-T96 PolarHBondContact O-N 3.17Å; R92-T96 PolarHBondContact O-OG1 3.21Å; V93-T96 PolarHBondContact O-N 2.86Å; L94-T96 VanDerWaalsContact C-N 3.3Å; L94-T96 PolarHBondContact O-N 3.27Å; T96-T99 WeakPolarHBondContact O-CB 3.17Å; T96-T99 PolarHBondContact O-N 3.37Å; T96-V100 HydrophobicContact CG2-CG2 4.39Å; T96-V100 WeakPolarHBondContact O-CG2 3.43Å; T96-V100 PolarHBondContact O-N 2.77Å
97	M	98.7	Very high	97.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-46.8	177.8	-71.5	176.2	68.5	0	0	111.9	V93 L94 T99 V100 M101 L109 A111 V114 I120 M122	V93-M97 HydrophobicContact CG1-CG 4.26Å; V93-M97 HydrophobicContact CG1-SD 3.8Å; V93-M97 WeakPolarHBondContact O-CG 3.44Å; V93-M97 PolarHBondContact O-N 3.13Å; L94-M97 PolarHBondContact O-N 3.48Å; M97-T99 VanDerWaalsContact C-N 3.29Å; M97-T99 PolarHBondContact O-N 3.15Å; M97-V100 PolarHBondContact O-N 2.84Å; M97-M101 WeakPolarHBondContact O-CB 3.16Å; M97-M101 PolarHBondContact O-N 3.28Å; M97-L109 HydrophobicContact CB-CD2 4.2Å; M97-L109 WeakPolarHBondContact CE-O 3.44Å; M97-L109 HydrophobicContact CG-CD2 4.5Å; M97-L109 WeakPolarHBondContact O-CD2 3.35Å; M97-A111 HydrophobicContact CE-CB 4.24Å; M97-A111 HydrophobicContact SD-CB 3.82Å; M97-V114 HydrophobicContact CG-CG1 4.45Å; M97-V114 HydrophobicContact CG-CG2 3.68Å; M97-V114 HydrophobicContact SD-CG2 4.49Å; M97-I120 HydrophobicContact CE-CG2 4.22Å; M97-I120 HydrophobicContact SD-CB 4.48Å; M97-I120 HydrophobicContact SD-CG2 3.99Å; M97-M122 HydrophobicContact CB-CE 3.28Å; M97-M122 HydrophobicContact CB-SD 3.63Å; M97-M122 HydrophobicContact CE-CE 3.86Å; M97-M122 HydrophobicContact CE-CG 4.16Å; M97-M122 HydrophobicContact CE-SD 4.42Å; M97-M122 HydrophobicContact CG-CE 4.24Å; M97-M122 HydrophobicContact SD-CE 4.02Å
98	V	98.7	Very high	97.9	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-43.2	176.4	171.9	0	0	0	0	110.9	L94 R102 M122 L148	L94-V98 WeakPolarHBondContact O-CG2 3.46Å; L94-V98 PolarHBondContact O-N 2.95Å; V98-R102 WeakPolarHBondContact O-CB 3.37Å; V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.13Å; V98-M122 HydrophobicContact CB-SD 4.35Å; V98-M122 HydrophobicContact CG2-CE 3.85Å; V98-M122 HydrophobicContact CG2-SD 3.63Å; V98-L148 HydrophobicContact CG1-CD2 4.38Å; V98-L148 HydrophobicContact CG2-CD1 4.3Å; V98-L148 HydrophobicContact CG2-CD2 3.83Å
99	T	98.5	Very high	98	Very high	81 Å²	81	54.2 Å²	54.2	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-45.5	178.7	-59.2	0	0	0	0	111.4	V95 T96 M97 R103	V95-T99 WeakPolarHBondContact O-CB 3.32Å; V95-T99 PolarHBondContact O-N 2.95Å; V95-T99 PolarHBondContact O-OG1 2.95Å; T96-T99 WeakPolarHBondContact O-CB 3.17Å; T96-T99 PolarHBondContact O-N 3.37Å; M97-T99 VanDerWaalsContact C-N 3.29Å; M97-T99 PolarHBondContact O-N 3.15Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 PolarHBondContact O-N 2.78Å
100	V	98.4	Very high	98.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-48.8	178.9	170.8	0	0	0	0	110.8	V65 T96 M97 R102 R103 L104 L109 V114	V65-V100 HydrophobicContact CG2-CG1 3.7Å; T96-V100 HydrophobicContact CG2-CG2 4.39Å; T96-V100 WeakPolarHBondContact O-CG2 3.43Å; T96-V100 PolarHBondContact O-N 2.77Å; M97-V100 PolarHBondContact O-N 2.84Å; V100-R102 PolarHBondContact O-N 3.05Å; V100-R103 PolarHBondContact O-N 3.14Å; V100-L104 HydrophobicContact CG1-CD1 3.86Å; V100-L104 HydrophobicContact CG1-CG 4.48Å; V100-L104 WeakPolarHBondContact O-CG 3.39Å; V100-L104 PolarHBondContact O-N 3.01Å; V100-L109 HydrophobicContact CB-CD2 4.04Å; V100-L109 HydrophobicContact CG1-CD2 3.89Å; V100-V114 HydrophobicContact CG1-CG1 4.42Å; V100-V114 HydrophobicContact CG2-CG1 4.38Å
101	M	98.4	Very high	98.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-51.7	-179.2	-177.1	-179.4	70.2	0	0	111.4	M97 R103 L104 Q105 C106 L109 M122 E124 L148	M97-M101 WeakPolarHBondContact O-CB 3.16Å; M97-M101 PolarHBondContact O-N 3.28Å; M101-R103 PolarHBondContact O-N 3.02Å; M101-L104 PolarHBondContact O-N 2.84Å; M101-Q105 PolarHBondContact O-N 3.43Å; M101-C106 VanDerWaalsContact CG-O 3.23Å; M101-C106 WeakPolarHBondContact CG-O 3.42Å; M101-C106 PolarHBondContact O-N 3.19Å; M101-L109 HydrophobicContact CB-CB 4.16Å; M101-L109 HydrophobicContact CB-CD2 4.21Å; M101-L109 HydrophobicContact CG-CB 4.35Å; M101-L109 HydrophobicContact SD-CB 4.47Å; M101-M122 HydrophobicContact CE-CG 4.39Å; M101-M122 HydrophobicContact CE-SD 4.21Å; M101-M122 HydrophobicContact SD-CG 3.94Å; M101-M122 HydrophobicContact SD-SD 4.31Å; M101-E124 HydrophobicContact CE-CB 3.55Å; M101-E124 HydrophobicContact SD-CB 4.44Å; M101-L148 HydrophobicContact CE-CD1 3.66Å
102	R	98.1	Very high	98.2	Very high	132 Å²	132	43.7 Å²	43.7	50%	0.498	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-36.3	-179.6	-71.3	176.9	171.2	171.5	-5.8	113	V98 V100 Q105 E124	V98-R102 WeakPolarHBondContact O-CB 3.37Å; V98-R102 WeakPolarHBondContact O-CG 3.46Å; V98-R102 PolarHBondContact O-N 3.13Å; V100-R102 PolarHBondContact O-N 3.05Å; R102-Q105 PolarHBondContact O-N 2.86Å; R102-E124 IonicContact CZ-OE1 3.43Å; R102-E124 IonicContact CZ-OE2 3.66Å; R102-E124 IonicContact NE-OE1 2.66Å; R102-E124 IonicContact NE-OE2 3.65Å; R102-E124 PolarHBondContact NE-OE2 3.49Å; R102-E124 IonicContact NH2-OE1 2.82Å; R102-E124 PolarHBondContact NH2-OE1 2.91Å; R102-E124 IonicContact NH2-OE2 2.78Å; R102-E124 PolarHBondContact NH2-OE2 2.72Å
103	R	97.8	Very high	98.3	Very high	137 Å²	137	35.7 Å²	35.7	52%	0.517	18%	0.178	S	C	.	.	H	α-helix	trans	-65.6	-39	176.7	-174.5	-170.8	67.6	-158.3	-5.8	111.9	S63 T99 V100 M101 Q105	S63-R103 PolarHBondContact O-NH1 2.81Å; S63-R103 PolarHBondContact O-NH2 2.88Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 PolarHBondContact O-N 2.78Å; V100-R103 PolarHBondContact O-N 3.14Å; M101-R103 PolarHBondContact O-N 3.02Å; R103-Q105 VanDerWaalsContact C-N 3.29Å
104	L	97.1	Very high	98.3	Very high	61 Å²	61	35.4 Å²	35.4	32%	0.319	18%	0.176	S	C	.	.	H	α-helix	trans	-82.7	-8.9	177.4	-63.1	178.7	0	0	0	112.8	V65 V100 M101 C106 E171	V65-L104 HydrophobicContact CB-CD1 4.49Å; V65-L104 HydrophobicContact CG2-CD1 3.54Å; V100-L104 HydrophobicContact CG1-CD1 3.86Å; V100-L104 HydrophobicContact CG1-CG 4.48Å; V100-L104 WeakPolarHBondContact O-CG 3.39Å; V100-L104 PolarHBondContact O-N 3.01Å; M101-L104 PolarHBondContact O-N 2.84Å; L104-C106 PolarHBondContact O-N 2.86Å; L104-E171 HydrophobicContact CD1-CG 4.29Å
105	Q	96.4	Very high	98.2	Very high	120 Å²	120	35.5 Å²	35.5	56%	0.561	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	27.7	-173.3	-49.2	-168.2	-82.9	0	0	113	M101 R102 R103 L129	M101-Q105 PolarHBondContact O-N 3.43Å; R102-Q105 PolarHBondContact O-N 2.86Å; R103-Q105 VanDerWaalsContact C-N 3.29Å; Q105-L129 HydrophobicContact CB-CD2 4.39Å; Q105-L129 WeakPolarHBondContact O-CD1 3.4Å
106	C	96.8	Very high	98.2	Very high	19 Å²	19	31.7 Å²	31.7	13%	0.128	16%	0.156	C	C	.	.			trans	-80.7	156.5	171.9	70.9	0	0	0	0	110.1	M101 L104 G108 E171	M101-C106 VanDerWaalsContact CG-O 3.23Å; M101-C106 WeakPolarHBondContact CG-O 3.42Å; M101-C106 PolarHBondContact O-N 3.19Å; L104-C106 PolarHBondContact O-N 2.86Å; C106-G108 PolarHBondContact SG-O 2.89Å; C106-E171 HydrophobicContact CB-CG 3.71Å
107	V	98	Very high	98.2	Very high	35 Å²	35	33.6 Å²	33.6	21%	0.212	17%	0.169	C	C	.	.	S	Bend	trans	-99.3	-7.3	-169.4	-62.9	0	0	0	0	113.7	L123 E124 Y125 L129 I209	V107-L123 WeakPolarHBondContact O-CA 3.38Å; V107-L123 WeakPolarHBondContact O-CB 3.44Å; V107-E124 WeakPolarHBondContact CA-O 3.32Å; V107-E124 PolarHBondContact O-N 2.93Å; V107-Y125 HydrophobicContact CB-CD2 3.87Å; V107-Y125 HydrophobicContact CB-CE2 4.27Å; V107-Y125 HydrophobicContact CG1-CD2 3.47Å; V107-Y125 VanDerWaalsContact CG1-CD2 3.47Å; V107-Y125 HydrophobicContact CG1-CE2 3.53Å; V107-Y125 HydrophobicContact CG1-CG 4.38Å; V107-L129 HydrophobicContact CG1-CD1 3.74Å; V107-I209 HydrophobicContact CB-CD1 3.89Å; V107-I209 HydrophobicContact CG2-CD1 3.55Å; V107-I209 HydrophobicContact CG2-CG1 3.81Å
108	G	98.4	Very high	98.2	Very high	5 Å²	5	35.4 Å²	35.4	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	152.1	177.3	0	0	0	0	0	109.8	C106 M122 E213	C106-G108 PolarHBondContact SG-O 2.89Å; G108-M122 VanDerWaalsContact CA-O 3.3Å; G108-M122 WeakPolarHBondContact CA-O 3.34Å; G108-E213 VanDerWaalsContact C-CD 3.46Å; G108-E213 VanDerWaalsContact C-OE1 3.26Å; G108-E213 WeakPolarHBondContact CA-OE1 3.4Å
109	L	98.8	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	142.3	172.2	-162.4	72.3	0	0	0	110.7	V65 M97 V100 M101 Q113 V114 M122 E213	V65-L109 HydrophobicContact CG2-CD1 4.08Å; M97-L109 HydrophobicContact CB-CD2 4.2Å; M97-L109 WeakPolarHBondContact CE-O 3.44Å; M97-L109 HydrophobicContact CG-CD2 4.5Å; M97-L109 WeakPolarHBondContact O-CD2 3.35Å; V100-L109 HydrophobicContact CB-CD2 4.04Å; V100-L109 HydrophobicContact CG1-CD2 3.89Å; M101-L109 HydrophobicContact CB-CB 4.16Å; M101-L109 HydrophobicContact CB-CD2 4.21Å; M101-L109 HydrophobicContact CG-CB 4.35Å; M101-L109 HydrophobicContact SD-CB 4.47Å; L109-Q113 HydrophobicContact CD1-CB 4.07Å; L109-V114 HydrophobicContact CD2-CG1 4.08Å; L109-M122 HydrophobicContact CB-CG 4.33Å; L109-M122 PolarHBondContact N-O 2.95Å; L109-M122 PolarHBondContact O-N 3.29Å; L109-E213 VanDerWaalsContact CA-OE2 3.32Å; L109-E213 WeakPolarHBondContact CA-OE2 3.49Å; L109-E213 PolarHBondContact N-OE2 2.78Å
110	S	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152	175.3	65.9	0	0	0	0	112.3	P112 Q113 I120 E213 H216	S110-P112 VanDerWaalsContact C-CD 3.48Å; S110-Q113 WeakPolarHBondContact O-CB 3.29Å; S110-Q113 PolarHBondContact O-N 2.66Å; S110-Q113 WeakPolarHBondContact OG-CG 3.35Å; S110-Q113 PolarHBondContact OG-OE1 3.03Å; S110-I120 WeakPolarHBondContact CA-O 3.42Å; S110-E213 PolarHBondContact N-OE2 3.17Å; S110-H216 WeakPolarHBondContact OG-CB 3.47Å
111	A	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37.5	-178.9	0	0	0	0	0	114	V93 M97 Q113 V114 G115 V116 L118 I120	V93-A111 HydrophobicContact CG1-CB 4.45Å; M97-A111 HydrophobicContact CE-CB 4.24Å; M97-A111 HydrophobicContact SD-CB 3.82Å; A111-Q113 PolarHBondContact O-N 2.79Å; A111-V114 CarbonylContact O-C 3.52Å; A111-V114 WeakPolarHBondContact O-CG2 3.44Å; A111-V114 PolarHBondContact O-N 3.41Å; A111-G115 PolarHBondContact O-N 2.93Å; A111-V116 CarbonylContact C-O 3.47Å; A111-V116 HydrophobicContact CB-CB 4.09Å; A111-V116 HydrophobicContact CB-CG1 4.28Å; A111-V116 WeakPolarHBondContact CB-O 3.45Å; A111-V116 PolarHBondContact O-N 3.22Å; A111-V116 VanDerWaalsContact O-O 3.11Å; A111-L118 WeakPolarHBondContact CB-O 3.4Å; A111-I120 HydrophobicContact CB-CB 3.83Å; A111-I120 HydrophobicContact CB-CG1 4.46Å; A111-I120 PolarHBondContact N-O 2.91Å
112	P	98.8	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55.4	-33.8	174	-30.5	38.2	0	0	0	113.1	V72 A77 S110 V114 G115 V116 L217	V72-P112 VanDerWaalsContact CG1-O 3.3Å; V72-P112 WeakPolarHBondContact CG1-O 3.46Å; V72-P112 HydrophobicContact CG2-CB 4.42Å; A77-P112 HydrophobicContact CB-CG 4.09Å; S110-P112 VanDerWaalsContact C-CD 3.48Å; P112-V114 PolarHBondContact O-N 3.18Å; P112-G115 PolarHBondContact O-N 3.43Å; P112-V116 VanDerWaalsContact CA-O 3.31Å; P112-V116 WeakPolarHBondContact CA-O 3.32Å; P112-L217 HydrophobicContact CG-CD2 4.11Å
113	Q	98.8	Very high	98.3	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-68.4	-17.9	178.8	-64.5	177.4	-75.7	0	0	113.7	V65 C66 L73 L109 S110 A111 S172 E213	V65-Q113 CarbonylContact C-O 3.57Å; V65-Q113 VanDerWaalsContact CA-O 3.28Å; V65-Q113 WeakPolarHBondContact CA-O 3.38Å; V65-Q113 HydrophobicContact CG1-CB 4.14Å; C66-Q113 PolarHBondContact N-O 3.35Å; L73-Q113 HydrophobicContact CD2-CB 4.48Å; L73-Q113 HydrophobicContact CD2-CG 3.97Å; L109-Q113 HydrophobicContact CD1-CB 4.07Å; S110-Q113 WeakPolarHBondContact O-CB 3.29Å; S110-Q113 PolarHBondContact O-N 2.66Å; S110-Q113 WeakPolarHBondContact OG-CG 3.35Å; S110-Q113 PolarHBondContact OG-OE1 3.03Å; A111-Q113 PolarHBondContact O-N 2.79Å; Q113-S172 WeakPolarHBondContact CG-OG 3.12Å; Q113-S172 PolarHBondContact NE2-OG 3.31Å; Q113-E213 PolarHBondContact OE1-OE2 3.16Å
