A0A096MWH2_PAPAN Loading...

D-beta-hydroxybutyrate dehydrogenase, mitochondrial

AlphaFold DB (A0A5F8A2X7), UniProt , Accession A0A096MWH2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 366 aa.

Structure Viewer

Loading PAE data...

(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	37.2	Very low	27.3	Very low	242 Å²	242	177.9 Å²	177.9	100%	1.192	87%	0.865	S	S	*	*				0	108.7	0	-74.7	171.3	171	0	0	105.5
2	L	29	Very low	27.3	Very low	162 Å²	162	169.3 Å²	169.3	85%	0.848	86%	0.858	S	S	*	*			cis	-134.3	127.9	45.1	-126.6	74.7	0	0	0	108.4
3	R	23.5	Very low	27.3	Very low	233 Å²	233	174 Å²	174	88%	0.879	86%	0.859	S	S	*	*			trans	-106.2	113.1	170.5	-96.1	-178.7	172.8	177.5	-2.9	107.3	R5	R3-R5 PolarHBondContact O-N 3.01Å
4	V	27.8	Very low	27.4	Very low	122 Å²	122	173.6 Å²	173.6	74%	0.739	86%	0.862	S	S	*	*			trans	-87.4	104.6	170.1	-179.5	0	0	0	0	107.8	L6	V4-L6 HydrophobicContact CG1-CD1 4.31Å
5	R	24.5	Very low	27.3	Very low	230 Å²	230	177.7 Å²	177.7	87%	0.868	86%	0.863	S	S	*	*			trans	-82.6	113.6	168.5	-87.1	179.6	172.1	175.5	-2.6	108.2	R3	R3-R5 PolarHBondContact O-N 3.01Å
6	L	25.5	Very low	27.4	Very low	147 Å²	147	172.6 Å²	172.6	77%	0.77	86%	0.86	S	S	*	*			trans	-83.3	117.4	161	-94.3	102.2	0	0	0	109.1	V4	V4-L6 HydrophobicContact CG1-CD1 4.31Å
7	C	24.6	Very low	27.8	Very low	128 Å²	128	172.4 Å²	172.4	87%	0.865	86%	0.86	S	S	*	*			trans	-91.4	111.2	173.1	-157.9	0	0	0	0	108
8	F	24.8	Very low	27.9	Very low	185 Å²	185	171.7 Å²	171.7	81%	0.811	86%	0.858	S	S	*	*			trans	-79.9	117.6	170.3	-92.6	-90.9	0	0	0	109
9	R	24.7	Very low	28.1	Very low	241 Å²	241	168.1 Å²	168.1	91%	0.909	85%	0.848	S	S	*	*			trans	-104.4	105.9	166.3	-144.7	177.4	-171	-173.9	2.2	107.9
10	T	28.6	Very low	28.4	Very low	129 Å²	129	165.5 Å²	165.5	79%	0.791	84%	0.844	S	S	*	*			trans	-72.1	122.4	173.4	38.6	0	0	0	0	109.8
11	T	30.1	Very low	28.7	Very low	138 Å²	138	164.5 Å²	164.5	85%	0.847	85%	0.845	S	S	*	*			trans	-135.6	119	152.6	41.1	0	0	0	0	107.5
12	G	27.7	Very low	28.3	Very low	75 Å²	75	157.4 Å²	157.4	77%	0.773	83%	0.825	S	S	*	*			trans	-73.5	154.9	-166.4	0	0	0	0	0	114
13	R	27	Very low	28.5	Very low	230 Å²	230	155.6 Å²	155.6	87%	0.868	82%	0.821	S	S	*	*			trans	-155.4	120.2	148.1	-102.4	169.5	-159.4	-148.5	3.9	107.5	W15	R13-W15 PolarHBondContact O-N 2.76Å
14	N	28.5	Very low	28.7	Very low	169 Å²	169	153.4 Å²	153.4	90%	0.904	82%	0.823	S	S	*	*			trans	-52.8	127	175.4	-74.9	-19.4	0	0	0	110.7
15	W	26.3	Very low	28.8	Very low	234 Å²	234	155.7 Å²	155.7	89%	0.886	83%	0.83	S	S	*	*			trans	-120.4	117.1	162	-76	90.1	0	0	0	108.7	R13	R13-W15 PolarHBondContact O-N 2.76Å
16	A	28.8	Very low	29.3	Very low	97 Å²	97	148.9 Å²	148.9	80%	0.802	82%	0.824	S	S	*	*			trans	-60.1	139.8	173.3	0	0	0	0	0	110.6
17	I	34.1	Very low	29.7	Very low	168 Å²	168	147.9 Å²	147.9	86%	0.862	82%	0.824	S	S	*	*			trans	-72.2	124	172.8	-63.5	163.8	0	0	0	108.2
18	L	29.1	Very low	30.3	Very low	160 Å²	160	153.1 Å²	153.1	84%	0.838	83%	0.825	S	S	*	*			trans	-157.2	144.1	155.9	-97.1	164.7	0	0	0	109.2
19	P	32.6	Very low	30.7	Very low	103 Å²	103	149.7 Å²	149.7	67%	0.669	82%	0.815	S	S	*	*			trans	-91.5	158.8	-165.4	36.6	-33.6	0	0	0	112.9
20	P	34.6	Very low	31.3	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	81%	0.81	S	S	*	*			trans	-116.4	91.3	162	35.2	-20.7	0	0	0	110.9
21	V	33.2	Very low	31.8	Very low	144 Å²	144	146.7 Å²	146.7	87%	0.873	81%	0.807	S	S	*	*			trans	-117	72.4	159	-174.3	0	0	0	0	107.2