114	V	98.6	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-105.1	21.4	170	-62.5	0	0	0	0	112	P61 Y62 M97 V100 L109 A111 P112 V116	P61-V114 WeakPolarHBondContact CA-O 3.34Å; P61-V114 HydrophobicContact CB-CG2 4.27Å; Y62-V114 WeakPolarHBondContact CD2-O 3.45Å; Y62-V114 PolarHBondContact N-O 3.49Å; M97-V114 HydrophobicContact CG-CG1 4.45Å; M97-V114 HydrophobicContact CG-CG2 3.68Å; M97-V114 HydrophobicContact SD-CG2 4.49Å; V100-V114 HydrophobicContact CG1-CG1 4.42Å; V100-V114 HydrophobicContact CG2-CG1 4.38Å; L109-V114 HydrophobicContact CD2-CG1 4.08Å; A111-V114 CarbonylContact O-C 3.52Å; A111-V114 WeakPolarHBondContact O-CG2 3.44Å; A111-V114 PolarHBondContact O-N 3.41Å; P112-V114 PolarHBondContact O-N 3.18Å; V114-V116 VanDerWaalsContact C-N 3.33Å; V114-V116 HydrophobicContact CG2-CG2 4.3Å; V114-V116 PolarHBondContact O-N 2.9Å
115	G	98.2	Very high	98.4	Very high	9 Å²	9	18.5 Å²	18.5	9%	0.093	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	11.1	176	0	0	0	0	0	114.9	P60 A111 P112	P60-G115 VanDerWaalsContact CB-O 3.27Å; P60-G115 WeakPolarHBondContact CB-O 3.32Å; P60-G115 WeakPolarHBondContact CG-O 3.42Å; A111-G115 PolarHBondContact O-N 2.93Å; P112-G115 PolarHBondContact O-N 3.43Å
116	V	98.6	Very high	98.4	Very high	12 Å²	12	14.6 Å²	14.6	7%	0.073	9%	0.085	C	C	.	.			trans	-104.9	111.9	-179.1	179	0	0	0	0	109.4	P60 P61 V93 A111 P112 V114 L118	P60-V116 HydrophobicContact CB-CG2 3.94Å; P61-V116 HydrophobicContact CB-CG2 3.78Å; V93-V116 HydrophobicContact CG1-CB 4.38Å; V93-V116 HydrophobicContact CG1-CG1 4.21Å; V93-V116 HydrophobicContact CG1-CG2 4.21Å; V93-V116 HydrophobicContact CG2-CG1 4.22Å; V93-V116 HydrophobicContact CG2-CG2 4.07Å; A111-V116 CarbonylContact C-O 3.47Å; A111-V116 HydrophobicContact CB-CB 4.09Å; A111-V116 HydrophobicContact CB-CG1 4.28Å; A111-V116 WeakPolarHBondContact CB-O 3.45Å; A111-V116 PolarHBondContact O-N 3.22Å; A111-V116 VanDerWaalsContact O-O 3.11Å; P112-V116 VanDerWaalsContact CA-O 3.31Å; P112-V116 WeakPolarHBondContact CA-O 3.32Å; V114-V116 VanDerWaalsContact C-N 3.33Å; V114-V116 HydrophobicContact CG2-CG2 4.3Å; V114-V116 PolarHBondContact O-N 2.9Å; V116-L118 HydrophobicContact CG1-CB 3.94Å; V116-L118 HydrophobicContact CG1-CD1 3.74Å; V116-L118 HydrophobicContact CG1-CG 3.73Å; V116-L118 PolarHBondContact O-N 2.99Å
117	P	98.3	Very high	98.4	Very high	69 Å²	69	20.4 Å²	20.4	45%	0.448	11%	0.105	S	C	.	.			trans	-80.7	50	-175.9	35.1	-37.5	0	0	0	112.3	V72 A78	V72-P117 HydrophobicContact CG2-CB 4.23Å; A78-P117 PolarHBondContact N-O 3.05Å
118	L	98.8	Very high	98.3	Very high	37 Å²	37	22.7 Å²	22.7	19%	0.194	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-115.1	149	178.8	-66	177.6	0	0	0	111.4	A78 V80 I90 A111 V116 I120	A78-L118 HydrophobicContact CB-CD2 4.35Å; A78-L118 CarbonylContact O-C 3.5Å; A78-L118 WeakPolarHBondContact O-CA 3.45Å; V80-L118 HydrophobicContact CG2-CB 3.97Å; V80-L118 HydrophobicContact CG2-CD1 4.3Å; V80-L118 HydrophobicContact CG2-CD2 4.42Å; V80-L118 HydrophobicContact CG2-CG 4.46Å; I90-L118 HydrophobicContact CD1-CD1 3.63Å; A111-L118 WeakPolarHBondContact CB-O 3.4Å; V116-L118 HydrophobicContact CG1-CB 3.94Å; V116-L118 HydrophobicContact CG1-CD1 3.74Å; V116-L118 HydrophobicContact CG1-CG 3.73Å; V116-L118 PolarHBondContact O-N 2.99Å; L118-I120 HydrophobicContact CB-CD1 4.15Å; L118-I120 HydrophobicContact CB-CG1 4.17Å; L118-I120 HydrophobicContact CD1-CD1 4.42Å; L118-I120 PolarHBondContact O-N 3.07Å
119	R	98.8	Very high	98.2	Very high	33 Å²	33	23.9 Å²	23.9	13%	0.125	12%	0.121	C	C	.	.	S	Bend	trans	-75.5	73	178.7	-67.7	-174.3	77.6	80.8	-7	111.2	A77 A78 L152 N153 L217 D218	A77-R119 HydrophobicContact CB-CG 3.88Å; A77-R119 VanDerWaalsContact O-CG 3.27Å; A77-R119 WeakPolarHBondContact O-CG 3.35Å; A78-R119 WeakPolarHBondContact O-CG 3.4Å; A78-R119 PolarHBondContact O-N 3.45Å; R119-L152 CarbonylContact O-C 3.46Å; R119-L152 WeakPolarHBondContact O-CA 3.4Å; R119-N153 PolarHBondContact O-N 3.04Å; R119-L217 HydrophobicContact CB-CD1 4.14Å; R119-L217 PolarHBondContact NH1-O 3.46Å; R119-D218 IonicContact CZ-OD1 3.78Å; R119-D218 IonicContact NH1-OD1 3.84Å; R119-D218 PolarHBondContact NH1-OD1 3.16Å; R119-D218 IonicContact NH2-OD1 3Å; R119-D218 IonicContact NH2-OD2 3.69Å
120	I	98.9	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.8	177.9	-53.2	175	0	0	0	108	V80 I90 V93 L94 M97 S110 A111 L118 I150 F151 L152	V80-I120 HydrophobicContact CG2-CD1 3.91Å; V80-I120 HydrophobicContact CG2-CG1 3.66Å; I90-I120 HydrophobicContact CG2-CD1 4.37Å; V93-I120 HydrophobicContact CG1-CD1 4.24Å; L94-I120 HydrophobicContact CD2-CD1 4.47Å; L94-I120 HydrophobicContact CD2-CG2 3.62Å; M97-I120 HydrophobicContact CE-CG2 4.22Å; M97-I120 HydrophobicContact SD-CB 4.48Å; M97-I120 HydrophobicContact SD-CG2 3.99Å; S110-I120 WeakPolarHBondContact CA-O 3.42Å; A111-I120 HydrophobicContact CB-CB 3.83Å; A111-I120 HydrophobicContact CB-CG1 4.46Å; A111-I120 PolarHBondContact N-O 2.91Å; L118-I120 HydrophobicContact CB-CD1 4.15Å; L118-I120 HydrophobicContact CB-CG1 4.17Å; L118-I120 HydrophobicContact CD1-CD1 4.42Å; L118-I120 PolarHBondContact O-N 3.07Å; I120-I150 HydrophobicContact CG2-CG2 4.44Å; I120-F151 WeakPolarHBondContact CA-O 3.4Å; I120-L152 HydrophobicContact CD1-CD2 4.09Å; I120-L152 HydrophobicContact CG1-CD2 4.09Å; I120-L152 HydrophobicContact CG1-CG 4.07Å; I120-L152 HydrophobicContact CG2-CG 4.29Å
121	L	98.8	Very high	98	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.1	169.7	63	81.6	0	0	0	110.8	F151 P154 L210 E213 M214 L217	L121-F151 HydrophobicContact CD1-CB 3.9Å; L121-F151 HydrophobicContact CD1-CD2 3.75Å; L121-F151 HydrophobicContact CD1-CG 4.24Å; L121-F151 HydrophobicContact CG-CB 4.26Å; L121-F151 PolarHBondContact N-O 3.16Å; L121-F151 PolarHBondContact O-N 3.28Å; L121-P154 HydrophobicContact CD2-CB 4.23Å; L121-P154 HydrophobicContact CD2-CG 3.66Å; L121-P154 HydrophobicContact CG-CG 3.99Å; L121-L210 HydrophobicContact CD1-CD2 4.2Å; L121-E213 HydrophobicContact CB-CB 3.85Å; L121-E213 HydrophobicContact CD2-CB 3.98Å; L121-E213 HydrophobicContact CG-CB 4.35Å; L121-M214 HydrophobicContact CD2-CB 4.45Å; L121-L217 HydrophobicContact CB-CD1 4.45Å; L121-L217 HydrophobicContact CD2-CD1 3.91Å; L121-L217 HydrophobicContact CG-CD1 4.38Å
122	M	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	155.9	171.4	61.1	-176.7	60	0	0	111.2	L94 M97 V98 M101 G108 L109 L148 R149 I150	L94-M122 HydrophobicContact CD2-CE 4.41Å; M97-M122 HydrophobicContact CB-CE 3.28Å; M97-M122 HydrophobicContact CB-SD 3.63Å; M97-M122 HydrophobicContact CE-CE 3.86Å; M97-M122 HydrophobicContact CE-CG 4.16Å; M97-M122 HydrophobicContact CE-SD 4.42Å; M97-M122 HydrophobicContact CG-CE 4.24Å; M97-M122 HydrophobicContact SD-CE 4.02Å; V98-M122 HydrophobicContact CB-SD 4.35Å; V98-M122 HydrophobicContact CG2-CE 3.85Å; V98-M122 HydrophobicContact CG2-SD 3.63Å; M101-M122 HydrophobicContact CE-CG 4.39Å; M101-M122 HydrophobicContact CE-SD 4.21Å; M101-M122 HydrophobicContact SD-CG 3.94Å; M101-M122 HydrophobicContact SD-SD 4.31Å; G108-M122 VanDerWaalsContact CA-O 3.3Å; G108-M122 WeakPolarHBondContact CA-O 3.34Å; L109-M122 HydrophobicContact CB-CG 4.33Å; L109-M122 PolarHBondContact N-O 2.95Å; L109-M122 PolarHBondContact O-N 3.29Å; M122-L148 HydrophobicContact CB-CD1 4.32Å; M122-L148 HydrophobicContact SD-CD1 4.45Å; M122-R149 CarbonylContact C-O 3.55Å; M122-R149 WeakPolarHBondContact CA-O 3.41Å; M122-R149 WeakPolarHBondContact CB-O 3.18Å; M122-I150 HydrophobicContact CB-CG1 4.03Å; M122-I150 HydrophobicContact CE-CD1 4.24Å; M122-I150 HydrophobicContact CE-CG1 4.28Å
123	L	98.4	Very high	97.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.7	171.1	70.9	133.9	0	0	0	111	V107 Q146 L148 R149 F151 W200 I209 L210	V107-L123 WeakPolarHBondContact O-CA 3.38Å; V107-L123 WeakPolarHBondContact O-CB 3.44Å; L123-Q146 HydrophobicContact CD1-CB 4.25Å; L123-Q146 HydrophobicContact CD1-CG 4.38Å; L123-L148 WeakPolarHBondContact O-CA 3.17Å; L123-R149 HydrophobicContact CD2-CB 4.04Å; L123-R149 HydrophobicContact CG-CB 4.26Å; L123-R149 PolarHBondContact N-O 2.64Å; L123-R149 PolarHBondContact O-N 3.4Å; L123-F151 HydrophobicContact CD2-CE2 4.12Å; L123-W200 HydrophobicContact CD1-CH2 3.67Å; L123-W200 HydrophobicContact CD1-CZ3 3.74Å; L123-W200 HydrophobicContact CD2-CZ3 3.73Å; L123-W200 HydrophobicContact CG-CZ3 4.32Å; L123-I209 HydrophobicContact CB-CG2 3.86Å; L123-L210 HydrophobicContact CD2-CD2 3.58Å; L123-L210 HydrophobicContact CD2-CG 4.26Å
124	E	98.5	Very high	97.6	Very high	29 Å²	29	36 Å²	36	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	134.7	172.4	-172.9	174.5	-154.2	0	0	108	M101 R102 V107 L148	M101-E124 HydrophobicContact CE-CB 3.55Å; M101-E124 HydrophobicContact SD-CB 4.44Å; R102-E124 IonicContact CZ-OE1 3.43Å; R102-E124 IonicContact CZ-OE2 3.66Å; R102-E124 IonicContact NE-OE1 2.66Å; R102-E124 IonicContact NE-OE2 3.65Å; R102-E124 PolarHBondContact NE-OE2 3.49Å; R102-E124 IonicContact NH2-OE1 2.82Å; R102-E124 PolarHBondContact NH2-OE1 2.91Å; R102-E124 IonicContact NH2-OE2 2.78Å; R102-E124 PolarHBondContact NH2-OE2 2.72Å; V107-E124 WeakPolarHBondContact CA-O 3.32Å; V107-E124 PolarHBondContact O-N 2.93Å; E124-L148 HydrophobicContact CB-CB 4.45Å; E124-L148 HydrophobicContact CB-CD1 4.26Å; E124-L148 HydrophobicContact CG-CB 4.33Å
125	Y	97.9	Very high	97.5	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	84.9	174.9	-154.7	-71.2	0	0	0	109	V107 L129 F130 L143 I145 Q146 W205 I209	V107-Y125 HydrophobicContact CB-CD2 3.87Å; V107-Y125 HydrophobicContact CB-CE2 4.27Å; V107-Y125 HydrophobicContact CG1-CD2 3.47Å; V107-Y125 VanDerWaalsContact CG1-CD2 3.47Å; V107-Y125 HydrophobicContact CG1-CE2 3.53Å; V107-Y125 HydrophobicContact CG1-CG 4.38Å; Y125-L129 HydrophobicContact CD1-CB 4.5Å; Y125-L129 HydrophobicContact CE1-CB 3.97Å; Y125-F130 HydrophobicContact CD1-CB 4.19Å; Y125-F130 HydrophobicContact CE1-CB 3.88Å; Y125-F130 HydrophobicContact CE1-CD2 4.48Å; Y125-L143 HydrophobicContact CE1-CD1 4.26Å; Y125-L143 HydrophobicContact CE1-CD2 3.73Å; Y125-L143 HydrophobicContact CE1-CG 4.04Å; Y125-L143 HydrophobicContact CE2-CD1 3.85Å; Y125-L143 HydrophobicContact CE2-CG 4.46Å; Y125-L143 WeakPolarHBondContact OH-CD2 3.26Å; Y125-I145 WeakPolarHBondContact O-CA 3.43Å; Y125-I145 WeakPolarHBondContact O-CG2 3.38Å; Y125-Q146 CarbonylContact C-O 3.55Å; Y125-Q146 PolarHBondContact N-O 2.88Å; Y125-Q146 PolarHBondContact O-N 3.04Å; Y125-W205 AromaticContact CE2-CD1 3.86Å; Y125-W205 AromaticContact CE2-NE1 3.96Å; Y125-I209 HydrophobicContact CD2-CD1 4.09Å
126	P	97.3	Very high	97.4	Very high	38 Å²	38	43.7 Å²	43.7	25%	0.247	25%	0.245	C	C	.	.			trans	-77	164.2	-172.5	32.4	-36	0	0	0	112.7	N128 L129 F130	P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 VanDerWaalsContact CB-OD1 3.31Å; P126-N128 WeakPolarHBondContact CB-OD1 3.44Å; P126-N128 WeakPolarHBondContact CG-OD1 3.35Å; P126-N128 PolarHBondContact O-N 3.14Å; P126-L129 HydrophobicContact CG-CB 4.5Å; P126-L129 HydrophobicContact CG-CD1 4.21Å; P126-L129 HydrophobicContact CG-CG 4.06Å; P126-L129 PolarHBondContact O-N 2.8Å; P126-F130 PolarHBondContact O-N 2.93Å; P126-F130 VanDerWaalsContact O-N 3.16Å
127	W	96.6	Very high	97.3	Very high	140 Å²	140	43.7 Å²	43.7	53%	0.53	25%	0.246	S	C	.	.	H	α-helix	trans	-53.7	-43.2	-177.3	176.8	-92.2	0	0	0	113.5	L129 F130 E131 I145	W127-L129 VanDerWaalsContact C-N 3.3Å; W127-L129 PolarHBondContact O-N 2.83Å; W127-F130 HydrophobicContact CE3-CD1 4.34Å; W127-F130 HydrophobicContact CZ3-CD1 4.18Å; W127-F130 HydrophobicContact CZ3-CE1 4.32Å; W127-F130 WeakPolarHBondContact O-CB 3.2Å; W127-F130 PolarHBondContact O-N 3.48Å; W127-F130 VanDerWaalsContact O-N 3.12Å; W127-E131 PolarHBondContact NE1-OE2 3.48Å; W127-E131 WeakPolarHBondContact O-CB 3.42Å; W127-E131 PolarHBondContact O-N 3.47Å; W127-I145 HydrophobicContact CE3-CD1 3.4Å; W127-I145 VanDerWaalsContact CE3-CD1 3.4Å; W127-I145 HydrophobicContact CE3-CG1 4.31Å; W127-I145 HydrophobicContact CZ3-CD1 3.72Å
128	N	95.8	Very high	97.2	Very high	84 Å²	84	42.6 Å²	42.6	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-34.2	-177.2	63.6	-55.3	0	0	0	113.2	P126 A132	P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 VanDerWaalsContact CB-OD1 3.31Å; P126-N128 WeakPolarHBondContact CB-OD1 3.44Å; P126-N128 WeakPolarHBondContact CG-OD1 3.35Å; P126-N128 PolarHBondContact O-N 3.14Å; N128-A132 PolarHBondContact O-N 3.2Å
129	L	95.7	Very high	97	Very high	29 Å²	29	49 Å²	49	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-74.5	-40.9	173.6	-64.2	-171.6	0	0	0	110.7	Q105 V107 Y125 P126 W127 E131 A132 V133	Q105-L129 HydrophobicContact CB-CD2 4.39Å; Q105-L129 WeakPolarHBondContact O-CD1 3.4Å; V107-L129 HydrophobicContact CG1-CD1 3.74Å; Y125-L129 HydrophobicContact CD1-CB 4.5Å; Y125-L129 HydrophobicContact CE1-CB 3.97Å; P126-L129 HydrophobicContact CG-CB 4.5Å; P126-L129 HydrophobicContact CG-CD1 4.21Å; P126-L129 HydrophobicContact CG-CG 4.06Å; P126-L129 PolarHBondContact O-N 2.8Å; W127-L129 VanDerWaalsContact C-N 3.3Å; W127-L129 PolarHBondContact O-N 2.83Å; L129-E131 PolarHBondContact O-N 2.78Å; L129-A132 PolarHBondContact O-N 2.85Å; L129-V133 WeakPolarHBondContact O-CG2 3.25Å
130	F	96.8	Very high	96.8	Very high	32 Å²	32	51.5 Å²	51.5	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-46.1	176.8	-178.8	-93.5	0	0	0	112.1	Y125 P126 W127 A132 V133 R138 L143 I145	Y125-F130 HydrophobicContact CD1-CB 4.19Å; Y125-F130 HydrophobicContact CE1-CB 3.88Å; Y125-F130 HydrophobicContact CE1-CD2 4.48Å; P126-F130 PolarHBondContact O-N 2.93Å; P126-F130 VanDerWaalsContact O-N 3.16Å; W127-F130 HydrophobicContact CE3-CD1 4.34Å; W127-F130 HydrophobicContact CZ3-CD1 4.18Å; W127-F130 HydrophobicContact CZ3-CE1 4.32Å; W127-F130 WeakPolarHBondContact O-CB 3.2Å; W127-F130 PolarHBondContact O-N 3.48Å; W127-F130 VanDerWaalsContact O-N 3.12Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 3.14Å; F130-V133 PolarHBondContact O-N 3.22Å; F130-R138 HydrophobicContact CE2-CG 4.38Å; F130-R138 PolarHBondContact O-NE 3.46Å; F130-R138 PolarHBondContact O-NH2 2.98Å; F130-L143 HydrophobicContact CD2-CD2 3.55Å; F130-L143 HydrophobicContact CD2-CG 4.17Å; F130-L143 HydrophobicContact CE2-CB 4.47Å; F130-L143 HydrophobicContact CE2-CD2 4.05Å; F130-L143 HydrophobicContact CE2-CG 4.49Å; F130-L143 HydrophobicContact CG-CD2 4.37Å; F130-I145 HydrophobicContact CB-CG1 4.03Å; F130-I145 HydrophobicContact CD1-CD1 4.33Å; F130-I145 HydrophobicContact CD1-CG1 4.18Å; F130-I145 HydrophobicContact CD2-CG1 4.06Å; F130-I145 HydrophobicContact CG-CD1 4.47Å; F130-I145 HydrophobicContact CG-CG1 3.84Å
131	E	96.6	Very high	96.6	Very high	114 Å²	114	54.2 Å²	54.2	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-32.6	-179.8	-174	171	-156.1	0	0	112.8	W127 L129 V133 R138	W127-E131 PolarHBondContact NE1-OE2 3.48Å; W127-E131 WeakPolarHBondContact O-CB 3.42Å; W127-E131 PolarHBondContact O-N 3.47Å; L129-E131 PolarHBondContact O-N 2.78Å; E131-V133 PolarHBondContact O-N 2.79Å; E131-R138 VanDerWaalsContact C-NH2 3.33Å; E131-R138 VanDerWaalsContact CA-NH2 3.32Å; E131-R138 PolarHBondContact O-NH2 2.89Å
132	A	96	Very high	96.5	Very high	46 Å²	46	55.8 Å²	55.8	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-68.1	-21.2	178.3	0	0	0	0	0	113.7	W10 N128 L129 F130	W10-A132 HydrophobicContact CH2-CB 4.03Å; W10-A132 HydrophobicContact CZ3-CB 4Å; N128-A132 PolarHBondContact O-N 3.2Å; L129-A132 PolarHBondContact O-N 2.85Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 3.14Å
133	V	95.3	Very high	96.4	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	-82.9	135.4	178.4	-172.2	0	0	0	0	110.2	W10 L129 F130 E131 A137 R138 L143	W10-V133 HydrophobicContact CH2-CG2 4Å; W10-V133 HydrophobicContact CZ2-CG2 3.82Å; L129-V133 WeakPolarHBondContact O-CG2 3.25Å; F130-V133 PolarHBondContact O-N 3.22Å; E131-V133 PolarHBondContact O-N 2.79Å; V133-A137 HydrophobicContact CG1-CB 3.76Å; V133-R138 HydrophobicContact CB-CG 3.86Å; V133-R138 HydrophobicContact CG1-CG 3.83Å; V133-R138 PolarHBondContact O-NE 3.4Å; V133-R138 PolarHBondContact O-NH2 3Å; V133-L143 HydrophobicContact CB-CD2 4.14Å; V133-L143 HydrophobicContact CG1-CD2 4.4Å; V133-L143 HydrophobicContact CG2-CD2 3.86Å
134	P	97.1	Very high	96.3	Very high	60 Å²	60	58.8 Å²	58.8	39%	0.39	34%	0.34	S	S	.	.			trans	-61.3	143.3	174.2	-25	34.8	0	0	0	113	A136 A137 R138	P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.5Å; P134-A137 WeakPolarHBondContact O-CB 3.36Å; P134-A137 PolarHBondContact O-N 2.66Å; P134-R138 PolarHBondContact O-N 3.38Å
135	P	96.5	Very high	96.2	Very high	95 Å²	95	61 Å²	61	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-53.2	-41.4	-176.1	-29.8	35.7	0	0	0	115.2	A137 R138 Q139	P135-A137 VanDerWaalsContact C-N 3.3Å; P135-A137 PolarHBondContact O-N 3.08Å; P135-R138 WeakPolarHBondContact O-CB 3.28Å; P135-R138 PolarHBondContact O-N 3.18Å; P135-Q139 PolarHBondContact O-N 3.29Å
136	A	96.6	Very high	96.2	Very high	75 Å²	75	61.2 Å²	61.2	62%	0.62	35%	0.354	S	S	*	.	H	α-helix	trans	-61.3	-38.9	177.5	0	0	0	0	0	112.3	P134 Q139 A140	P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.5Å; A136-Q139 PolarHBondContact O-N 2.86Å; A136-A140 WeakPolarHBondContact O-CB 3.35Å; A136-A140 PolarHBondContact O-N 3.02Å
137	A	95.2	Very high	96.3	Very high	12 Å²	12	63 Å²	63	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-71.3	-37.4	176.5	0	0	0	0	0	111.8	L8 V133 P134 P135 Q139 A140 L141	L8-A137 HydrophobicContact CD1-CB 3.91Å; V133-A137 HydrophobicContact CG1-CB 3.76Å; P134-A137 WeakPolarHBondContact O-CB 3.36Å; P134-A137 PolarHBondContact O-N 2.66Å; P135-A137 VanDerWaalsContact C-N 3.3Å; P135-A137 PolarHBondContact O-N 3.08Å; A137-Q139 VanDerWaalsContact C-N 3.31Å; A137-Q139 PolarHBondContact O-N 3.41Å; A137-A140 PolarHBondContact O-N 3.35Å; A137-L141 WeakPolarHBondContact O-CB 3.43Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.44Å
138	R	95.9	Very high	96.4	Very high	46 Å²	46	59.1 Å²	59.1	17%	0.174	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-46.7	173.8	-58.9	-179.9	-160.9	165.4	5.6	111	F130 E131 V133 P134 P135 G142 L143	F130-R138 HydrophobicContact CE2-CG 4.38Å; F130-R138 PolarHBondContact O-NE 3.46Å; F130-R138 PolarHBondContact O-NH2 2.98Å; E131-R138 VanDerWaalsContact C-NH2 3.33Å; E131-R138 VanDerWaalsContact CA-NH2 3.32Å; E131-R138 PolarHBondContact O-NH2 2.89Å; V133-R138 HydrophobicContact CB-CG 3.86Å; V133-R138 HydrophobicContact CG1-CG 3.83Å; V133-R138 PolarHBondContact O-NE 3.4Å; V133-R138 PolarHBondContact O-NH2 3Å; P134-R138 PolarHBondContact O-N 3.38Å; P135-R138 WeakPolarHBondContact O-CB 3.28Å; P135-R138 PolarHBondContact O-N 3.18Å; R138-G142 PolarHBondContact O-N 2.73Å; R138-G142 VanDerWaalsContact O-N 3.16Å; R138-L143 HydrophobicContact CB-CB 4.07Å; R138-L143 HydrophobicContact CB-CD2 4.35Å; R138-L143 HydrophobicContact CG-CD2 3.9Å; R138-L143 WeakPolarHBondContact O-CB 3.38Å; R138-L143 PolarHBondContact O-N 3.37Å
139	Q	95.1	Very high	96.5	Very high	171 Å²	171	58.9 Å²	58.9	80%	0.799	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-48.6	178.3	-172.7	179.9	19.3	0	0	111.6	P135 A136 A137 L141 G142	P135-Q139 PolarHBondContact O-N 3.29Å; A136-Q139 PolarHBondContact O-N 2.86Å; A137-Q139 VanDerWaalsContact C-N 3.31Å; A137-Q139 PolarHBondContact O-N 3.41Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.17Å; Q139-G142 PolarHBondContact O-N 3.05Å
140	A	94.8	Very high	96.6	Very high	86 Å²	86	58.2 Å²	58.2	71%	0.711	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-36.5	-178.4	0	0	0	0	0	113.1	A136 A137	A136-A140 WeakPolarHBondContact O-CB 3.35Å; A136-A140 PolarHBondContact O-N 3.02Å; A137-A140 PolarHBondContact O-N 3.35Å
141	L	95.2	Very high	96.7	Very high	56 Å²	56	56.9 Å²	56.9	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-85.7	-7.8	179.8	-63.9	175.6	0	0	0	113.4	A137 Q139 L143 W205	A137-L141 WeakPolarHBondContact O-CB 3.43Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.44Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.17Å; L141-L143 VanDerWaalsContact C-N 3.25Å; L141-L143 PolarHBondContact O-N 2.8Å; L141-W205 HydrophobicContact CB-CE3 4.09Å; L141-W205 HydrophobicContact CD1-CE3 4.22Å; L141-W205 HydrophobicContact CD1-CZ3 4.29Å; L141-W205 HydrophobicContact CD2-CE3 3.96Å; L141-W205 HydrophobicContact CD2-CZ3 3.85Å; L141-W205 HydrophobicContact CG-CE3 4.32Å; L141-W205 PolarHBondContact O-N 3.13Å
142	G	96.6	Very high	96.8	Very high	35 Å²	35	51.5 Å²	51.5	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	40.6	-169.3	0	0	0	0	0	111.7	R138 Q139 W205	R138-G142 PolarHBondContact O-N 2.73Å; R138-G142 VanDerWaalsContact O-N 3.16Å; Q139-G142 PolarHBondContact O-N 3.05Å; G142-W205 PolarHBondContact O-N 3.32Å
143	L	96.5	Very high	97	Very high	17 Å²	17	51 Å²	51	9%	0.089	30%	0.304	C	S	.	.			trans	-72.5	137.1	-179.2	-156.3	90	0	0	0	109.9	Y125 F130 V133 R138 L141 W205	Y125-L143 HydrophobicContact CE1-CD1 4.26Å; Y125-L143 HydrophobicContact CE1-CD2 3.73Å; Y125-L143 HydrophobicContact CE1-CG 4.04Å; Y125-L143 HydrophobicContact CE2-CD1 3.85Å; Y125-L143 HydrophobicContact CE2-CG 4.46Å; Y125-L143 WeakPolarHBondContact OH-CD2 3.26Å; F130-L143 HydrophobicContact CD2-CD2 3.55Å; F130-L143 HydrophobicContact CD2-CG 4.17Å; F130-L143 HydrophobicContact CE2-CB 4.47Å; F130-L143 HydrophobicContact CE2-CD2 4.05Å; F130-L143 HydrophobicContact CE2-CG 4.49Å; F130-L143 HydrophobicContact CG-CD2 4.37Å; V133-L143 HydrophobicContact CB-CD2 4.14Å; V133-L143 HydrophobicContact CG1-CD2 4.4Å; V133-L143 HydrophobicContact CG2-CD2 3.86Å; R138-L143 HydrophobicContact CB-CB 4.07Å; R138-L143 HydrophobicContact CB-CD2 4.35Å; R138-L143 HydrophobicContact CG-CD2 3.9Å; R138-L143 WeakPolarHBondContact O-CB 3.38Å; R138-L143 PolarHBondContact O-N 3.37Å; L141-L143 VanDerWaalsContact C-N 3.25Å; L141-L143 PolarHBondContact O-N 2.8Å; L143-W205 HydrophobicContact CD1-CB 3.82Å; L143-W205 HydrophobicContact CD1-CD2 4.28Å; L143-W205 HydrophobicContact CD1-CG 3.59Å
144	S	95.9	Very high	97.1	Very high	46 Å²	46	50.7 Å²	50.7	32%	0.322	30%	0.302	S	S	.	.			trans	-147	154.4	173.8	51.8	0	0	0	0	110	Q146 P206	S144-Q146 PolarHBondContact OG-NE2 2.9Å; S144-P206 WeakPolarHBondContact OG-CG 3.37Å
145	I	97.8	Very high	97.2	Very high	77 Å²	77	54.7 Å²	54.7	40%	0.395	32%	0.316	S	S	.	.			trans	-67	134.3	174.8	-61.1	150.9	0	0	0	108.2	Y125 W127 F130	Y125-I145 WeakPolarHBondContact O-CA 3.43Å; Y125-I145 WeakPolarHBondContact O-CG2 3.38Å; W127-I145 HydrophobicContact CE3-CD1 3.4Å; W127-I145 VanDerWaalsContact CE3-CD1 3.4Å; W127-I145 HydrophobicContact CE3-CG1 4.31Å; W127-I145 HydrophobicContact CZ3-CD1 3.72Å; F130-I145 HydrophobicContact CB-CG1 4.03Å; F130-I145 HydrophobicContact CD1-CD1 4.33Å; F130-I145 HydrophobicContact CD1-CG1 4.18Å; F130-I145 HydrophobicContact CD2-CG1 4.06Å; F130-I145 HydrophobicContact CG-CD1 4.47Å; F130-I145 HydrophobicContact CG-CG1 3.84Å
146	Q	97.8	Very high	97.3	Very high	20 Å²	20	52.8 Å²	52.8	9%	0.093	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.6	177.7	-62.4	-57.7	-36.4	0	0	109.2	L123 Y125 S144 W200 P206	L123-Q146 HydrophobicContact CD1-CB 4.25Å; L123-Q146 HydrophobicContact CD1-CG 4.38Å; Y125-Q146 CarbonylContact C-O 3.55Å; Y125-Q146 PolarHBondContact N-O 2.88Å; Y125-Q146 PolarHBondContact O-N 3.04Å; S144-Q146 PolarHBondContact OG-NE2 2.9Å; Q146-W200 VanDerWaalsContact OE1-CZ2 3.25Å; Q146-P206 HydrophobicContact CG-CB 4.17Å; Q146-P206 HydrophobicContact CG-CG 3.89Å
147	P	97.9	Very high	97.4	Very high	76 Å²	76	56.1 Å²	56.1	49%	0.494	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	165.9	168.7	31.6	-35.2	0	0	0	109.6	R149	P147-R149 PolarHBondContact O-N 2.91Å
148	L	98.6	Very high	97.6	Very high	58 Å²	58	58.4 Å²	58.4	30%	0.304	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	123.6	170.6	178	64.9	0	0	0	109.6	V98 M101 M122 L123 E124 I150	V98-L148 HydrophobicContact CG1-CD2 4.38Å; V98-L148 HydrophobicContact CG2-CD1 4.3Å; V98-L148 HydrophobicContact CG2-CD2 3.83Å; M101-L148 HydrophobicContact CE-CD1 3.66Å; M122-L148 HydrophobicContact CB-CD1 4.32Å; M122-L148 HydrophobicContact SD-CD1 4.45Å; L123-L148 WeakPolarHBondContact O-CA 3.17Å; E124-L148 HydrophobicContact CB-CB 4.45Å; E124-L148 HydrophobicContact CB-CD1 4.26Å; E124-L148 HydrophobicContact CG-CB 4.33Å; L148-I150 HydrophobicContact CD1-CG1 4.33Å; L148-I150 HydrophobicContact CD2-CD1 4.34Å; L148-I150 HydrophobicContact CG-CG1 4.26Å