22	A	30.1	Very low	31.8	Very low	93 Å²	93	145.6 Å²	145.6	77%	0.769	80%	0.802	S	S	*	*	S	Bend	trans	-162	-17.9	170.2	0	0	0	0	0	115
23	T	32.4	Very low	32.2	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	80%	0.798	S	S	*	*	S	Bend	trans	-101.3	9.1	-168.1	-31.6	0	0	0	0	115.3
24	M	28.8	Very low	32.7	Very low	186 Å²	186	142.2 Å²	142.2	92%	0.916	79%	0.791	S	S	*	*	S	Bend	trans	-91.9	-1.3	-175.3	-108.3	-172.2	171	0	0	116.2
25	L	29.4	Very low	32.9	Very low	170 Å²	170	145.3 Å²	145.3	89%	0.89	79%	0.79	S	S	*	*	S	Bend	trans	-97.4	0.9	-171.9	-116	90.2	0	0	0	116.9
26	A	34	Very low	33.3	Very low	88 Å²	88	140.7 Å²	140.7	73%	0.727	78%	0.782	S	S	*	*	S	Bend	trans	-104.3	2	-166.7	0	0	0	0	0	117.4
27	T	35.3	Very low	33.4	Very low	126 Å²	126	142 Å²	142	77%	0.773	78%	0.782	S	S	*	*	S	Bend	trans	-131.3	23.2	-166.7	46	0	0	0	0	118
28	R	36	Very low	33.3	Very low	238 Å²	238	137.8 Å²	137.8	90%	0.898	78%	0.78	S	S	*	*			trans	-146.1	52.3	166.3	-73.3	-164.6	177.2	-145.4	0.6	114.8
29	L	33.1	Very low	33.3	Very low	112 Å²	112	139.7 Å²	139.7	59%	0.586	78%	0.781	S	S	*	*			trans	-99.9	109.5	165.3	-73.3	167.9	0	0	0	109.7	R31 L33	L29-R31 PolarHBondContact O-N 2.87Å; L29-L33 HydrophobicContact CD1-CD1 3.96Å
30	S	38.3	Very low	33.2	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	79%	0.793	S	S	*	*			trans	-84.3	18.3	176.9	-53.6	0	0	0	0	113.8
31	R	38.3	Very low	32.8	Very low	192 Å²	192	144.7 Å²	144.7	73%	0.725	80%	0.801	S	S	*	*	S	Bend	trans	-141.9	139.4	173	-80.1	-172.4	171	-176.2	-1.3	111.2	L29	L29-R31 PolarHBondContact O-N 2.87Å
32	P	31.1	Very low	32.4	Very low	115 Å²	115	143.2 Å²	143.2	75%	0.747	80%	0.797	S	S	*	*			trans	-73.2	132.6	-178.6	28.2	-31.4	0	0	0	111.7	S34	P32-S34 PolarHBondContact O-N 2.74Å
33	L	35.1	Very low	32.3	Very low	131 Å²	131	143.6 Å²	143.6	69%	0.686	80%	0.8	S	S	*	*			trans	-71.6	29.4	176.5	-91.6	155.4	0	0	0	114.1	L29 R35 L36	L29-L33 HydrophobicContact CD1-CD1 3.96Å; L33-R35 PolarHBondContact O-N 2.81Å; L33-R35 VanDerWaalsContact O-N 3.13Å; L33-L36 HydrophobicContact CD2-CD1 4.27Å
34	S	37.8	Very low	32	Very low	103 Å²	103	143 Å²	143	72%	0.72	80%	0.799	S	S	*	*			trans	-81.4	14.4	-170.6	59.3	0	0	0	0	115.8	P32	P32-S34 PolarHBondContact O-N 2.74Å
35	R	33.4	Very low	31.9	Very low	234 Å²	234	142.3 Å²	142.3	88%	0.883	80%	0.8	S	S	*	*			trans	-136.7	53.5	179.8	-72.9	-166.9	178.5	-165.6	0.6	113.9	L33	L33-R35 PolarHBondContact O-N 2.81Å; L33-R35 VanDerWaalsContact O-N 3.13Å
36	L	33.7	Very low	32	Very low	136 Å²	136	145.2 Å²	145.2	71%	0.712	80%	0.799	S	S	*	*	S	Bend	trans	-128.5	129.3	160.2	-74.6	169.4	0	0	0	109.7	L33 G38	L33-L36 HydrophobicContact CD2-CD1 4.27Å; L36-G38 PolarHBondContact O-N 2.76Å
37	P	31.8	Very low	31.8	Very low	124 Å²	124	149.5 Å²	149.5	81%	0.805	80%	0.804	S	S	*	*			trans	-69.3	121.7	177.4	27	-30.4	0	0	0	109.5	K39	P37-K39 PolarHBondContact O-N 2.91Å
38	G	31.1	Very low	31.5	Very low	80 Å²	80	150.9 Å²	150.9	83%	0.825	81%	0.806	S	S	*	*			trans	-66.2	111.6	-179.2	0	0	0	0	0	111.8	L36	L36-G38 PolarHBondContact O-N 2.76Å
39	K	29	Very low	31.8	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	81%	0.807	S	S	*	*			trans	-117	110.4	152.8	-74.9	-172.7	177.9	-178.2	0	107.5	P37 L41	P37-K39 PolarHBondContact O-N 2.91Å; K39-L41 PolarHBondContact O-N 3Å
40	T	31.3	Very low	31.7	Very low	147 Å²	147	142.9 Å²	142.9	90%	0.902	82%	0.816	S	S	*	*			trans	-62.8	112.4	174.9	8.6	0	0	0	0	109.4	S42	T40-S42 PolarHBondContact O-N 2.72Å
41	L	26.1	Very low	31.4	Very low	178 Å²	178	149.6 Å²	149.6	93%	0.932	82%	0.824	S	S	*	*			trans	-78.9	112.6	162.9	-81.3	161	0	0	0	107.6	K39	K39-L41 PolarHBondContact O-N 3Å
42	S	25.6	Very low	31	Very low	114 Å²	114	151.5 Å²	151.5	80%	0.797	83%	0.831	S	S	*	*			trans	-86.5	115	170.1	-178	0	0	0	0	108.2	T40	T40-S42 PolarHBondContact O-N 2.72Å
43	A	26.9	Very low	30.9	Very low	100 Å²	100	151.7 Å²	151.7	83%	0.826	83%	0.832	S	S	*	*			trans	-96.9	119.9	163.6	0	0	0	0	0	107.5
44	C	26	Very low	30.6	Very low	112 Å²	112	152.6 Å²	152.6	76%	0.757	84%	0.837	S	S	*	*			trans	-107.9	108.9	174.2	-164.9	0	0	0	0	106.8
45	D	27.6	Very low	30.3	Very low	172 Å²	172	155.7 Å²	155.7	92%	0.92	84%	0.844	S	S	*	*			trans	-105.1	127.9	162.7	-99.2	-30.4	0	0	0	108.9
46	R	30.4	Very low	30.3	Very low	232 Å²	232	151.4 Å²	151.4	88%	0.875	84%	0.838	S	S	*	*			trans	-114.9	92.5	-166.5	-167.6	-173.9	-163.4	-175.6	4.7	107.4
47	E	29.7	Very low	30.1	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	83%	0.834	S	S	*	*			trans	-157	130.5	157.1	-116.8	174.2	-163.8	0	0	112.5
48	N	30.4	Very low	30	Very low	155 Å²	155	147 Å²	147	83%	0.829	83%	0.832	S	S	*	*			trans	72.7	100.6	167.5	-61.8	-25.5	0	0	0	118.8	A50	N48-A50 PolarHBondContact O-N 3.32Å
49	G	41.6	Very low	30.1	Very low	88 Å²	88	148.5 Å²	148.5	91%	0.907	83%	0.825	S	S	*	*			trans	-67.7	120.1	174.9	0	0	0	0	0	113.4
50	A	30.8	Very low	30.2	Very low	95 Å²	95	143.6 Å²	143.6	79%	0.785	82%	0.816	S	S	*	*			trans	-154.6	110.5	146.8	0	0	0	0	0	107.8	N48 R52	N48-A50 PolarHBondContact O-N 3.32Å; A50-R52 PolarHBondContact O-N 3.29Å
51	R	32.1	Very low	30.3	Very low	256 Å²	256	145.6 Å²	145.6	97%	0.966	81%	0.812	S	S	*	*			trans	-74.8	110.8	174.7	-75.7	-178.3	177	-179	-0.3	109.2
52	R	29.7	Very low	30.7	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	80%	0.802	S	S	*	*			trans	-125	121.5	152.5	-78.1	-173.1	174	-159.7	-1	107.6	A50 L54	A50-R52 PolarHBondContact O-N 3.29Å; R52-L54 PolarHBondContact O-N 3.07Å
53	P	29.5	Very low	31.2	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	80%	0.798	S	S	*	*			trans	-70.4	109.2	172.9	28.6	-27.9	0	0	0	107.1	L55	P53-L55 VanDerWaalsContact C-N 3.33Å; P53-L55 PolarHBondContact O-N 3.06Å
54	L	28.4	Very low	31.9	Very low	150 Å²	150	145.2 Å²	145.2	79%	0.785	80%	0.798	S	S	*	*			trans	-72.2	98.2	166	-135.6	133.8	0	0	0	105.3	R52 L56	R52-L54 PolarHBondContact O-N 3.07Å; L54-L56 HydrophobicContact CD2-CD1 3.83Å; L54-L56 PolarHBondContact O-N 2.79Å
55	L	31.8	Very low	32.3	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	79%	0.792	S	S	*	*			trans	-62.2	83.2	166.7	-82.9	156.7	0	0	0	107.2	P53 G57	P53-L55 VanDerWaalsContact C-N 3.33Å; P53-L55 PolarHBondContact O-N 3.06Å; L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.03Å
56	L	32.5	Very low	32.7	Very low	144 Å²	144	145.5 Å²	145.5	75%	0.754	79%	0.79	S	S	*	*			trans	-62.8	104.6	154.7	-93.2	93.8	0	0	0	104.9	L54 S58	L54-L56 HydrophobicContact CD2-CD1 3.83Å; L54-L56 PolarHBondContact O-N 2.79Å; L56-S58 PolarHBondContact O-N 3.49Å
57	G	29.2	Very low	33.2	Very low	61 Å²	61	143.7 Å²	143.7	63%	0.629	78%	0.783	S	S	*	*			trans	-47.3	118.7	169.1	0	0	0	0	0	107.7	L55 T59	L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.03Å; G57-T59 PolarHBondContact O-N 3.35Å
58	S	31.3	Very low	33.6	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	78%	0.778	S	S	*	*			trans	-64.1	85.4	169.3	53	0	0	0	0	106.7	L56 S60	L56-S58 PolarHBondContact O-N 3.49Å; S58-S60 PolarHBondContact O-N 3.18Å
59	T	32.9	Very low	34.4	Very low	112 Å²	112	144 Å²	144	69%	0.687	78%	0.78	S	S	*	*			trans	-64	95.1	154.1	51.1	0	0	0	0	103.9	G57 F61	G57-T59 PolarHBondContact O-N 3.35Å; T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 PolarHBondContact O-N 3.13Å