149	R	98.5	Very high	97.7	Very high	79 Å²	79	59.5 Å²	59.5	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.4	172.1	-63.5	177.1	-177.7	-77.7	-0.3	108.4	M122 L123 P147 F151	M122-R149 CarbonylContact C-O 3.55Å; M122-R149 WeakPolarHBondContact CA-O 3.41Å; M122-R149 WeakPolarHBondContact CB-O 3.18Å; L123-R149 HydrophobicContact CD2-CB 4.04Å; L123-R149 HydrophobicContact CG-CB 4.26Å; L123-R149 PolarHBondContact N-O 2.64Å; L123-R149 PolarHBondContact O-N 3.4Å; P147-R149 PolarHBondContact O-N 2.91Å; R149-F151 HydrophobicContact CB-CD2 4.5Å; R149-F151 HydrophobicContact CB-CE2 3.79Å; R149-F151 HydrophobicContact CB-CZ 4.48Å
150	I	98.8	Very high	97.8	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.077	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133	178.7	-57.3	178.6	0	0	0	107.1	L94 I120 M122 L148 L152 E193	L94-I150 HydrophobicContact CD2-CG2 3.75Å; I120-I150 HydrophobicContact CG2-CG2 4.44Å; M122-I150 HydrophobicContact CB-CG1 4.03Å; M122-I150 HydrophobicContact CE-CD1 4.24Å; M122-I150 HydrophobicContact CE-CG1 4.28Å; L148-I150 HydrophobicContact CD1-CG1 4.33Å; L148-I150 HydrophobicContact CD2-CD1 4.34Å; L148-I150 HydrophobicContact CG-CG1 4.26Å; I150-L152 HydrophobicContact CG2-CD1 3.86Å; I150-E193 HydrophobicContact CD1-CB 4.27Å
151	F	98.8	Very high	97.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.7	174.9	-63	-91.4	0	0	0	109.6	I120 L121 L123 R149 P154 V188 L191 V198 W200 L210	I120-F151 WeakPolarHBondContact CA-O 3.4Å; L121-F151 HydrophobicContact CD1-CB 3.9Å; L121-F151 HydrophobicContact CD1-CD2 3.75Å; L121-F151 HydrophobicContact CD1-CG 4.24Å; L121-F151 HydrophobicContact CG-CB 4.26Å; L121-F151 PolarHBondContact N-O 3.16Å; L121-F151 PolarHBondContact O-N 3.28Å; L123-F151 HydrophobicContact CD2-CE2 4.12Å; R149-F151 HydrophobicContact CB-CD2 4.5Å; R149-F151 HydrophobicContact CB-CE2 3.79Å; R149-F151 HydrophobicContact CB-CZ 4.48Å; F151-P154 HydrophobicContact CB-CB 3.98Å; F151-P154 HydrophobicContact CB-CG 4.44Å; F151-V188 HydrophobicContact CD1-CG1 4.28Å; F151-V188 HydrophobicContact CD1-CG2 4.04Å; F151-V188 HydrophobicContact CE1-CG1 3.69Å; F151-V188 HydrophobicContact CE1-CG2 4.26Å; F151-V188 HydrophobicContact CE2-CG1 3.96Å; F151-V188 HydrophobicContact CG-CG2 4.24Å; F151-V188 HydrophobicContact CZ-CG1 3.51Å; F151-L191 CarbonylContact C-O 3.5Å; F151-L191 WeakPolarHBondContact CA-O 3.42Å; F151-V198 HydrophobicContact CD1-CG2 3.84Å; F151-V198 HydrophobicContact CE1-CG2 3.7Å; F151-W200 HydrophobicContact CE2-CE3 4.12Å; F151-W200 HydrophobicContact CZ-CB 4.05Å; F151-W200 AromaticContact CZ-CE3 3.99Å; F151-W200 HydrophobicContact CZ-CE3 3.99Å; F151-L210 HydrophobicContact CE2-CD2 4.38Å
152	L	98.8	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.7	169.6	-60.4	90.9	0	0	0	108.3	V80 I85 I90 R119 I120 I150 P154 L191 N192	V80-L152 HydrophobicContact CB-CD2 4.44Å; V80-L152 HydrophobicContact CG1-CD2 4.1Å; V80-L152 HydrophobicContact CG2-CD2 4.3Å; I85-L152 HydrophobicContact CD1-CB 4.42Å; I85-L152 HydrophobicContact CD1-CD2 4.14Å; I85-L152 HydrophobicContact CG1-CD2 3.95Å; I85-L152 HydrophobicContact CG2-CD2 4.07Å; I90-L152 HydrophobicContact CG2-CD2 3.81Å; R119-L152 CarbonylContact O-C 3.46Å; R119-L152 WeakPolarHBondContact O-CA 3.4Å; I120-L152 HydrophobicContact CD1-CD2 4.09Å; I120-L152 HydrophobicContact CG1-CD2 4.09Å; I120-L152 HydrophobicContact CG1-CG 4.07Å; I120-L152 HydrophobicContact CG2-CG 4.29Å; I150-L152 HydrophobicContact CG2-CD1 3.86Å; L152-P154 VanDerWaalsContact C-CD 3.44Å; L152-P154 VanDerWaalsContact C-N 3.33Å; L152-L191 HydrophobicContact CB-CB 4.31Å; L152-L191 WeakPolarHBondContact CD1-O 3.32Å; L152-L191 PolarHBondContact N-O 3.46Å; L152-L191 PolarHBondContact O-N 3.12Å; L152-N192 WeakPolarHBondContact CD1-O 3.4Å
153	N	98.8	Very high	97.8	Very high	36 Å²	36	54.2 Å²	54.2	19%	0.193	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	47.8	49.1	-172.2	-57.5	-28	0	0	0	113.4	A79 V80 R119	A79-N153 VanDerWaalsContact CA-OD1 3.28Å; A79-N153 WeakPolarHBondContact CA-OD1 3.49Å; V80-N153 PolarHBondContact N-OD1 3.24Å; V80-N153 PolarHBondContact O-ND2 2.98Å; R119-N153 PolarHBondContact O-N 3.04Å
154	P	98.8	Very high	97.8	Very high	1 Å²	1	56 Å²	56	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	144.5	-177.9	29.1	-35.9	0	0	0	111.9	L121 F151 L152 V188 S189 M214 L217	L121-P154 HydrophobicContact CD2-CB 4.23Å; L121-P154 HydrophobicContact CD2-CG 3.66Å; L121-P154 HydrophobicContact CG-CG 3.99Å; F151-P154 HydrophobicContact CB-CB 3.98Å; F151-P154 HydrophobicContact CB-CG 4.44Å; L152-P154 VanDerWaalsContact C-CD 3.44Å; L152-P154 VanDerWaalsContact C-N 3.33Å; P154-V188 HydrophobicContact CB-CG2 3.81Å; P154-S189 CarbonylContact C-O 3.5Å; P154-S189 WeakPolarHBondContact CA-O 3.47Å; P154-M214 HydrophobicContact CB-SD 4.27Å; P154-M214 HydrophobicContact CG-CE 4.24Å; P154-M214 HydrophobicContact CG-SD 4.07Å; P154-L217 HydrophobicContact CG-CD1 3.42Å; P154-L217 VanDerWaalsContact CG-CD1 3.42Å
155	E	98.6	Very high	97.9	Very high	143 Å²	143	58.4 Å²	58.4	67%	0.668	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.6	164	-63.9	-173.5	172.9	0	0	108.9	V188 S189	E155-V188 WeakPolarHBondContact O-CA 3.34Å; E155-S189 PolarHBondContact N-O 2.97Å; E155-S189 PolarHBondContact O-N 3.35Å
156	L	98.5	Very high	97.9	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.288	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.9	-175.9	-169.3	153.5	0	0	0	110.3	V158 V186 E187 L210 Q211 M214	L156-V158 HydrophobicContact CD2-CG2 4.48Å; L156-V186 HydrophobicContact CD1-CB 4.45Å; L156-V186 HydrophobicContact CD1-CG2 4.29Å; L156-V186 HydrophobicContact CD2-CB 3.91Å; L156-V186 HydrophobicContact CD2-CG1 3.84Å; L156-V186 HydrophobicContact CG-CB 4.15Å; L156-V186 HydrophobicContact CG-CG2 4.43Å; L156-E187 CarbonylContact C-O 3.57Å; L156-E187 WeakPolarHBondContact CA-O 3.38Å; L156-L210 HydrophobicContact CD1-CB 4.46Å; L156-Q211 HydrophobicContact CD1-CG 4.02Å; L156-M214 HydrophobicContact CB-CG 4.06Å; L156-M214 HydrophobicContact CB-SD 4.21Å; L156-M214 HydrophobicContact CD1-CB 4Å; L156-M214 HydrophobicContact CD1-CG 4.06Å
157	R	98.6	Very high	97.8	Very high	146 Å²	146	58.4 Å²	58.4	55%	0.551	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.9	176.2	-177.2	169.2	70.1	132	-1.8	110.1	V186 E187	R157-V186 CarbonylContact O-C 3.58Å; R157-V186 VanDerWaalsContact O-CA 3.29Å; R157-V186 WeakPolarHBondContact O-CA 3.21Å; R157-E187 HydrophobicContact CB-CB 4.42Å; R157-E187 IonicContact CZ-OE1 3.92Å; R157-E187 PolarHBondContact N-O 3.29Å; R157-E187 IonicContact NE-OE1 3.71Å; R157-E187 PolarHBondContact NE-OE1 3.09Å; R157-E187 IonicContact NH2-OE1 3.62Å; R157-E187 PolarHBondContact NH2-OE1 3.47Å; R157-E187 IonicContact NH2-OE2 2.87Å; R157-E187 PolarHBondContact NH2-OE2 3.04Å; R157-E187 PolarHBondContact O-N 3.36Å
158	V	98.6	Very high	97.8	Very high	60 Å²	60	55.2 Å²	55.2	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.2	176.1	-179.3	0	0	0	0	109.5	L156 D160 F183	L156-V158 HydrophobicContact CD2-CG2 4.48Å; V158-D160 WeakPolarHBondContact CG1-O 3.32Å; V158-F183 HydrophobicContact CG1-CB 4.05Å; V158-F183 HydrophobicContact CG1-CD1 3.85Å; V158-F183 HydrophobicContact CG1-CD2 4.19Å; V158-F183 HydrophobicContact CG1-CE1 4.35Å; V158-F183 HydrophobicContact CG1-CG 3.76Å; V158-F183 HydrophobicContact CG2-CD1 4.5Å; V158-F183 HydrophobicContact CG2-CD2 3.47Å; V158-F183 VanDerWaalsContact CG2-CD2 3.47Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CG 3.94Å; V158-F183 HydrophobicContact CG2-CZ 4.22Å
159	L	98.3	Very high	97.7	Very high	69 Å²	69	55.4 Å²	55.4	36%	0.361	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-35.1	176.8	-61.4	179.8	0	0	0	111.7	S185 E187 Q201	L159-S185 WeakPolarHBondContact CB-OG 3.44Å; L159-S185 PolarHBondContact N-O 2.89Å; L159-E187 HydrophobicContact CD1-CB 4.07Å; L159-E187 HydrophobicContact CD2-CB 4.11Å; L159-E187 HydrophobicContact CG-CB 4.11Å; L159-Q201 HydrophobicContact CD1-CB 3.98Å; L159-Q201 HydrophobicContact CD1-CG 3.78Å
160	D	97	Very high	97.7	Very high	52 Å²	52	52.1 Å²	52.1	28%	0.278	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.5	173.7	-177.3	-14.5	0	0	0	109.4	V158 S162 R184 S185	V158-D160 WeakPolarHBondContact CG1-O 3.32Å; D160-S162 PolarHBondContact O-N 3Å; D160-S162 VanDerWaalsContact OD1-CB 3.22Å; D160-S162 WeakPolarHBondContact OD1-CB 3.3Å; D160-S162 PolarHBondContact OD1-N 3.4Å; D160-S162 PolarHBondContact OD1-OG 2.7Å; D160-S162 PolarHBondContact OD2-OG 2.9Å; D160-S162 VanDerWaalsContact OD2-OG 3.11Å; D160-R184 HydrophobicContact CB-CB 4.35Å; D160-R184 WeakPolarHBondContact OD2-CD 3.34Å; D160-S185 WeakPolarHBondContact CB-OG 3.15Å; D160-S185 PolarHBondContact N-O 2.87Å; D160-S185 PolarHBondContact N-OG 2.96Å; D160-S185 VanDerWaalsContact N-OG 3.14Å
161	G	92.6	Very high	97.6	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-7.3	-179.3	0	0	0	0	0	114.7
162	S	97.2	Very high	97.6	Very high	44 Å²	44	54.4 Å²	54.4	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	136.6	174.8	67.6	0	0	0	0	111.1	D160 F183 R184	D160-S162 PolarHBondContact O-N 3Å; D160-S162 VanDerWaalsContact OD1-CB 3.22Å; D160-S162 WeakPolarHBondContact OD1-CB 3.3Å; D160-S162 PolarHBondContact OD1-N 3.4Å; D160-S162 PolarHBondContact OD1-OG 2.7Å; D160-S162 PolarHBondContact OD2-OG 2.9Å; D160-S162 VanDerWaalsContact OD2-OG 3.11Å; S162-F183 WeakPolarHBondContact O-CA 3.34Å; S162-R184 PolarHBondContact O-N 3.11Å
163	T	97.1	Very high	97.6	Very high	88 Å²	88	54.9 Å²	54.9	54%	0.54	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.7	-178.4	58	0	0	0	0	112.1	R182 F183	T163-R182 CarbonylContact C-O 3.55Å; T163-R182 WeakPolarHBondContact CA-O 3.14Å; T163-F183 HydrophobicContact CG2-CD1 4.13Å; T163-F183 HydrophobicContact CG2-CE1 4.21Å
164	V	96.9	Very high	97.5	Very high	53 Å²	53	56.4 Å²	56.4	32%	0.321	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.2	172.1	-175.7	0	0	0	0	108.7	R182 R184 R208	V164-R182 PolarHBondContact N-O 2.83Å; V164-R182 PolarHBondContact O-N 2.9Å; V164-R184 HydrophobicContact CG2-CB 4.33Å; V164-R208 PolarHBondContact O-NH2 2.79Å
165	L	97.8	Very high	97.4	Very high	98 Å²	98	57.6 Å²	57.6	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.2	173.6	-170.7	68	0	0	0	109.2	A179 P181	L165-A179 HydrophobicContact CD1-CB 3.79Å; L165-A179 HydrophobicContact CD2-CB 4.26Å; L165-A179 HydrophobicContact CG-CB 3.91Å; L165-P181 HydrophobicContact CD1-CB 4.42Å
166	S	97.2	Very high	97.4	Very high	21 Å²	21	54.2 Å²	54.2	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	174.2	-45.6	0	0	0	0	110.1	E168 A179 V180 R208	S166-E168 PolarHBondContact O-N 3.31Å; S166-A179 WeakPolarHBondContact O-CA 3.39Å; S166-V180 PolarHBondContact N-O 2.7Å; S166-V180 PolarHBondContact O-N 3.48Å; S166-R208 VanDerWaalsContact CB-NH2 3.26Å; S166-R208 PolarHBondContact OG-NH2 2.79Å
167	Q	96.8	Very high	97.3	Very high	76 Å²	76	52 Å²	52	36%	0.355	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.5	177.7	-160.7	74.6	-17.4	0	0	110.8	S177 A178 W205	Q167-S177 PolarHBondContact NE2-OG 2.82Å; Q167-A178 PolarHBondContact OE1-O 2.81Å; Q167-W205 WeakPolarHBondContact O-CH2 3.38Å
168	E	96.8	Very high	97.3	Very high	9 Å²	9	45 Å²	45	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.2	172.2	-75.6	-176	-157.5	0	0	110.4	S166 S177 A178 V180 R182 R208 H212	S166-E168 PolarHBondContact O-N 3.31Å; E168-S177 CarbonylContact O-C 3.29Å; E168-S177 WeakPolarHBondContact O-CA 3.26Å; E168-S177 WeakPolarHBondContact O-CB 3.5Å; E168-A178 PolarHBondContact N-O 2.99Å; E168-A178 PolarHBondContact O-N 3.49Å; E168-V180 HydrophobicContact CB-CB 4.41Å; E168-V180 HydrophobicContact CB-CG2 3.98Å; E168-V180 HydrophobicContact CG-CB 4.18Å; E168-V180 HydrophobicContact CG-CG2 4.3Å; E168-R182 WeakPolarHBondContact OE1-CG 3.39Å; E168-R182 IonicContact OE1-CZ 3.36Å; E168-R182 IonicContact OE1-NE 3.41Å; E168-R182 PolarHBondContact OE1-NE 3.27Å; E168-R182 IonicContact OE1-NH2 3.13Å; E168-R182 IonicContact OE2-CZ 3.77Å; E168-R182 IonicContact OE2-NE 2.67Å; E168-R182 PolarHBondContact OE2-NE 2.85Å; E168-R182 IonicContact OE2-NH2 2.8Å; E168-R182 PolarHBondContact OE2-NH2 3.46Å; E168-R208 HydrophobicContact CG-CG 4.31Å; E168-R208 WeakPolarHBondContact OE1-CD 3.46Å; E168-R208 VanDerWaalsContact OE1-CG 3.26Å; E168-R208 WeakPolarHBondContact OE1-CG 3.34Å; E168-R208 IonicContact OE1-CZ 3.44Å; E168-R208 IonicContact OE1-NE 3.79Å; E168-R208 IonicContact OE1-NH1 3.24Å; E168-R208 PolarHBondContact OE1-NH1 2.99Å; E168-H212 IonicContact OE2-CE1 3.88Å; E168-H212 IonicContact OE2-CG 3.62Å; E168-H212 IonicContact OE2-ND1 2.66Å; E168-H212 PolarHBondContact OE2-ND1 2.85Å
169	A	96.9	Very high	97.3	Very high	62 Å²	62	42.6 Å²	42.6	51%	0.512	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	164.7	169	0	0	0	0	0	108.6
170	C	98.3	Very high	97.4	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.068	25%	0.247	C	C	.	.			trans	-140.3	135.1	-179.7	-172.6	0	0	0	0	110.3	S172 V173 H212 H216 F222	C170-S172 PolarHBondContact O-N 2.92Å; C170-S172 VanDerWaalsContact O-N 3.14Å; C170-S172 PolarHBondContact SG-N 3Å; C170-V173 HydrophobicContact CB-CB 4.41Å; C170-V173 HydrophobicContact CB-CG2 4.31Å; C170-V173 CarbonylContact O-C 3.49Å; C170-V173 VanDerWaalsContact O-C 3.29Å; C170-V173 PolarHBondContact O-N 2.89Å; C170-H212 PolarHBondContact SG-NE2 2.94Å; C170-H216 PolarHBondContact SG-CE1 3.27Å; C170-H216 PolarHBondContact SG-NE2 3.21Å; C170-F222 HydrophobicContact CB-CD1 3.63Å; C170-F222 HydrophobicContact CB-CE1 3.68Å
171	E	98.3	Very high	97.4	Very high	67 Å²	67	39.5 Å²	39.5	31%	0.313	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	174.9	-66.6	-57.1	138.7	0	0	112.8	V65 Q67 L104 C106 V173 S174	V65-E171 HydrophobicContact CB-CB 4.34Å; V65-E171 HydrophobicContact CG1-CB 3.89Å; V65-E171 HydrophobicContact CG2-CB 4.14Å; Q67-E171 PolarHBondContact NE2-O 3Å; L104-E171 HydrophobicContact CD1-CG 4.29Å; C106-E171 HydrophobicContact CB-CG 3.71Å; E171-V173 VanDerWaalsContact C-N 3.33Å; E171-S174 PolarHBondContact O-OG 3Å
172	S	98.5	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.1	174.6	-63.8	0	0	0	0	114.1	V65 C66 Q67 V68 Q113 C170	V65-S172 VanDerWaalsContact CG1-OG 3.25Å; V65-S172 WeakPolarHBondContact CG1-OG 3.05Å; C66-S172 WeakPolarHBondContact O-CA 3.22Å; C66-S172 WeakPolarHBondContact O-CB 3.48Å; C66-S172 PolarHBondContact O-OG 3.3Å; Q67-S172 CarbonylContact C-O 3.55Å; Q67-S172 WeakPolarHBondContact CA-O 3.42Å; Q67-S172 PolarHBondContact OE1-O 3.02Å; V68-S172 PolarHBondContact N-O 3.24Å; Q113-S172 WeakPolarHBondContact CG-OG 3.12Å; Q113-S172 PolarHBondContact NE2-OG 3.31Å; C170-S172 PolarHBondContact O-N 2.92Å; C170-S172 VanDerWaalsContact O-N 3.14Å; C170-S172 PolarHBondContact SG-N 3Å
173	V	98.3	Very high	97.8	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	23%	0.229	C	C	.	.	S	Bend	trans	-129.9	67.4	174.4	-169.2	0	0	0	0	107.9	V68 C170 E171 G175 F176 F222 L223	V68-V173 HydrophobicContact CB-CG2 4.25Å; V68-V173 HydrophobicContact CG1-CG1 4.5Å; V68-V173 HydrophobicContact CG1-CG2 4.32Å; C170-V173 HydrophobicContact CB-CB 4.41Å; C170-V173 HydrophobicContact CB-CG2 4.31Å; C170-V173 CarbonylContact O-C 3.49Å; C170-V173 VanDerWaalsContact O-C 3.29Å; C170-V173 PolarHBondContact O-N 2.89Å; E171-V173 VanDerWaalsContact C-N 3.33Å; V173-G175 PolarHBondContact O-N 3.46Å; V173-F176 HydrophobicContact CG1-CB 4.29Å; V173-F176 HydrophobicContact CG1-CD2 4.42Å; V173-F176 PolarHBondContact O-N 3.45Å; V173-F222 HydrophobicContact CB-CE1 3.83Å; V173-F222 HydrophobicContact CB-CZ 4.43Å; V173-F222 HydrophobicContact CG1-CE1 4.26Å; V173-F222 HydrophobicContact CG1-CZ 4.42Å; V173-F222 HydrophobicContact CG2-CD1 4.45Å; V173-F222 HydrophobicContact CG2-CE1 3.79Å; V173-L223 HydrophobicContact CG1-CD1 4.22Å; V173-L223 HydrophobicContact CG1-CD2 4.41Å; V173-L223 HydrophobicContact CG2-CD1 3.97Å; V173-L223 HydrophobicContact CG2-CG 4.31Å
174	S	96.6	Very high	97.8	Very high	68 Å²	68	41.2 Å²	41.2	48%	0.476	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.2	-172.5	-62.4	0	0	0	0	112.6	Q67 E171 F176	Q67-S174 PolarHBondContact OE1-OG 3.05Å; E171-S174 PolarHBondContact O-OG 3Å; S174-F176 WeakPolarHBondContact O-CD2 3.41Å
175	G	96.3	Very high	97.9	Very high	26 Å²	26	39.3 Å²	39.3	27%	0.268	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	4.6	172.2	0	0	0	0	0	115.6	V173 N233 I234	V173-G175 PolarHBondContact O-N 3.46Å; G175-N233 WeakPolarHBondContact O-CA 3.47Å; G175-I234 PolarHBondContact O-N 3.38Å
176	F	98.3	Very high	97.9	Very high	71 Å²	71	34.7 Å²	34.7	31%	0.311	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.2	-179.3	-61.6	-87.8	0	0	0	113.2	V173 S174 F231 I232 N233	V173-F176 HydrophobicContact CG1-CB 4.29Å; V173-F176 HydrophobicContact CG1-CD2 4.42Å; V173-F176 PolarHBondContact O-N 3.45Å; S174-F176 WeakPolarHBondContact O-CD2 3.41Å; F176-F231 HydrophobicContact CB-CD2 4.42Å; F176-F231 HydrophobicContact CB-CE1 4.48Å; F176-F231 HydrophobicContact CB-CE2 3.47Å; F176-F231 VanDerWaalsContact CB-CE2 3.47Å; F176-F231 HydrophobicContact CB-CZ 3.51Å; F176-F231 HydrophobicContact CD1-CD1 4.4Å; F176-F231 AromaticContact CD1-CE1 3.51Å; F176-F231 HydrophobicContact CD1-CE1 3.51Å; F176-F231 HydrophobicContact CD1-CE2 4.07Å; F176-F231 AromaticContact CD1-CZ 3.31Å; F176-F231 HydrophobicContact CD1-CZ 3.31Å; F176-F231 HydrophobicContact CD2-CZ 4.23Å; F176-F231 AromaticContact CE1-CE1 3.94Å; F176-F231 HydrophobicContact CE1-CE1 3.94Å; F176-F231 HydrophobicContact CE1-CZ 4.05Å; F176-F231 HydrophobicContact CG-CE1 4.12Å; F176-F231 AromaticContact CG-CE2 3.95Å; F176-F231 HydrophobicContact CG-CE2 3.95Å; F176-F231 AromaticContact CG-CZ 3.41Å; F176-F231 HydrophobicContact CG-CZ 3.41Å; F176-F231 VanDerWaalsContact CG-CZ 3.41Å; F176-I232 VanDerWaalsContact CA-O 3.31Å; F176-I232 WeakPolarHBondContact CA-O 3.18Å; F176-N233 HydrophobicContact CD1-CB 4.25Å; F176-N233 HydrophobicContact CE1-CB 4.02Å
177	S	98.1	Very high	98	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.2	173.9	64.7	0	0	0	0	110.8	Q167 E168 F231 I232	Q167-S177 PolarHBondContact NE2-OG 2.82Å; E168-S177 CarbonylContact O-C 3.29Å; E168-S177 WeakPolarHBondContact O-CA 3.26Å; E168-S177 WeakPolarHBondContact O-CB 3.5Å; S177-F231 WeakPolarHBondContact O-CA 3.45Å; S177-I232 PolarHBondContact N-O 2.69Å; S177-I232 PolarHBondContact O-N 2.96Å; S177-I232 WeakPolarHBondContact OG-CG1 3.31Å
178	A	98.4	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	162.1	172.6	0	0	0	0	0	111.6	Q167 E168 F222 M226 F231	Q167-A178 PolarHBondContact OE1-O 2.81Å; E168-A178 PolarHBondContact N-O 2.99Å; E168-A178 PolarHBondContact O-N 3.49Å; A178-F222 HydrophobicContact CB-CD2 4.39Å; A178-F222 HydrophobicContact CB-CE2 3.89Å; A178-M226 HydrophobicContact CB-CB 3.62Å; A178-M226 HydrophobicContact CB-CG 4.07Å; A178-M226 HydrophobicContact CB-SD 3.44Å; A178-M226 WeakPolarHBondContact CB-SD 3.41Å; A178-F231 HydrophobicContact CB-CB 4.22Å; A178-F231 HydrophobicContact CB-CD2 4.12Å
179	A	98.5	Very high	98.2	Very high	9 Å²	9	32.8 Å²	32.8	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.1	177.1	0	0	0	0	0	110	L165 S166 M226 D227 T230	L165-A179 HydrophobicContact CD1-CB 3.79Å; L165-A179 HydrophobicContact CD2-CB 4.26Å; L165-A179 HydrophobicContact CG-CB 3.91Å; S166-A179 WeakPolarHBondContact O-CA 3.39Å; A179-M226 CarbonylContact O-C 3.48Å; A179-M226 WeakPolarHBondContact O-CA 3.41Å; A179-D227 PolarHBondContact O-N 3.19Å; A179-T230 HydrophobicContact CB-CG2 3.95Å; A179-T230 VanDerWaalsContact CB-OG1 3.25Å; A179-T230 WeakPolarHBondContact CB-OG1 3.48Å; A179-T230 PolarHBondContact N-OG1 3.39Å
180	V	98.8	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.9	-176.6	-178.6	0	0	0	0	109.5	S166 E168 R182 R208 F222 R225 M226	S166-V180 PolarHBondContact N-O 2.7Å; S166-V180 PolarHBondContact O-N 3.48Å; E168-V180 HydrophobicContact CB-CB 4.41Å; E168-V180 HydrophobicContact CB-CG2 3.98Å; E168-V180 HydrophobicContact CG-CB 4.18Å; E168-V180 HydrophobicContact CG-CG2 4.3Å; V180-R182 HydrophobicContact CG1-CG 4.4Å; V180-R208 PolarHBondContact O-NH1 2.81Å; V180-F222 HydrophobicContact CG2-CB 4.03Å; V180-F222 HydrophobicContact CG2-CD2 3.92Å; V180-F222 HydrophobicContact CG2-CG 4.45Å; V180-R225 HydrophobicContact CG1-CB 3.93Å; V180-M226 HydrophobicContact CG2-CB 3.97Å
181	P	98.4	Very high	98.3	Very high	56 Å²	56	31.2 Å²	31.2	36%	0.364	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.1	172.8	30.5	-32.4	0	0	0	110.1	L165 R225	L165-P181 HydrophobicContact CD1-CB 4.42Å; P181-R225 WeakPolarHBondContact CD-O 3.3Å
182	R	98.5	Very high	98.3	Very high	8 Å²	8	28.9 Å²	28.9	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.8	176.6	-66.1	-68	-171	-176.5	-3.4	111.1	T163 V164 E168 V180 R208 Q211 D215	T163-R182 CarbonylContact C-O 3.55Å; T163-R182 WeakPolarHBondContact CA-O 3.14Å; V164-R182 PolarHBondContact N-O 2.83Å; V164-R182 PolarHBondContact O-N 2.9Å; E168-R182 WeakPolarHBondContact OE1-CG 3.39Å; E168-R182 IonicContact OE1-CZ 3.36Å; E168-R182 IonicContact OE1-NE 3.41Å; E168-R182 PolarHBondContact OE1-NE 3.27Å; E168-R182 IonicContact OE1-NH2 3.13Å; E168-R182 IonicContact OE2-CZ 3.77Å; E168-R182 IonicContact OE2-NE 2.67Å; E168-R182 PolarHBondContact OE2-NE 2.85Å; E168-R182 IonicContact OE2-NH2 2.8Å; E168-R182 PolarHBondContact OE2-NH2 3.46Å; V180-R182 HydrophobicContact CG1-CG 4.4Å; R182-R208 HydrophobicContact CB-CB 4.48Å; R182-R208 HydrophobicContact CG-CB 4.37Å; R182-R208 HydrophobicContact CG-CG 4.05Å; R182-Q211 PolarHBondContact NH1-O 3.29Å; R182-D215 IonicContact CZ-OD2 3.02Å; R182-D215 IonicContact NH1-OD2 3.99Å; R182-D215 PolarHBondContact NH1-OD2 2.89Å; R182-D215 IonicContact NH2-OD2 3.96Å; R182-D215 PolarHBondContact NH2-OD2 3.03Å
183	F	98.6	Very high	98.2	Very high	81 Å²	81	32.1 Å²	32.1	36%	0.355	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.4	172.6	-63	-62.2	0	0	0	110.7	V158 S162 T163 V186 Q211	V158-F183 HydrophobicContact CG1-CB 4.05Å; V158-F183 HydrophobicContact CG1-CD1 3.85Å; V158-F183 HydrophobicContact CG1-CD2 4.19Å; V158-F183 HydrophobicContact CG1-CE1 4.35Å; V158-F183 HydrophobicContact CG1-CG 3.76Å; V158-F183 HydrophobicContact CG2-CD1 4.5Å; V158-F183 HydrophobicContact CG2-CD2 3.47Å; V158-F183 VanDerWaalsContact CG2-CD2 3.47Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CG 3.94Å; V158-F183 HydrophobicContact CG2-CZ 4.22Å; S162-F183 WeakPolarHBondContact O-CA 3.34Å; T163-F183 HydrophobicContact CG2-CD1 4.13Å; T163-F183 HydrophobicContact CG2-CE1 4.21Å; F183-V186 HydrophobicContact CB-CG1 4.14Å; F183-Q211 PolarHBondContact O-NE2 3.2Å
184	R	97.7	Very high	98.1	Very high	132 Å²	132	36.5 Å²	36.5	50%	0.498	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-38.4	-176.5	178.7	177.7	-75.5	177.8	-4.7	112.4	D160 S162 V164 S203 G204	D160-R184 HydrophobicContact CB-CB 4.35Å; D160-R184 WeakPolarHBondContact OD2-CD 3.34Å; S162-R184 PolarHBondContact O-N 3.11Å; V164-R184 HydrophobicContact CG2-CB 4.33Å; R184-S203 WeakPolarHBondContact O-CA 3.46Å; R184-G204 PolarHBondContact O-N 3.24Å
185	S	98.4	Very high	98.1	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.6	179.7	67.5	0	0	0	0	112.6	L159 D160 A202 S203	L159-S185 WeakPolarHBondContact CB-OG 3.44Å; L159-S185 PolarHBondContact N-O 2.89Å; D160-S185 WeakPolarHBondContact CB-OG 3.15Å; D160-S185 PolarHBondContact N-O 2.87Å; D160-S185 PolarHBondContact N-OG 2.96Å; D160-S185 VanDerWaalsContact N-OG 3.14Å; S185-A202 VanDerWaalsContact CA-O 3.26Å; S185-A202 WeakPolarHBondContact CA-O 3.49Å; S185-A202 WeakPolarHBondContact CB-O 3.41Å; S185-S203 WeakPolarHBondContact CB-OG 3.31Å
186	V	98.8	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.2	-176.3	-57	0	0	0	0	109.3	L156 R157 F183 Q201 A202 A207 L210 Q211	L156-V186 HydrophobicContact CD1-CB 4.45Å; L156-V186 HydrophobicContact CD1-CG2 4.29Å; L156-V186 HydrophobicContact CD2-CB 3.91Å; L156-V186 HydrophobicContact CD2-CG1 3.84Å; L156-V186 HydrophobicContact CG-CB 4.15Å; L156-V186 HydrophobicContact CG-CG2 4.43Å; R157-V186 CarbonylContact O-C 3.58Å; R157-V186 VanDerWaalsContact O-CA 3.29Å; R157-V186 WeakPolarHBondContact O-CA 3.21Å; F183-V186 HydrophobicContact CB-CG1 4.14Å; V186-Q201 WeakPolarHBondContact O-CA 3.25Å; V186-A202 PolarHBondContact N-O 2.97Å; V186-A202 PolarHBondContact O-N 2.9Å; V186-A207 HydrophobicContact CG2-CB 3.91Å; V186-L210 HydrophobicContact CG2-CB 4.32Å; V186-L210 HydrophobicContact CG2-CD1 4Å; V186-Q211 HydrophobicContact CG1-CG 3.96Å