60	S	30	Very low	34.8	Very low	97 Å²	97	142 Å²	142	68%	0.678	75%	0.754	S	S	*	*			trans	-46.3	105.1	163.7	-48.1	0	0	0	0	105.3	S58 I62	S58-S60 PolarHBondContact O-N 3.18Å; S60-I62 PolarHBondContact O-N 2.98Å
61	F	33.9	Very low	36.3	Very low	189 Å²	189	139.6 Å²	139.6	83%	0.829	74%	0.738	S	S	*	*			trans	-62.7	89.7	163.7	-88.9	-90.8	0	0	0	104	T59 P63	T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 PolarHBondContact O-N 3.13Å; F61-P63 WeakPolarHBondContact O-CD 3.15Å; F61-P63 VanDerWaalsContact O-N 3.07Å
62	I	35.3	Very low	38.2	Very low	138 Å²	138	130.4 Å²	130.4	71%	0.708	72%	0.718	S	S	*	*			trans	-57	114.7	161.1	-60.7	175.5	0	0	0	102.5	S60 T64	S60-I62 PolarHBondContact O-N 2.98Å; I62-T64 PolarHBondContact O-N 2.88Å
63	P	35.2	Very low	40.5	Very low	111 Å²	111	121 Å²	121	72%	0.721	69%	0.685	S	S	*	*			trans	-62.4	101.1	172.6	-10	25.2	0	0	0	104.2	F61 G65	F61-P63 WeakPolarHBondContact O-CD 3.15Å; F61-P63 VanDerWaalsContact O-N 3.07Å; P63-G65 PolarHBondContact O-N 3.39Å
64	T	41.5	Very low	42.6	Very low	134 Å²	134	121.7 Å²	121.7	82%	0.822	68%	0.679	S	S	*	*			trans	-52	114	164.2	39.2	0	0	0	0	104.5	I62	I62-T64 PolarHBondContact O-N 2.88Å
65	G	35	Very low	44.5	Very low	62 Å²	62	115.2 Å²	115.2	64%	0.639	65%	0.646	S	S	*	*			trans	-50.1	155.5	-162.2	0	0	0	0	0	112.4	P63 R67	P63-G65 PolarHBondContact O-N 3.39Å; G65-R67 PolarHBondContact O-N 3.22Å
66	R	36.3	Very low	45.8	Very low	228 Å²	228	112.5 Å²	112.5	86%	0.86	64%	0.635	S	S	*	*			trans	-24.5	115.1	159.4	-97.2	177.6	172.6	-176.4	-2.1	108.8	T68	R66-T68 PolarHBondContact O-N 2.74Å
67	R	39.2	Very low	47.1	Very low	194 Å²	194	108.4 Å²	108.4	73%	0.732	63%	0.628	S	S	*	*			trans	-53.8	100.4	170.1	-159.1	176.6	-168.8	-179	2.1	105.4	G65 Y69	G65-R67 PolarHBondContact O-N 3.22Å; R67-Y69 PolarHBondContact O-N 3.32Å
68	T	38.9	Very low	49.3	Very low	118 Å²	118	109.1 Å²	109.1	72%	0.724	62%	0.624	S	S	*	*			trans	-52.8	131.1	-177.2	44.3	0	0	0	0	106.7	R66 A70	R66-T68 PolarHBondContact O-N 2.74Å; T68-A70 PolarHBondContact O-N 3.02Å
69	Y	47.6	Very low	52.1	Low	222 Å²	222	105.6 Å²	105.6	87%	0.871	60%	0.595	S	S	*	*			trans	-30.4	106.6	178.4	-66.9	-89.6	0	0	0	109.7	R67 G71	R67-Y69 PolarHBondContact O-N 3.32Å; Y69-G71 PolarHBondContact O-N 3.4Å
70	A	50.1	Low	55.2	Low	45 Å²	45	100.2 Å²	100.2	37%	0.372	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-54.6	130.1	-178.7	0	0	0	0	0	106.8	T68 A72 T332	T68-A70 PolarHBondContact O-N 3.02Å; A70-A72 PolarHBondContact O-N 3.43Å; A70-T332 WeakPolarHBondContact CB-OG1 3.49Å
71	G	61.5	Low	58.4	Low	44 Å²	44	95.6 Å²	95.6	45%	0.454	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-49.2	141.2	177.2	0	0	0	0	0	110	Y69 T332	Y69-G71 PolarHBondContact O-N 3.4Å; G71-T332 PolarHBondContact N-OG1 3.28Å; G71-T332 VanDerWaalsContact O-CB 3.24Å; G71-T332 WeakPolarHBondContact O-CB 2.97Å; G71-T332 WeakPolarHBondContact O-CG2 3.24Å; G71-T332 PolarHBondContact O-N 3.45Å; G71-T332 PolarHBondContact O-OG1 3.47Å
72	A	73	Confident	61.5	Low	64 Å²	64	86.6 Å²	86.6	53%	0.529	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-90.7	141.3	173.6	0	0	0	0	0	108.8	A70 E74 T330	A70-A72 PolarHBondContact O-N 3.43Å; A72-E74 PolarHBondContact O-N 3.48Å; A72-T330 CarbonylContact C-O 3.1Å