187	E	98.8	Very high	98.2	Very high	26 Å²	26	44.1 Å²	44.1	12%	0.121	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.5	166.3	-175.7	176.3	70.7	0	0	108.3	L156 R157 L159 T199 W200 Q201	L156-E187 CarbonylContact C-O 3.57Å; L156-E187 WeakPolarHBondContact CA-O 3.38Å; R157-E187 HydrophobicContact CB-CB 4.42Å; R157-E187 IonicContact CZ-OE1 3.92Å; R157-E187 PolarHBondContact N-O 3.29Å; R157-E187 IonicContact NE-OE1 3.71Å; R157-E187 PolarHBondContact NE-OE1 3.09Å; R157-E187 IonicContact NH2-OE1 3.62Å; R157-E187 PolarHBondContact NH2-OE1 3.47Å; R157-E187 IonicContact NH2-OE2 2.87Å; R157-E187 PolarHBondContact NH2-OE2 3.04Å; R157-E187 PolarHBondContact O-N 3.36Å; L159-E187 HydrophobicContact CD1-CB 4.07Å; L159-E187 HydrophobicContact CD2-CB 4.11Å; L159-E187 HydrophobicContact CG-CB 4.11Å; E187-T199 HydrophobicContact CG-CG2 3.55Å; E187-W200 WeakPolarHBondContact CA-O 3.37Å; E187-Q201 HydrophobicContact CB-CG 4.04Å; E187-Q201 HydrophobicContact CG-CG 3.85Å; E187-Q201 WeakPolarHBondContact OE2-CG 3.18Å; E187-Q201 PolarHBondContact OE2-NE2 3.26Å
188	V	98.8	Very high	98.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.6	170.2	61.2	0	0	0	0	109	F151 P154 E155 T199 W200 L210	F151-V188 HydrophobicContact CD1-CG1 4.28Å; F151-V188 HydrophobicContact CD1-CG2 4.04Å; F151-V188 HydrophobicContact CE1-CG1 3.69Å; F151-V188 HydrophobicContact CE1-CG2 4.26Å; F151-V188 HydrophobicContact CE2-CG1 3.96Å; F151-V188 HydrophobicContact CG-CG2 4.24Å; F151-V188 HydrophobicContact CZ-CG1 3.51Å; P154-V188 HydrophobicContact CB-CG2 3.81Å; E155-V188 WeakPolarHBondContact O-CA 3.34Å; V188-T199 CarbonylContact O-C 3.58Å; V188-T199 WeakPolarHBondContact O-CA 3.41Å; V188-W200 HydrophobicContact CG1-CB 4.17Å; V188-W200 HydrophobicContact CG1-CE3 3.98Å; V188-W200 PolarHBondContact N-O 3.02Å; V188-W200 PolarHBondContact O-N 3.05Å; V188-L210 HydrophobicContact CB-CD1 4.18Å; V188-L210 HydrophobicContact CB-CD2 4.31Å; V188-L210 HydrophobicContact CG1-CD1 3.64Å; V188-L210 HydrophobicContact CG1-CD2 3.84Å; V188-L210 HydrophobicContact CG1-CG 4.41Å
189	S	98.8	Very high	98.3	Very high	40 Å²	40	50.2 Å²	50.2	28%	0.28	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.3	170.7	52.8	0	0	0	0	109.6	P154 E155 V198	P154-S189 CarbonylContact C-O 3.5Å; P154-S189 WeakPolarHBondContact CA-O 3.47Å; E155-S189 PolarHBondContact N-O 2.97Å; E155-S189 PolarHBondContact O-N 3.35Å; S189-V198 WeakPolarHBondContact CA-O 3.43Å
190	G	98.6	Very high	98.3	Very high	15 Å²	15	51.5 Å²	51.5	16%	0.155	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-161	178.4	0	0	0	0	0	111.6	E197 V198	G190-E197 WeakPolarHBondContact O-CA 3.35Å; G190-V198 PolarHBondContact N-O 2.95Å; G190-V198 PolarHBondContact O-N 2.78Å
191	L	98.8	Very high	98.2	Very high	24 Å²	24	57 Å²	57	13%	0.126	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.1	176.2	-56.1	176.2	0	0	0	110.6	P82 I85 F151 L152 Q196 E197	P82-L191 HydrophobicContact CB-CD1 4.04Å; P82-L191 HydrophobicContact CG-CD1 4.01Å; I85-L191 HydrophobicContact CD1-CB 3.99Å; I85-L191 HydrophobicContact CD1-CD1 3.51Å; I85-L191 HydrophobicContact CD1-CG 4.4Å; F151-L191 CarbonylContact C-O 3.5Å; F151-L191 WeakPolarHBondContact CA-O 3.42Å; L152-L191 HydrophobicContact CB-CB 4.31Å; L152-L191 WeakPolarHBondContact CD1-O 3.32Å; L152-L191 PolarHBondContact N-O 3.46Å; L152-L191 PolarHBondContact O-N 3.12Å; L191-Q196 CarbonylContact C-O 3.52Å; L191-Q196 VanDerWaalsContact CA-O 3.32Å; L191-Q196 WeakPolarHBondContact CA-O 3.42Å; L191-E197 HydrophobicContact CD2-CG 3.84Å
192	N	98.3	Very high	98.2	Very high	17 Å²	17	54.6 Å²	54.6	9%	0.091	28%	0.279	C	S	.	.			trans	-85.4	-178.6	171.5	73.7	7.1	0	0	0	111.9	L152 N194 G195 Q196 V198	L152-N192 WeakPolarHBondContact CD1-O 3.4Å; N192-N194 PolarHBondContact O-N 2.79Å; N192-N194 WeakPolarHBondContact OD1-CA 3.48Å; N192-N194 WeakPolarHBondContact OD1-CB 3.23Å; N192-N194 PolarHBondContact OD1-N 3.17Å; N192-G195 PolarHBondContact O-N 3.11Å; N192-G195 PolarHBondContact OD1-N 2.99Å; N192-Q196 PolarHBondContact N-O 3.39Å; N192-Q196 PolarHBondContact ND2-OE1 3.05Å; N192-Q196 WeakPolarHBondContact OD1-CB 3.33Å; N192-Q196 PolarHBondContact OD1-N 3.01Å; N192-V198 HydrophobicContact CB-CG1 3.92Å; N192-V198 HydrophobicContact CB-CG2 4.16Å
193	E	96.9	Very high	98.2	Very high	68 Å²	68	57.8 Å²	57.8	32%	0.318	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.7	-179.9	72.6	-74.3	175.6	0	0	115	I85 Q91 L94 I150	I85-E193 WeakPolarHBondContact CG2-O 3.48Å; Q91-E193 PolarHBondContact NE2-O 3.45Å; L94-E193 HydrophobicContact CD1-CB 3.71Å; I150-E193 HydrophobicContact CD1-CB 4.27Å
194	N	96.4	Very high	98.2	Very high	103 Å²	103	55.1 Å²	55.1	55%	0.551	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	4.4	176.4	-53.6	-61.8	0	0	0	112.3	N192 Q196	N192-N194 PolarHBondContact O-N 2.79Å; N192-N194 WeakPolarHBondContact OD1-CA 3.48Å; N192-N194 WeakPolarHBondContact OD1-CB 3.23Å; N192-N194 PolarHBondContact OD1-N 3.17Å; N194-Q196 VanDerWaalsContact C-N 3.33Å; N194-Q196 HydrophobicContact CB-CG 4.26Å
195	G	96.9	Very high	98.2	Very high	28 Å²	28	51 Å²	51	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	76.1	16.2	-177.9	0	0	0	0	0	114.5	N192	N192-G195 PolarHBondContact O-N 3.11Å; N192-G195 PolarHBondContact OD1-N 2.99Å
196	Q	98.1	Very high	98.2	Very high	118 Å²	118	50.5 Å²	50.5	55%	0.551	28%	0.279	S	S	*	.			trans	-91	141.9	179	-56.3	168.4	-37.2	0	0	110.5	L191 N192 N194 V198	L191-Q196 CarbonylContact C-O 3.52Å; L191-Q196 VanDerWaalsContact CA-O 3.32Å; L191-Q196 WeakPolarHBondContact CA-O 3.42Å; N192-Q196 PolarHBondContact N-O 3.39Å; N192-Q196 PolarHBondContact ND2-OE1 3.05Å; N192-Q196 WeakPolarHBondContact OD1-CB 3.33Å; N192-Q196 PolarHBondContact OD1-N 3.01Å; N194-Q196 VanDerWaalsContact C-N 3.33Å; N194-Q196 HydrophobicContact CB-CG 4.26Å; Q196-V198 PolarHBondContact O-N 3.34Å
197	E	98.4	Very high	98.2	Very high	179 Å²	179	50.5 Å²	50.5	84%	0.836	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	130.9	174.7	-67.8	-177.2	175.4	0	0	111.3	G190 L191	G190-E197 WeakPolarHBondContact O-CA 3.35Å; L191-E197 HydrophobicContact CD2-CG 3.84Å
198	V	98.3	Very high	98.2	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.6	177	-68.3	0	0	0	0	109.6	F151 S189 G190 N192 Q196	F151-V198 HydrophobicContact CD1-CG2 3.84Å; F151-V198 HydrophobicContact CE1-CG2 3.7Å; S189-V198 WeakPolarHBondContact CA-O 3.43Å; G190-V198 PolarHBondContact N-O 2.95Å; G190-V198 PolarHBondContact O-N 2.78Å; N192-V198 HydrophobicContact CB-CG1 3.92Å; N192-V198 HydrophobicContact CB-CG2 4.16Å; Q196-V198 PolarHBondContact O-N 3.34Å
199	T	98.6	Very high	98.2	Very high	91 Å²	91	50.1 Å²	50.1	56%	0.558	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.2	173.2	-61.8	0	0	0	0	109	E187 V188	E187-T199 HydrophobicContact CG-CG2 3.55Å; V188-T199 CarbonylContact O-C 3.58Å; V188-T199 WeakPolarHBondContact O-CA 3.41Å
200	W	98.5	Very high	98.2	Very high	35 Å²	35	48.3 Å²	48.3	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	127	-178.5	178.1	45.4	0	0	0	111.7	L123 Q146 F151 E187 V188 A202 P206 L210	L123-W200 HydrophobicContact CD1-CH2 3.67Å; L123-W200 HydrophobicContact CD1-CZ3 3.74Å; L123-W200 HydrophobicContact CD2-CZ3 3.73Å; L123-W200 HydrophobicContact CG-CZ3 4.32Å; Q146-W200 VanDerWaalsContact OE1-CZ2 3.25Å; F151-W200 HydrophobicContact CE2-CE3 4.12Å; F151-W200 HydrophobicContact CZ-CB 4.05Å; F151-W200 AromaticContact CZ-CE3 3.99Å; F151-W200 HydrophobicContact CZ-CE3 3.99Å; E187-W200 WeakPolarHBondContact CA-O 3.37Å; V188-W200 HydrophobicContact CG1-CB 4.17Å; V188-W200 HydrophobicContact CG1-CE3 3.98Å; V188-W200 PolarHBondContact N-O 3.02Å; V188-W200 PolarHBondContact O-N 3.05Å; W200-A202 HydrophobicContact CD2-CB 4.43Å; W200-A202 HydrophobicContact CE3-CB 4.45Å; W200-A202 HydrophobicContact CH2-CB 3.89Å; W200-A202 HydrophobicContact CZ2-CB 3.84Å; W200-A202 HydrophobicContact CZ3-CB 4.19Å; W200-P206 HydrophobicContact CH2-CB 3.8Å; W200-P206 HydrophobicContact CZ2-CB 4.19Å; W200-L210 HydrophobicContact CE3-CD1 3.75Å; W200-L210 HydrophobicContact CE3-CD2 4.39Å; W200-L210 HydrophobicContact CE3-CG 4.42Å; W200-L210 HydrophobicContact CH2-CD1 4.38Å; W200-L210 HydrophobicContact CZ3-CD1 3.53Å; W200-L210 HydrophobicContact CZ3-CD2 4.05Å; W200-L210 HydrophobicContact CZ3-CG 3.85Å
201	Q	98.6	Very high	98.2	Very high	117 Å²	117	48.2 Å²	48.2	55%	0.547	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.3	172.1	-59.1	-173.6	1.1	0	0	110.1	L159 V186 E187	L159-Q201 HydrophobicContact CD1-CB 3.98Å; L159-Q201 HydrophobicContact CD1-CG 3.78Å; V186-Q201 WeakPolarHBondContact O-CA 3.25Å; E187-Q201 HydrophobicContact CB-CG 4.04Å; E187-Q201 HydrophobicContact CG-CG 3.85Å; E187-Q201 WeakPolarHBondContact OE2-CG 3.18Å; E187-Q201 PolarHBondContact OE2-NE2 3.26Å
202	A	98.2	Very high	98.2	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.6	-179.6	0	0	0	0	0	110.3	S185 V186 W200 P206 A207 L210	S185-A202 VanDerWaalsContact CA-O 3.26Å; S185-A202 WeakPolarHBondContact CA-O 3.49Å; S185-A202 WeakPolarHBondContact CB-O 3.41Å; V186-A202 PolarHBondContact N-O 2.97Å; V186-A202 PolarHBondContact O-N 2.9Å; W200-A202 HydrophobicContact CD2-CB 4.43Å; W200-A202 HydrophobicContact CE3-CB 4.45Å; W200-A202 HydrophobicContact CH2-CB 3.89Å; W200-A202 HydrophobicContact CZ2-CB 3.84Å; W200-A202 HydrophobicContact CZ3-CB 4.19Å; A202-P206 HydrophobicContact CB-CB 4.21Å; A202-A207 HydrophobicContact CB-CB 4.19Å; A202-L210 HydrophobicContact CB-CD1 3.75Å
203	S	98.3	Very high	98.2	Very high	74 Å²	74	47.4 Å²	47.4	52%	0.517	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.4	174.1	-63.1	0	0	0	0	109.9	R184 S185 P206	R184-S203 WeakPolarHBondContact O-CA 3.46Å; S185-S203 WeakPolarHBondContact CB-OG 3.31Å; S203-P206 WeakPolarHBondContact O-CD 3.38Å
204	G	97.6	Very high	98.3	Very high	25 Å²	25	45 Å²	45	26%	0.258	24%	0.243	S	C	.	.	S	Bend	trans	70.5	-140.3	179.6	0	0	0	0	0	112.5	R184 A207 R208	R184-G204 PolarHBondContact O-N 3.24Å; G204-A207 WeakPolarHBondContact O-CB 3.44Å; G204-A207 PolarHBondContact O-N 3.18Å; G204-A207 VanDerWaalsContact O-N 3.13Å; G204-R208 PolarHBondContact O-N 2.88Å
205	W	98.2	Very high	98.4	Very high	45 Å²	45	40.7 Å²	40.7	17%	0.17	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-41.9	-175	-161.1	-103	0	0	0	114.3	Y125 L141 G142 L143 Q167 A207 R208 I209	Y125-W205 AromaticContact CE2-CD1 3.86Å; Y125-W205 AromaticContact CE2-NE1 3.96Å; L141-W205 HydrophobicContact CB-CE3 4.09Å; L141-W205 HydrophobicContact CD1-CE3 4.22Å; L141-W205 HydrophobicContact CD1-CZ3 4.29Å; L141-W205 HydrophobicContact CD2-CE3 3.96Å; L141-W205 HydrophobicContact CD2-CZ3 3.85Å; L141-W205 HydrophobicContact CG-CE3 4.32Å; L141-W205 PolarHBondContact O-N 3.13Å; G142-W205 PolarHBondContact O-N 3.32Å; L143-W205 HydrophobicContact CD1-CB 3.82Å; L143-W205 HydrophobicContact CD1-CD2 4.28Å; L143-W205 HydrophobicContact CD1-CG 3.59Å; Q167-W205 WeakPolarHBondContact O-CH2 3.38Å; W205-A207 VanDerWaalsContact C-N 3.3Å; W205-A207 PolarHBondContact O-N 2.96Å; W205-R208 VanDerWaalsContact CZ3-CD 3.43Å; W205-R208 WeakPolarHBondContact O-CB 3.38Å; W205-R208 PolarHBondContact O-N 2.9Å; W205-R208 VanDerWaalsContact O-N 3.11Å; W205-I209 WeakPolarHBondContact O-CG1 3.33Å; W205-I209 PolarHBondContact O-N 2.71Å
206	P	98.4	Very high	98.5	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-35.9	173.8	-24.1	33.1	0	0	0	114.2	S144 Q146 W200 A202 S203 R208 I209 L210	S144-P206 WeakPolarHBondContact OG-CG 3.37Å; Q146-P206 HydrophobicContact CG-CB 4.17Å; Q146-P206 HydrophobicContact CG-CG 3.89Å; W200-P206 HydrophobicContact CH2-CB 3.8Å; W200-P206 HydrophobicContact CZ2-CB 4.19Å; A202-P206 HydrophobicContact CB-CB 4.21Å; S203-P206 WeakPolarHBondContact O-CD 3.38Å; P206-R208 VanDerWaalsContact C-N 3.34Å; P206-I209 PolarHBondContact O-N 2.94Å; P206-L210 PolarHBondContact O-N 2.82Å
207	A	98.5	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-37.4	174.8	0	0	0	0	0	111.9	V186 A202 G204 W205 Q211	V186-A207 HydrophobicContact CG2-CB 3.91Å; A202-A207 HydrophobicContact CB-CB 4.19Å; G204-A207 WeakPolarHBondContact O-CB 3.44Å; G204-A207 PolarHBondContact O-N 3.18Å; G204-A207 VanDerWaalsContact O-N 3.13Å; W205-A207 VanDerWaalsContact C-N 3.3Å; W205-A207 PolarHBondContact O-N 2.96Å; A207-Q211 WeakPolarHBondContact O-CG 3.42Å; A207-Q211 PolarHBondContact O-N 3.16Å; A207-Q211 VanDerWaalsContact O-N 3.09Å; A207-Q211 PolarHBondContact O-NE2 3.34Å