73	V	78.2	Confident	64.5	Low	33 Å²	33	80 Å²	80	20%	0.2	46%	0.456	C	S	.	.			trans	-82.6	108.9	171	-174.5	0	0	0	0	107	K79 W162 T330 T332	V73-K79 HydrophobicContact CG1-CD 4.25Å; V73-W162 HydrophobicContact CB-CZ2 4.3Å; V73-W162 HydrophobicContact CG1-CH2 4.14Å; V73-W162 HydrophobicContact CG1-CZ2 4.02Å; V73-W162 HydrophobicContact CG2-CH2 4.47Å; V73-W162 HydrophobicContact CG2-CZ2 4.37Å; V73-T330 WeakPolarHBondContact CB-O 3.47Å; V73-T330 PolarHBondContact N-O 2.64Å; V73-T332 HydrophobicContact CG2-CG2 4.18Å
74	E	73.4	Confident	67.5	Low	136 Å²	136	74.8 Å²	74.8	64%	0.636	42%	0.422	S	S	*	.			trans	-60.4	126.2	-179.9	-72.7	-59.5	141.6	0	0	110.6	A72 V76	A72-E74 PolarHBondContact O-N 3.48Å; E74-V76 VanDerWaalsContact C-N 3.25Å; E74-V76 PolarHBondContact O-N 2.86Å
75	P	67.3	Low	70.2	Confident	14 Å²	14	69.4 Å²	69.4	9%	0.091	39%	0.393	C	S	.	.			trans	-80.1	2.3	-173.5	32.3	-38	0	0	0	114.7	G77 K101 F103	P75-G77 PolarHBondContact O-N 2.69Å; P75-G77 VanDerWaalsContact O-N 3.08Å; P75-K101 WeakPolarHBondContact CG-O 3.14Å; P75-F103 HydrophobicContact CB-CD1 3.85Å; P75-F103 HydrophobicContact CB-CD2 3.66Å; P75-F103 HydrophobicContact CB-CE1 3.63Å; P75-F103 HydrophobicContact CB-CE2 3.44Å; P75-F103 VanDerWaalsContact CB-CE2 3.44Å; P75-F103 HydrophobicContact CB-CG 3.88Å; P75-F103 HydrophobicContact CB-CZ 3.44Å; P75-F103 VanDerWaalsContact CB-CZ 3.44Å; P75-F103 HydrophobicContact CG-CD2 4.43Å; P75-F103 HydrophobicContact CG-CE2 4.15Å; P75-F103 HydrophobicContact CG-CZ 4.46Å
76	V	58.9	Low	73.2	Confident	109 Å²	109	66.4 Å²	66.4	66%	0.661	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	112.5	-164.4	-174.6	0	0	0	0	113	E74 S78	E74-V76 VanDerWaalsContact C-N 3.25Å; E74-V76 PolarHBondContact O-N 2.86Å; V76-S78 PolarHBondContact O-N 2.73Å; V76-S78 PolarHBondContact O-OG 3.32Å
77	G	61.3	Low	76.1	Confident	58 Å²	58	56.5 Å²	56.5	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-14.8	154	0	0	0	0	0	118.5	P75	P75-G77 PolarHBondContact O-N 2.69Å; P75-G77 VanDerWaalsContact O-N 3.08Å
78	S	73.6	Confident	78.7	Confident	77 Å²	77	49.3 Å²	49.3	54%	0.538	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-12.8	-174.1	55.9	0	0	0	0	114.2	V76 G160	V76-S78 PolarHBondContact O-N 2.73Å; V76-S78 PolarHBondContact O-OG 3.32Å; S78-G160 WeakPolarHBondContact O-CA 3.48Å
79	K	91.8	Very high	81.4	Confident	32 Å²	32	44.4 Å²	44.4	14%	0.139	28%	0.279	C	S	.	.			trans	-100	111.6	-175.6	-71.3	173.3	-176.9	-97	0	110.5	V73 F103 L104 W162	V73-K79 HydrophobicContact CG1-CD 4.25Å; K79-F103 HydrophobicContact CB-CD1 3.95Å; K79-F103 HydrophobicContact CB-CE1 4.05Å; K79-F103 WeakPolarHBondContact O-CD1 3.37Å; K79-L104 PolarHBondContact O-N 3.08Å; K79-W162 HydrophobicContact CB-CB 3.62Å; K79-W162 HydrophobicContact CB-CG 3.85Å; K79-W162 HydrophobicContact CD-CB 4.5Å; K79-W162 HydrophobicContact CD-CD2 3.95Å; K79-W162 HydrophobicContact CD-CE3 4.44Å; K79-W162 HydrophobicContact CD-CG 3.96Å; K79-W162 HydrophobicContact CG-CB 3.87Å; K79-W162 HydrophobicContact CG-CD2 4.18Å; K79-W162 HydrophobicContact CG-CG 3.87Å; K79-W162 VanDerWaalsContact NZ-CH2 3.33Å
80	A	96.3	Very high	83.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.9	175.3	0	0	0	0	0	112.1	L104 F106 L154 G160 M161 W162 G163	A80-L104 CarbonylContact C-O 3.44Å; A80-L104 WeakPolarHBondContact CA-O 3.49Å; A80-L104 HydrophobicContact CB-CB 4.29Å; A80-L104 HydrophobicContact CB-CD2 4.1Å; A80-L104 HydrophobicContact CB-CG 4.23Å; A80-F106 HydrophobicContact CB-CD2 4.31Å; A80-F106 HydrophobicContact CB-CE2 3.9Å; A80-L154 HydrophobicContact CB-CD1 4.02Å; A80-L154 HydrophobicContact CB-CD2 3.65Å; A80-L154 HydrophobicContact CB-CG 4.46Å; A80-G160 WeakPolarHBondContact CA-O 3.4Å; A80-G160 VanDerWaalsContact CB-O 3.29Å; A80-G160 WeakPolarHBondContact CB-O 3.47Å; A80-G160 PolarHBondContact N-O 3.32Å; A80-M161 HydrophobicContact CB-SD 4.3Å; A80-W162 WeakPolarHBondContact O-CA 3.3Å; A80-W162 WeakPolarHBondContact O-CB 3.41Å; A80-W162 PolarHBondContact O-N 3.49Å; A80-G163 PolarHBondContact O-N 2.93Å