208	R	98.8	Very high	98.6	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-46.8	173.6	166.8	174.1	-51.4	-87.5	1.4	111.5	V164 S166 E168 V180 R182 G204 W205 P206 L210 Q211 H212	V164-R208 PolarHBondContact O-NH2 2.79Å; S166-R208 VanDerWaalsContact CB-NH2 3.26Å; S166-R208 PolarHBondContact OG-NH2 2.79Å; E168-R208 HydrophobicContact CG-CG 4.31Å; E168-R208 WeakPolarHBondContact OE1-CD 3.46Å; E168-R208 VanDerWaalsContact OE1-CG 3.26Å; E168-R208 WeakPolarHBondContact OE1-CG 3.34Å; E168-R208 IonicContact OE1-CZ 3.44Å; E168-R208 IonicContact OE1-NE 3.79Å; E168-R208 IonicContact OE1-NH1 3.24Å; E168-R208 PolarHBondContact OE1-NH1 2.99Å; V180-R208 PolarHBondContact O-NH1 2.81Å; R182-R208 HydrophobicContact CB-CB 4.48Å; R182-R208 HydrophobicContact CG-CB 4.37Å; R182-R208 HydrophobicContact CG-CG 4.05Å; G204-R208 PolarHBondContact O-N 2.88Å; W205-R208 VanDerWaalsContact CZ3-CD 3.43Å; W205-R208 WeakPolarHBondContact O-CB 3.38Å; W205-R208 PolarHBondContact O-N 2.9Å; W205-R208 VanDerWaalsContact O-N 3.11Å; P206-R208 VanDerWaalsContact C-N 3.34Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.2Å; R208-Q211 PolarHBondContact O-N 2.95Å; R208-H212 PolarHBondContact O-N 2.99Å
209	I	98.6	Very high	98.6	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-49.4	177.2	-63.1	165.4	0	0	0	109.8	V107 L123 Y125 W205 P206 Q211 H212 E213	V107-I209 HydrophobicContact CB-CD1 3.89Å; V107-I209 HydrophobicContact CG2-CD1 3.55Å; V107-I209 HydrophobicContact CG2-CG1 3.81Å; L123-I209 HydrophobicContact CB-CG2 3.86Å; Y125-I209 HydrophobicContact CD2-CD1 4.09Å; W205-I209 WeakPolarHBondContact O-CG1 3.33Å; W205-I209 PolarHBondContact O-N 2.71Å; P206-I209 PolarHBondContact O-N 2.94Å; I209-Q211 VanDerWaalsContact C-N 3.35Å; I209-Q211 PolarHBondContact O-N 2.89Å; I209-H212 WeakPolarHBondContact O-CB 3.33Å; I209-H212 PolarHBondContact O-N 3.2Å; I209-H212 VanDerWaalsContact O-N 3.12Å; I209-E213 HydrophobicContact CG2-CG 4.21Å; I209-E213 WeakPolarHBondContact O-CG 3.32Å; I209-E213 PolarHBondContact O-N 3.35Å
210	L	98.6	Very high	98.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-56.3	-46.2	177.9	-79.7	174.8	0	0	0	113.1	L121 L123 F151 L156 V186 V188 W200 A202 P206 R208 H212 E213 M214	L121-L210 HydrophobicContact CD1-CD2 4.2Å; L123-L210 HydrophobicContact CD2-CD2 3.58Å; L123-L210 HydrophobicContact CD2-CG 4.26Å; F151-L210 HydrophobicContact CE2-CD2 4.38Å; L156-L210 HydrophobicContact CD1-CB 4.46Å; V186-L210 HydrophobicContact CG2-CB 4.32Å; V186-L210 HydrophobicContact CG2-CD1 4Å; V188-L210 HydrophobicContact CB-CD1 4.18Å; V188-L210 HydrophobicContact CB-CD2 4.31Å; V188-L210 HydrophobicContact CG1-CD1 3.64Å; V188-L210 HydrophobicContact CG1-CD2 3.84Å; V188-L210 HydrophobicContact CG1-CG 4.41Å; W200-L210 HydrophobicContact CE3-CD1 3.75Å; W200-L210 HydrophobicContact CE3-CD2 4.39Å; W200-L210 HydrophobicContact CE3-CG 4.42Å; W200-L210 HydrophobicContact CH2-CD1 4.38Å; W200-L210 HydrophobicContact CZ3-CD1 3.53Å; W200-L210 HydrophobicContact CZ3-CD2 4.05Å; W200-L210 HydrophobicContact CZ3-CG 3.85Å; A202-L210 HydrophobicContact CB-CD1 3.75Å; P206-L210 PolarHBondContact O-N 2.82Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-L210 PolarHBondContact O-N 3.2Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-N 3.27Å; L210-E213 PolarHBondContact O-N 3.24Å; L210-M214 WeakPolarHBondContact O-CB 3.39Å; L210-M214 PolarHBondContact O-N 3.45Å
211	Q	98.9	Very high	98.6	Very high	13 Å²	13	22 Å²	22	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-38.1	178.2	-72.3	166.5	78.7	0	0	112	L156 R182 F183 V186 A207 R208 I209 D215	L156-Q211 HydrophobicContact CD1-CG 4.02Å; R182-Q211 PolarHBondContact NH1-O 3.29Å; F183-Q211 PolarHBondContact O-NE2 3.2Å; V186-Q211 HydrophobicContact CG1-CG 3.96Å; A207-Q211 WeakPolarHBondContact O-CG 3.42Å; A207-Q211 PolarHBondContact O-N 3.16Å; A207-Q211 VanDerWaalsContact O-N 3.09Å; A207-Q211 PolarHBondContact O-NE2 3.34Å; R208-Q211 PolarHBondContact O-N 2.95Å; I209-Q211 VanDerWaalsContact C-N 3.35Å; I209-Q211 PolarHBondContact O-N 2.89Å; Q211-D215 PolarHBondContact O-N 2.88Å
212	H	98.9	Very high	98.6	Very high	14 Å²	14	16.4 Å²	16.4	7%	0.065	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-48.9	175.4	-173.4	105.4	0	0	0	111.7	E168 C170 R208 I209 L210 M214 D215 H216	E168-H212 IonicContact OE2-CE1 3.88Å; E168-H212 IonicContact OE2-CG 3.62Å; E168-H212 IonicContact OE2-ND1 2.66Å; E168-H212 PolarHBondContact OE2-ND1 2.85Å; C170-H212 PolarHBondContact SG-NE2 2.94Å; R208-H212 PolarHBondContact O-N 2.99Å; I209-H212 WeakPolarHBondContact O-CB 3.33Å; I209-H212 PolarHBondContact O-N 3.2Å; I209-H212 VanDerWaalsContact O-N 3.12Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-N 3.27Å; H212-M214 VanDerWaalsContact C-N 3.32Å; H212-M214 PolarHBondContact O-N 2.95Å; H212-D215 WeakPolarHBondContact O-CB 3.4Å; H212-D215 PolarHBondContact O-N 2.87Å; H212-H216 AromaticContact CD2-CD2 3.63Å; H212-H216 AromaticContact CD2-NE2 3.41Å; H212-H216 PolarHBondContact CD2-NE2 3.06Å; H212-H216 AromaticContact NE2-CD2 3.81Å; H212-H216 AromaticContact NE2-NE2 3.08Å; H212-H216 PolarHBondContact NE2-NE2 2.96Å; H212-H216 PolarHBondContact O-CD2 3.47Å; H212-H216 VanDerWaalsContact O-CD2 3.29Å; H212-H216 PolarHBondContact O-N 2.87Å
213	E	98.8	Very high	98.6	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-69.9	-31.3	179.8	-58.7	-46.8	140.8	0	0	112.6	G108 L109 S110 Q113 L121 I209 L210 H216	G108-E213 VanDerWaalsContact C-CD 3.46Å; G108-E213 VanDerWaalsContact C-OE1 3.26Å; G108-E213 WeakPolarHBondContact CA-OE1 3.4Å; L109-E213 VanDerWaalsContact CA-OE2 3.32Å; L109-E213 WeakPolarHBondContact CA-OE2 3.49Å; L109-E213 PolarHBondContact N-OE2 2.78Å; S110-E213 PolarHBondContact N-OE2 3.17Å; Q113-E213 PolarHBondContact OE1-OE2 3.16Å; L121-E213 HydrophobicContact CB-CB 3.85Å; L121-E213 HydrophobicContact CD2-CB 3.98Å; L121-E213 HydrophobicContact CG-CB 4.35Å; I209-E213 HydrophobicContact CG2-CG 4.21Å; I209-E213 WeakPolarHBondContact O-CG 3.32Å; I209-E213 PolarHBondContact O-N 3.35Å; L210-E213 PolarHBondContact O-N 3.24Å; E213-H216 PolarHBondContact O-N 2.86Å; E213-H216 IonicContact OE2-CD2 3.29Å
214	M	98.8	Very high	98.6	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-43.3	173.9	-173.5	69.5	-94.8	0	0	111.3	L121 P154 L156 L210 H212 H216 L217	L121-M214 HydrophobicContact CD2-CB 4.45Å; P154-M214 HydrophobicContact CB-SD 4.27Å; P154-M214 HydrophobicContact CG-CE 4.24Å; P154-M214 HydrophobicContact CG-SD 4.07Å; L156-M214 HydrophobicContact CB-CG 4.06Å; L156-M214 HydrophobicContact CB-SD 4.21Å; L156-M214 HydrophobicContact CD1-CB 4Å; L156-M214 HydrophobicContact CD1-CG 4.06Å; L210-M214 WeakPolarHBondContact O-CB 3.39Å; L210-M214 PolarHBondContact O-N 3.45Å; H212-M214 VanDerWaalsContact C-N 3.32Å; H212-M214 PolarHBondContact O-N 2.95Å; M214-H216 VanDerWaalsContact C-N 3.28Å; M214-H216 PolarHBondContact O-N 3.33Å; M214-L217 HydrophobicContact CE-CB 3.65Å; M214-L217 HydrophobicContact CE-CD1 3.62Å; M214-L217 HydrophobicContact CE-CG 3.99Å; M214-L217 WeakPolarHBondContact O-CB 3.45Å; M214-L217 PolarHBondContact O-N 3Å
215	D	98.9	Very high	98.6	Very high	14 Å²	14	23.1 Å²	23.1	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-40.8	176.6	-83.3	-20.8	0	0	0	112.3	R182 Q211 H212 L217 D218 G219 V220 R225	R182-D215 IonicContact CZ-OD2 3.02Å; R182-D215 IonicContact NH1-OD2 3.99Å; R182-D215 PolarHBondContact NH1-OD2 2.89Å; R182-D215 IonicContact NH2-OD2 3.96Å; R182-D215 PolarHBondContact NH2-OD2 3.03Å; Q211-D215 PolarHBondContact O-N 2.88Å; H212-D215 WeakPolarHBondContact O-CB 3.4Å; H212-D215 PolarHBondContact O-N 2.87Å; D215-L217 PolarHBondContact O-N 2.91Å; D215-D218 CarbonylContact O-C 3.58Å; D215-D218 PolarHBondContact O-N 2.82Å; D215-G219 PolarHBondContact O-N 3.49Å; D215-V220 CarbonylContact C-O 2.96Å; D215-V220 VanDerWaalsContact C-O 3.25Å; D215-V220 HydrophobicContact CB-CB 3.85Å; D215-V220 HydrophobicContact CB-CG1 4.03Å; D215-V220 PolarHBondContact O-N 3.13Å; D215-R225 VanDerWaalsContact CG-NE 3.32Å; D215-R225 IonicContact OD1-CZ 3.21Å; D215-R225 IonicContact OD1-NE 3.21Å; D215-R225 PolarHBondContact OD1-NE 3.31Å; D215-R225 VanDerWaalsContact OD1-NE 3.13Å; D215-R225 IonicContact OD1-NH2 2.75Å; D215-R225 PolarHBondContact OD1-NH2 3.16Å; D215-R225 WeakPolarHBondContact OD2-CD 3.37Å; D215-R225 IonicContact OD2-CZ 2.79Å; D215-R225 IonicContact OD2-NE 2.97Å; D215-R225 PolarHBondContact OD2-NE 3.48Å; D215-R225 IonicContact OD2-NH2 3.91Å
216	H	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-33.7	177.6	-78.7	-73.1	0	0	0	113	S110 C170 H212 E213 M214 D218 G219 V220 L221	S110-H216 WeakPolarHBondContact OG-CB 3.47Å; C170-H216 PolarHBondContact SG-CE1 3.27Å; C170-H216 PolarHBondContact SG-NE2 3.21Å; H212-H216 AromaticContact CD2-CD2 3.63Å; H212-H216 AromaticContact CD2-NE2 3.41Å; H212-H216 PolarHBondContact CD2-NE2 3.06Å; H212-H216 AromaticContact NE2-CD2 3.81Å; H212-H216 AromaticContact NE2-NE2 3.08Å; H212-H216 PolarHBondContact NE2-NE2 2.96Å; H212-H216 PolarHBondContact O-CD2 3.47Å; H212-H216 VanDerWaalsContact O-CD2 3.29Å; H212-H216 PolarHBondContact O-N 2.87Å; E213-H216 PolarHBondContact O-N 2.86Å; E213-H216 IonicContact OE2-CD2 3.29Å; M214-H216 VanDerWaalsContact C-N 3.28Å; M214-H216 PolarHBondContact O-N 3.33Å; H216-D218 PolarHBondContact O-N 3.3Å; H216-G219 PolarHBondContact O-N 3.29Å; H216-V220 PolarHBondContact N-O 3.32Å; H216-L221 VanDerWaalsContact CE1-CD2 3.42Å; H216-L221 WeakPolarHBondContact CE1-CD2 3.2Å
217	L	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.9	-16.6	178.4	-53.9	-172.7	0	0	0	112.7	A77 P112 R119 L121 P154 M214 D215	A77-L217 HydrophobicContact CB-CB 4.41Å; A77-L217 WeakPolarHBondContact CB-O 3.37Å; A77-L217 PolarHBondContact N-O 3.2Å; P112-L217 HydrophobicContact CG-CD2 4.11Å; R119-L217 HydrophobicContact CB-CD1 4.14Å; R119-L217 PolarHBondContact NH1-O 3.46Å; L121-L217 HydrophobicContact CB-CD1 4.45Å; L121-L217 HydrophobicContact CD2-CD1 3.91Å; L121-L217 HydrophobicContact CG-CD1 4.38Å; P154-L217 HydrophobicContact CG-CD1 3.42Å; P154-L217 VanDerWaalsContact CG-CD1 3.42Å; M214-L217 HydrophobicContact CE-CB 3.65Å; M214-L217 HydrophobicContact CE-CD1 3.62Å; M214-L217 HydrophobicContact CE-CG 3.99Å; M214-L217 WeakPolarHBondContact O-CB 3.45Å; M214-L217 PolarHBondContact O-N 3Å; D215-L217 PolarHBondContact O-N 2.91Å
218	D	98.8	Very high	98.6	Very high	60 Å²	60	30.1 Å²	30.1	32%	0.321	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.1	175.9	-64.1	-45.9	0	0	0	112.4	R76 R119 D215 H216 V220	R76-D218 IonicContact NE-OD1 3.28Å; R76-D218 PolarHBondContact NE-OD1 2.93Å; R119-D218 IonicContact CZ-OD1 3.78Å; R119-D218 IonicContact NH1-OD1 3.84Å; R119-D218 PolarHBondContact NH1-OD1 3.16Å; R119-D218 IonicContact NH2-OD1 3Å; R119-D218 IonicContact NH2-OD2 3.69Å; D215-D218 CarbonylContact O-C 3.58Å; D215-D218 PolarHBondContact O-N 2.82Å; H216-D218 PolarHBondContact O-N 3.3Å; D218-V220 VanDerWaalsContact C-N 3.3Å; D218-V220 PolarHBondContact O-N 3.16Å
219	G	98.5	Very high	98.5	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	18.6	177	0	0	0	0	0	114.4	L73 R74 D215 H216	L73-G219 CarbonylContact O-C 3.25Å; L73-G219 WeakPolarHBondContact O-CA 3.36Å; R74-G219 WeakPolarHBondContact CD-O 3.48Å; R74-G219 PolarHBondContact NH1-O 3.16Å; D215-G219 PolarHBondContact O-N 3.49Å; H216-G219 PolarHBondContact O-N 3.29Å
220	V	98.8	Very high	98.5	Very high	36 Å²	36	41.8 Å²	41.8	22%	0.218	21%	0.206	C	C	.	.			trans	-100.5	133.2	-179.5	179.1	0	0	0	0	109.2	D215 H216 D218 D224 R225	D215-V220 CarbonylContact C-O 2.96Å; D215-V220 VanDerWaalsContact C-O 3.25Å; D215-V220 HydrophobicContact CB-CB 3.85Å; D215-V220 HydrophobicContact CB-CG1 4.03Å; D215-V220 PolarHBondContact O-N 3.13Å; H216-V220 PolarHBondContact N-O 3.32Å; D218-V220 VanDerWaalsContact C-N 3.3Å; D218-V220 PolarHBondContact O-N 3.16Å; V220-D224 HydrophobicContact CG1-CB 4.23Å; V220-R225 HydrophobicContact CG1-CG 4.45Å
221	L	98.8	Very high	98.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.			trans	-108.6	159.7	173.8	-60.4	-179.6	0	0	0	109.4	V68 H216 L223 D224	V68-L221 HydrophobicContact CB-CD1 4.22Å; V68-L221 HydrophobicContact CG2-CD1 3.81Å; H216-L221 VanDerWaalsContact CE1-CD2 3.42Å; H216-L221 WeakPolarHBondContact CE1-CD2 3.2Å; L221-L223 HydrophobicContact CB-CB 4.46Å; L221-L223 PolarHBondContact O-N 3.26Å; L221-D224 PolarHBondContact N-OD2 3.04Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.34Å