81	V	98	Very high	86	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.3	174.5	-177.6	0	0	0	0	109.5	V83 L98 F103 L104 V105 F106 G163 V165 L329	V81-V83 HydrophobicContact CG1-CG2 4.01Å; V81-L98 HydrophobicContact CB-CD1 4.37Å; V81-L98 HydrophobicContact CG1-CD1 3.94Å; V81-F103 HydrophobicContact CG2-CD1 3.58Å; V81-F103 HydrophobicContact CG2-CE1 3.91Å; V81-F103 HydrophobicContact CG2-CG 4.2Å; V81-L104 PolarHBondContact N-O 2.87Å; V81-V105 WeakPolarHBondContact O-CA 3.28Å; V81-F106 PolarHBondContact O-N 2.99Å; V81-G163 CarbonylContact C-O 3.54Å; V81-G163 VanDerWaalsContact CA-O 3.24Å; V81-G163 WeakPolarHBondContact CA-O 3.45Å; V81-V165 HydrophobicContact CG1-CG2 3.94Å; V81-L329 HydrophobicContact CG1-CD1 4.24Å; V81-L329 HydrophobicContact CG2-CD1 4.47Å
82	L	98.8	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.7	165.8	174.7	63.1	0	0	0	108.7	F106 V133 L135 V146 M161 G163 L164 V165 T198 F202	L82-F106 WeakPolarHBondContact CA-O 3.41Å; L82-F106 HydrophobicContact CB-CB 4.49Å; L82-F106 HydrophobicContact CD1-CB 3.87Å; L82-F106 WeakPolarHBondContact CD1-O 3.46Å; L82-V133 HydrophobicContact CD1-CG2 4.45Å; L82-L135 HydrophobicContact CD1-CD2 4.26Å; L82-L135 HydrophobicContact CD2-CD2 4.32Å; L82-V146 HydrophobicContact CD1-CG1 4.19Å; L82-V146 HydrophobicContact CD2-CG1 4.29Å; L82-M161 HydrophobicContact CB-CE 3.74Å; L82-G163 PolarHBondContact N-O 3.24Å; L82-L164 HydrophobicContact CB-CD1 4.15Å; L82-L164 HydrophobicContact CD2-CD1 3.87Å; L82-L164 HydrophobicContact CG-CD1 4.04Å; L82-V165 PolarHBondContact O-N 2.92Å; L82-T198 HydrophobicContact CD2-CG2 4.36Å; L82-F202 HydrophobicContact CD2-CD1 4.39Å; L82-F202 HydrophobicContact CD2-CD2 3.9Å; L82-F202 HydrophobicContact CD2-CE1 3.9Å; L82-F202 HydrophobicContact CD2-CE2 3.35Å; L82-F202 HydrophobicContact CD2-CG 4.39Å; L82-F202 HydrophobicContact CD2-CZ 3.37Å
83	V	98.9	Very high	88.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.8	171	-174.3	0	0	0	0	108.1	V81 C86 L94 L98 F106 G108 V165	V81-V83 HydrophobicContact CG1-CG2 4.01Å; V83-C86 VanDerWaalsContact CB-SG 3.58Å; V83-C86 VanDerWaalsContact CG1-SG 3.51Å; V83-C86 PolarHBondContact O-SG 2.88Å; V83-L94 HydrophobicContact CG1-CD2 3.91Å; V83-L94 HydrophobicContact CG2-CD2 4.13Å; V83-L94 HydrophobicContact CG2-CG 4.45Å; V83-L98 HydrophobicContact CG2-CD1 3.94Å; V83-F106 PolarHBondContact N-O 2.76Å; V83-G108 WeakPolarHBondContact O-CA 3.34Å; V83-G108 PolarHBondContact O-N 3.44Å; V83-V165 HydrophobicContact CB-CB 4.49Å; V83-V165 HydrophobicContact CG1-CB 4.28Å; V83-V165 HydrophobicContact CG1-CG1 4.47Å; V83-V165 HydrophobicContact CG2-CB 4.2Å; V83-V165 HydrophobicContact CG2-CG2 4.26Å
84	T	98.8	Very high	89.8	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.3	178.2	64.9	0	0	0	0	111.2	G108 L135 V137 L164 V165 N167 A168 T198	T84-G108 CarbonylContact C-O 3.34Å; T84-L135 HydrophobicContact CG2-CD2 3.86Å; T84-V137 HydrophobicContact CG2-CG1 4.2Å; T84-L164 HydrophobicContact CG2-CD1 4.46Å; T84-V165 PolarHBondContact N-O 3.43Å; T84-V165 VanDerWaalsContact N-O 3.11Å; T84-V165 PolarHBondContact OG1-O 3.38Å; T84-N167 VanDerWaalsContact O-CB 3.28Å; T84-N167 WeakPolarHBondContact O-CB 3.28Å; T84-N167 PolarHBondContact O-ND2 3.35Å; T84-N167 PolarHBondContact OG1-N 3.01Å; T84-A168 PolarHBondContact O-N 3.08Å; T84-A168 PolarHBondContact OG1-N 3.1Å; T84-T198 HydrophobicContact CG2-CG2 4.05Å