222	F	98.6	Very high	98.4	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-57.9	-25.7	176.2	85.4	-88.7	0	0	0	112.8	C170 V173 A178 V180 D224 R225 M226 F231	C170-F222 HydrophobicContact CB-CD1 3.63Å; C170-F222 HydrophobicContact CB-CE1 3.68Å; V173-F222 HydrophobicContact CB-CE1 3.83Å; V173-F222 HydrophobicContact CB-CZ 4.43Å; V173-F222 HydrophobicContact CG1-CE1 4.26Å; V173-F222 HydrophobicContact CG1-CZ 4.42Å; V173-F222 HydrophobicContact CG2-CD1 4.45Å; V173-F222 HydrophobicContact CG2-CE1 3.79Å; A178-F222 HydrophobicContact CB-CD2 4.39Å; A178-F222 HydrophobicContact CB-CE2 3.89Å; V180-F222 HydrophobicContact CG2-CB 4.03Å; V180-F222 HydrophobicContact CG2-CD2 3.92Å; V180-F222 HydrophobicContact CG2-CG 4.45Å; F222-D224 PolarHBondContact O-N 3.42Å; F222-R225 PolarHBondContact O-N 3.21Å; F222-M226 HydrophobicContact CD2-CB 4.38Å; F222-M226 HydrophobicContact CD2-SD 4.49Å; F222-M226 HydrophobicContact CE2-SD 4.15Å; F222-M226 WeakPolarHBondContact O-CB 3.34Å; F222-M226 PolarHBondContact O-N 3.12Å; F222-F231 HydrophobicContact CZ-CE2 4.47Å
223	L	98.3	Very high	98.4	Very high	44 Å²	44	49.7 Å²	49.7	23%	0.23	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56.5	-29.1	173.9	-63.3	177	0	0	0	113.1	V68 V173 L221 R225 M226 F231	V68-L223 HydrophobicContact CG2-CD1 4.41Å; V173-L223 HydrophobicContact CG1-CD1 4.22Å; V173-L223 HydrophobicContact CG1-CD2 4.41Å; V173-L223 HydrophobicContact CG2-CD1 3.97Å; V173-L223 HydrophobicContact CG2-CG 4.31Å; L221-L223 HydrophobicContact CB-CB 4.46Å; L221-L223 PolarHBondContact O-N 3.26Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.81Å; L223-M226 HydrophobicContact CD2-SD 3.8Å; L223-F231 HydrophobicContact CD2-CD2 4.14Å; L223-F231 HydrophobicContact CD2-CE2 3.61Å; L223-F231 HydrophobicContact CD2-CZ 4.37Å
224	D	98.4	Very high	98.2	Very high	81 Å²	81	53.5 Å²	53.5	43%	0.433	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-83.9	-10.6	-178.5	-44.8	-48.1	0	0	0	112.2	R74 V220 L221 F222	R74-D224 IonicContact CZ-OD1 3.51Å; R74-D224 IonicContact CZ-OD2 3.59Å; R74-D224 VanDerWaalsContact NH1-CG 3.32Å; R74-D224 IonicContact NH1-OD1 3.5Å; R74-D224 PolarHBondContact NH1-OD1 3.02Å; R74-D224 IonicContact NH1-OD2 2.66Å; R74-D224 PolarHBondContact NH1-OD2 3.04Å; R74-D224 IonicContact NH2-OD1 2.86Å; R74-D224 PolarHBondContact NH2-OD1 3.5Å; R74-D224 IonicContact NH2-OD2 3.7Å; V220-D224 HydrophobicContact CG1-CB 4.23Å; L221-D224 PolarHBondContact N-OD2 3.04Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.34Å; F222-D224 PolarHBondContact O-N 3.42Å
225	R	98	Very high	97.9	Very high	120 Å²	120	55.7 Å²	55.7	45%	0.453	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-14	-177.3	-62	-173.2	-179.6	-80.9	4.6	114.2	V180 P181 D215 V220 F222 L223	V180-R225 HydrophobicContact CG1-CB 3.93Å; P181-R225 WeakPolarHBondContact CD-O 3.3Å; D215-R225 VanDerWaalsContact CG-NE 3.32Å; D215-R225 IonicContact OD1-CZ 3.21Å; D215-R225 IonicContact OD1-NE 3.21Å; D215-R225 PolarHBondContact OD1-NE 3.31Å; D215-R225 VanDerWaalsContact OD1-NE 3.13Å; D215-R225 IonicContact OD1-NH2 2.75Å; D215-R225 PolarHBondContact OD1-NH2 3.16Å; D215-R225 WeakPolarHBondContact OD2-CD 3.37Å; D215-R225 IonicContact OD2-CZ 2.79Å; D215-R225 IonicContact OD2-NE 2.97Å; D215-R225 PolarHBondContact OD2-NE 3.48Å; D215-R225 IonicContact OD2-NH2 3.91Å; V220-R225 HydrophobicContact CG1-CG 4.45Å; F222-R225 PolarHBondContact O-N 3.21Å; L223-R225 VanDerWaalsContact C-N 3.31Å
226	M	98.3	Very high	97.6	Very high	43 Å²	43	60.4 Å²	60.4	21%	0.212	29%	0.293	C	S	.	.	S	Bend	trans	-68.2	154.7	-172.2	67	179.6	-179.3	0	0	113.7	A178 A179 V180 F222 L223 S228 F231	A178-M226 HydrophobicContact CB-CB 3.62Å; A178-M226 HydrophobicContact CB-CG 4.07Å; A178-M226 HydrophobicContact CB-SD 3.44Å; A178-M226 WeakPolarHBondContact CB-SD 3.41Å; A179-M226 CarbonylContact O-C 3.48Å; A179-M226 WeakPolarHBondContact O-CA 3.41Å; V180-M226 HydrophobicContact CG2-CB 3.97Å; F222-M226 HydrophobicContact CD2-CB 4.38Å; F222-M226 HydrophobicContact CD2-SD 4.49Å; F222-M226 HydrophobicContact CE2-SD 4.15Å; F222-M226 WeakPolarHBondContact O-CB 3.34Å; F222-M226 PolarHBondContact O-N 3.12Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.81Å; L223-M226 HydrophobicContact CD2-SD 3.8Å; M226-S228 PolarHBondContact O-N 3.06Å; M226-S228 VanDerWaalsContact O-N 3.16Å; M226-F231 HydrophobicContact CE-CB 4.23Å; M226-F231 HydrophobicContact CE-CD2 3.94Å; M226-F231 HydrophobicContact CE-CG 4.16Å; M226-F231 HydrophobicContact SD-CB 4.1Å; M226-F231 HydrophobicContact SD-CD2 3.61Å; M226-F231 HydrophobicContact SD-CE2 4.41Å; M226-F231 HydrophobicContact SD-CG 4.18Å
227	D	98.3	Very high	97.2	Very high	67 Å²	67	63.9 Å²	63.9	36%	0.358	31%	0.309	S	S	.	.			trans	-71.3	102	155.6	-179.7	-6.4	0	0	0	108.8	A179 R229 T230	A179-D227 PolarHBondContact O-N 3.19Å; D227-R229 PolarHBondContact O-N 3.14Å; D227-R229 PolarHBondContact OD1-N 3.47Å; D227-T230 HydrophobicContact CB-CG2 4.1Å; D227-T230 PolarHBondContact O-N 3.32Å; D227-T230 PolarHBondContact O-OG1 3.26Å
228	S	97.8	Very high	96.9	Very high	85 Å²	85	70.2 Å²	70.2	59%	0.594	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-53.9	-27.2	-177.1	63	0	0	0	0	114.8	M226 T230 F231	M226-S228 PolarHBondContact O-N 3.06Å; M226-S228 VanDerWaalsContact O-N 3.16Å; S228-T230 PolarHBondContact O-N 2.8Å; S228-F231 WeakPolarHBondContact O-CB 3.44Å; S228-F231 PolarHBondContact O-N 3.29Å
229	R	97.8	Very high	96.3	Very high	225 Å²	225	73.3 Å²	73.3	85%	0.849	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15	178.8	-63.9	179.3	61.2	86.3	3.2	113.1	D227	D227-R229 PolarHBondContact O-N 3.14Å; D227-R229 PolarHBondContact OD1-N 3.47Å
230	T	98	Very high	95.9	Very high	39 Å²	39	79 Å²	79	24%	0.239	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-100.2	3.3	179.1	68.7	0	0	0	0	112.7	A179 D227 S228 I232	A179-T230 HydrophobicContact CB-CG2 3.95Å; A179-T230 VanDerWaalsContact CB-OG1 3.25Å; A179-T230 WeakPolarHBondContact CB-OG1 3.48Å; A179-T230 PolarHBondContact N-OG1 3.39Å; D227-T230 HydrophobicContact CB-CG2 4.1Å; D227-T230 PolarHBondContact O-N 3.32Å; D227-T230 PolarHBondContact O-OG1 3.26Å; S228-T230 PolarHBondContact O-N 2.8Å; T230-I232 PolarHBondContact O-N 3.18Å
231	F	98.4	Very high	94.9	Very high	79 Å²	79	87.4 Å²	87.4	35%	0.346	42%	0.417	S	S	.	.			trans	-69.3	117.6	176.8	-174.9	-107.1	0	0	0	110.6	F176 S177 A178 F222 L223 M226 S228	F176-F231 HydrophobicContact CB-CD2 4.42Å; F176-F231 HydrophobicContact CB-CE1 4.48Å; F176-F231 HydrophobicContact CB-CE2 3.47Å; F176-F231 VanDerWaalsContact CB-CE2 3.47Å; F176-F231 HydrophobicContact CB-CZ 3.51Å; F176-F231 HydrophobicContact CD1-CD1 4.4Å; F176-F231 AromaticContact CD1-CE1 3.51Å; F176-F231 HydrophobicContact CD1-CE1 3.51Å; F176-F231 HydrophobicContact CD1-CE2 4.07Å; F176-F231 AromaticContact CD1-CZ 3.31Å; F176-F231 HydrophobicContact CD1-CZ 3.31Å; F176-F231 HydrophobicContact CD2-CZ 4.23Å; F176-F231 AromaticContact CE1-CE1 3.94Å; F176-F231 HydrophobicContact CE1-CE1 3.94Å; F176-F231 HydrophobicContact CE1-CZ 4.05Å; F176-F231 HydrophobicContact CG-CE1 4.12Å; F176-F231 AromaticContact CG-CE2 3.95Å; F176-F231 HydrophobicContact CG-CE2 3.95Å; F176-F231 AromaticContact CG-CZ 3.41Å; F176-F231 HydrophobicContact CG-CZ 3.41Å; F176-F231 VanDerWaalsContact CG-CZ 3.41Å; S177-F231 WeakPolarHBondContact O-CA 3.45Å; A178-F231 HydrophobicContact CB-CB 4.22Å; A178-F231 HydrophobicContact CB-CD2 4.12Å; F222-F231 HydrophobicContact CZ-CE2 4.47Å; L223-F231 HydrophobicContact CD2-CD2 4.14Å; L223-F231 HydrophobicContact CD2-CE2 3.61Å; L223-F231 HydrophobicContact CD2-CZ 4.37Å; M226-F231 HydrophobicContact CE-CB 4.23Å; M226-F231 HydrophobicContact CE-CD2 3.94Å; M226-F231 HydrophobicContact CE-CG 4.16Å; M226-F231 HydrophobicContact SD-CB 4.1Å; M226-F231 HydrophobicContact SD-CD2 3.61Å; M226-F231 HydrophobicContact SD-CE2 4.41Å; M226-F231 HydrophobicContact SD-CG 4.18Å; S228-F231 WeakPolarHBondContact O-CB 3.44Å; S228-F231 PolarHBondContact O-N 3.29Å
232	I	97.5	Very high	94.7	Very high	64 Å²	64	91.8 Å²	91.8	33%	0.328	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150	-175.2	62	172.4	0	0	0	111.3	F176 S177 T230	F176-I232 VanDerWaalsContact CA-O 3.31Å; F176-I232 WeakPolarHBondContact CA-O 3.18Å; S177-I232 PolarHBondContact N-O 2.69Å; S177-I232 PolarHBondContact O-N 2.96Å; S177-I232 WeakPolarHBondContact OG-CG1 3.31Å; T230-I232 PolarHBondContact O-N 3.18Å
233	N	97.3	Very high	94.5	Very high	51 Å²	51	96.5 Å²	96.5	27%	0.273	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.2	162.4	-178	-47.3	0	0	0	108.3	G175 F176 N235 W236	G175-N233 WeakPolarHBondContact O-CA 3.47Å; F176-N233 HydrophobicContact CD1-CB 4.25Å; F176-N233 HydrophobicContact CE1-CB 4.02Å; N233-N235 PolarHBondContact O-N 2.8Å; N233-N235 WeakPolarHBondContact OD1-CA 3.45Å; N233-N235 WeakPolarHBondContact OD1-CB 3.46Å; N233-N235 PolarHBondContact OD1-N 3.29Å; N233-W236 HydrophobicContact CB-CB 4.47Å; N233-W236 WeakPolarHBondContact O-CB 3.38Å; N233-W236 PolarHBondContact O-N 2.76Å; N233-W236 VanDerWaalsContact O-N 3.16Å
234	I	94.9	Very high	94.3	Very high	91 Å²	91	99.4 Å²	99.4	47%	0.467	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.9	-175.6	64.2	179.5	0	0	0	113.3	G175	G175-I234 PolarHBondContact O-N 3.38Å
235	N	93.6	Very high	94.1	Very high	62 Å²	62	100.5 Å²	100.5	33%	0.332	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.5	179.4	-55	-24	0	0	0	112.4	N233 Q237 E238 H239	N233-N235 PolarHBondContact O-N 2.8Å; N233-N235 WeakPolarHBondContact OD1-CA 3.45Å; N233-N235 WeakPolarHBondContact OD1-CB 3.46Å; N233-N235 PolarHBondContact OD1-N 3.29Å; N235-Q237 PolarHBondContact O-N 3.32Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; N235-E238 PolarHBondContact O-N 3.23Å; N235-E238 VanDerWaalsContact O-N 3.16Å; N235-H239 PolarHBondContact O-CD2 2.87Å; N235-H239 VanDerWaalsContact O-CD2 3.3Å; N235-H239 PolarHBondContact O-N 3.38Å
236	W	91.8	Very high	93.9	Very high	114 Å²	114	99.3 Å²	99.3	43%	0.432	48%	0.477	S	S	.	.	H	α-helix	trans	-57.6	-32.2	-175	76.3	-98.2	0	0	0	113.1	N233 H239 N240	N233-W236 HydrophobicContact CB-CB 4.47Å; N233-W236 WeakPolarHBondContact O-CB 3.38Å; N233-W236 PolarHBondContact O-N 2.76Å; N233-W236 VanDerWaalsContact O-N 3.16Å; W236-H239 PolarHBondContact O-N 3.43Å; W236-N240 PolarHBondContact O-N 2.97Å; W236-N240 PolarHBondContact O-ND2 3.35Å
237	Q	90.9	Very high	93.6	Very high	72 Å²	72	103.1 Å²	103.1	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-66	-49.4	178.4	-67.3	-179.6	-28	0	0	110.7	N235 H239 N240 E241	N235-Q237 PolarHBondContact O-N 3.32Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; Q237-H239 PolarHBondContact O-N 2.79Å; Q237-H239 VanDerWaalsContact O-N 3.16Å; Q237-N240 PolarHBondContact O-N 2.88Å; Q237-E241 WeakPolarHBondContact O-CG 3.43Å; Q237-E241 PolarHBondContact O-N 3.5Å; Q237-E241 VanDerWaalsContact O-N 3.14Å
238	E	91.4	Very high	93.2	Very high	134 Å²	134	105.6 Å²	105.6	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-27.8	179.1	-58.3	-179.4	174.2	0	0	113.2	N235	N235-E238 PolarHBondContact O-N 3.23Å; N235-E238 VanDerWaalsContact O-N 3.16Å
239	H	87.3	Confident	92.9	Very high	124 Å²	124	107.2 Å²	107.2	57%	0.574	50%	0.498	S	S	*	.	H	α-helix	trans	-78.2	-21.9	177.2	-67.2	-39.8	0	0	0	113.9	N235 W236 Q237	N235-H239 PolarHBondContact O-CD2 2.87Å; N235-H239 VanDerWaalsContact O-CD2 3.3Å; N235-H239 PolarHBondContact O-N 3.38Å; W236-H239 PolarHBondContact O-N 3.43Å; Q237-H239 PolarHBondContact O-N 2.79Å; Q237-H239 VanDerWaalsContact O-N 3.16Å
240	N	89.9	Confident	92.5	Very high	126 Å²	126	97.4 Å²	97.4	67%	0.674	47%	0.469	S	S	*	.	H	α-helix	trans	-105.7	-6	-174.5	-69.7	-20.9	0	0	0	113.1	W236 Q237	W236-N240 PolarHBondContact O-N 2.97Å; W236-N240 PolarHBondContact O-ND2 3.35Å; Q237-N240 PolarHBondContact O-N 2.88Å
241	E	78.6	Confident	92	Very high	213 Å²	213	102.7 Å²	102.7	100%	0.995	49%	0.489	S	S	*	.			trans	-82	0	168.3	-71.4	178.1	-176.8	0	0	111.4	Q237	Q237-E241 WeakPolarHBondContact O-CG 3.43Å; Q237-E241 PolarHBondContact O-N 3.5Å; Q237-E241 VanDerWaalsContact O-N 3.14Å

Retrieved 241 of 241 residues in 351.7 ms (Link to these results)

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