85	G	97.9	Very high	91	Very high	20 Å²	20	23 Å²	23	21%	0.206	16%	0.158	C	C	.	.			trans	72.9	50.4	176.5	0	0	0	0	0	112.4	G91 G108 N167	G85-G91 WeakPolarHBondContact O-CA 3.29Å; G85-G108 PolarHBondContact N-O 3.05Å; G85-N167 PolarHBondContact O-ND2 2.63Å; G85-N167 VanDerWaalsContact O-ND2 3.12Å
86	C	97.8	Very high	92.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.168	C	C	.	.			trans	-92.9	7.5	-177.3	-65.4	0	0	0	0	114.4	V83 S88 F92 A107 G108 L122	V83-C86 VanDerWaalsContact CB-SG 3.58Å; V83-C86 VanDerWaalsContact CG1-SG 3.51Å; V83-C86 PolarHBondContact O-SG 2.88Å; C86-S88 PolarHBondContact O-N 3.27Å; C86-F92 WeakPolarHBondContact O-CB 3.41Å; C86-A107 HydrophobicContact CB-CB 3.86Å; C86-G108 PolarHBondContact N-O 3.33Å; C86-L122 HydrophobicContact CB-CD1 4.12Å
87	D	96.3	Very high	94.2	Very high	20 Å²	20	22.5 Å²	22.5	11%	0.107	15%	0.146	C	C	.	.	S	Bend	trans	-63.4	-30.3	178.6	-52.5	-96.6	0	0	0	112.5	C109 L110 M111 H116	D87-C109 WeakPolarHBondContact OD1-CB 3.31Å; D87-C109 WeakPolarHBondContact OD2-CA 3.39Å; D87-L110 PolarHBondContact OD1-N 3.39Å; D87-L110 PolarHBondContact OD2-N 2.61Å; D87-M111 WeakPolarHBondContact OD1-CB 2.96Å; D87-M111 PolarHBondContact OD1-N 2.8Å; D87-H116 PolarHBondContact O-CE1 3.46Å; D87-H116 VanDerWaalsContact O-CE1 3.22Å; D87-H116 PolarHBondContact O-ND1 3.12Å; D87-H116 VanDerWaalsContact O-ND1 3.16Å
88	S	94.9	Very high	95.9	Very high	42 Å²	42	19.7 Å²	19.7	29%	0.294	12%	0.117	S	C	.	.	S	Bend	trans	-162.2	-175.3	179.4	69.5	0	0	0	0	112.8	C86 F92 S269	C86-S88 PolarHBondContact O-N 3.27Å; S88-F92 VanDerWaalsContact C-CB 3.47Å; S88-F92 WeakPolarHBondContact O-CB 3.41Å; S88-F92 PolarHBondContact O-N 3.34Å; S88-S269 WeakPolarHBondContact CB-OG 3.28Å; S88-S269 WeakPolarHBondContact OG-CB 3.37Å; S88-S269 PolarHBondContact OG-OG 3.29Å
89	G	94.7	Very high	97	Very high	15 Å²	15	17.4 Å²	17.4	16%	0.155	10%	0.098	C	C	.	.	H	α-helix	trans	59.5	-136.3	168.9	0	0	0	0	0	114.8	S93	G89-S93 WeakPolarHBondContact O-CB 3.31Å; G89-S93 PolarHBondContact O-N 3.01Å; G89-S93 VanDerWaalsContact O-N 3.14Å; G89-S93 PolarHBondContact O-OG 3Å
90	F	96.7	Very high	97.1	Very high	22 Å²	22	20 Å²	20	10%	0.096	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-44	-178.1	-63.9	-36.9	0	0	0	112.8	F92 S93 L94 N167 P261 F264 T268 T318 V321	F90-F92 PolarHBondContact O-N 3.1Å; F90-S93 PolarHBondContact O-N 2.78Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 PolarHBondContact O-N 2.81Å; F90-N167 WeakPolarHBondContact CB-OD1 3.37Å; F90-P261 HydrophobicContact CE2-CB 4.41Å; F90-P261 HydrophobicContact CE2-CG 4.23Å; F90-F264 HydrophobicContact CE1-CB 4.2Å; F90-F264 HydrophobicContact CE1-CD1 4.12Å; F90-F264 HydrophobicContact CE1-CG 4.19Å; F90-F264 HydrophobicContact CZ-CB 3.56Å; F90-F264 HydrophobicContact CZ-CD1 4.06Å; F90-F264 HydrophobicContact CZ-CD2 4.14Å; F90-F264 AromaticContact CZ-CG 3.66Å; F90-F264 HydrophobicContact CZ-CG 3.66Å; F90-T268 HydrophobicContact CD2-CG2 4.3Å; F90-T268 HydrophobicContact CE1-CG2 4.25Å; F90-T268 HydrophobicContact CE2-CG2 3.9Å; F90-T268 HydrophobicContact CZ-CG2 3.87Å; F90-T318 HydrophobicContact CD1-CG2 3.88Å; F90-T318 HydrophobicContact CE1-CG2 3.77Å; F90-V321 HydrophobicContact CD1-CB 4.17Å; F90-V321 HydrophobicContact CD1-CG1 4.08Å; F90-V321 HydrophobicContact CD1-CG2 4.44Å; F90-V321 HydrophobicContact CD2-CG1 4.17Å; F90-V321 HydrophobicContact CE1-CB 3.97Å; F90-V321 HydrophobicContact CE1-CG1 4.18Å; F90-V321 HydrophobicContact CE1-CG2 3.75Å; F90-V321 HydrophobicContact CE2-CG1 4.27Å; F90-V321 HydrophobicContact CE2-CG2 4.37Å; F90-V321 HydrophobicContact CG-CG1 4.08Å; F90-V321 HydrophobicContact CZ-CB 4.28Å; F90-V321 HydrophobicContact CZ-CG1 4.27Å; F90-V321 HydrophobicContact CZ-CG2 3.71Å
91	G	97.5	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-45.7	-177	0	0	0	0	0	111.7	G85 L94 A95 N167	G85-G91 WeakPolarHBondContact O-CA 3.29Å; G91-L94 PolarHBondContact O-N 3.48Å; G91-A95 WeakPolarHBondContact O-CB 3.39Å; G91-A95 PolarHBondContact O-N 3.16Å; G91-N167 WeakPolarHBondContact CA-ND2 3.38Å; G91-N167 PolarHBondContact N-ND2 2.81Å
92	F	97.4	Very high	96.7	Very high	30 Å²	30	25.9 Å²	25.9	13%	0.132	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-53.1	175.1	172.9	-99.2	0	0	0	112.2	C86 S88 F90 L94 A95 K96 G118 E121 L122	C86-F92 WeakPolarHBondContact O-CB 3.41Å; S88-F92 VanDerWaalsContact C-CB 3.47Å; S88-F92 WeakPolarHBondContact O-CB 3.41Å; S88-F92 PolarHBondContact O-N 3.34Å; F90-F92 PolarHBondContact O-N 3.1Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 3.2Å; F92-A95 PolarHBondContact O-N 3.01Å; F92-K96 HydrophobicContact CD1-CD 4.44Å; F92-K96 HydrophobicContact CE1-CD 3.75Å; F92-K96 HydrophobicContact CE2-CD 4.1Å; F92-K96 HydrophobicContact CZ-CD 3.56Å; F92-K96 PolarHBondContact O-N 3.41Å; F92-G118 WeakPolarHBondContact CE2-O 3.43Å; F92-E121 HydrophobicContact CE2-CB 4.21Å; F92-E121 HydrophobicContact CZ-CB 4.35Å; F92-E121 VanDerWaalsContact CZ-CD 3.5Å; F92-E121 HydrophobicContact CZ-CG 4.27Å; F92-E121 WeakPolarHBondContact CZ-OE1 3.18Å; F92-E121 WeakPolarHBondContact CZ-OE2 3.39Å; F92-L122 HydrophobicContact CD2-CD1 4.01Å; F92-L122 HydrophobicContact CD2-CD2 3.97Å; F92-L122 HydrophobicContact CD2-CG 3.78Å; F92-L122 HydrophobicContact CE2-CD1 4.5Å; F92-L122 HydrophobicContact CE2-CD2 3.95Å; F92-L122 HydrophobicContact CE2-CG 3.79Å
93	S	97.3	Very high	96.6	Very high	39 Å²	39	25.9 Å²	25.9	27%	0.273	15%	0.15	S	C	.	.	H	α-helix	trans	-63.3	-38.8	-178.6	-56.7	0	0	0	0	111.6	G89 F90 H97	G89-S93 WeakPolarHBondContact O-CB 3.31Å; G89-S93 PolarHBondContact O-N 3.01Å; G89-S93 VanDerWaalsContact O-N 3.14Å; G89-S93 PolarHBondContact O-OG 3Å; F90-S93 PolarHBondContact O-N 2.78Å; S93-H97 WeakPolarHBondContact O-CB 3.31Å; S93-H97 PolarHBondContact O-N 3.06Å
94	L	98.3	Very high	96.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-42.5	177.1	-177.3	64.6	0	0	0	111.7	V83 F90 G91 F92 K96 H97 L98 V165 I322 V325	V83-L94 HydrophobicContact CG1-CD2 3.91Å; V83-L94 HydrophobicContact CG2-CD2 4.13Å; V83-L94 HydrophobicContact CG2-CG 4.45Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 PolarHBondContact O-N 2.81Å; G91-L94 PolarHBondContact O-N 3.48Å; F92-L94 VanDerWaalsContact C-N 3.3Å; F92-L94 PolarHBondContact O-N 3.2Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.26Å; L94-H97 PolarHBondContact O-N 3.47Å; L94-L98 HydrophobicContact CD1-CD1 3.97Å; L94-L98 HydrophobicContact CD1-CD2 4.17Å; L94-L98 HydrophobicContact CD1-CG 3.8Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 HydrophobicContact CG-CD1 3.8Å; L94-L98 HydrophobicContact CG-CG 4.04Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.32Å; L94-V165 HydrophobicContact CD2-CB 4.33Å; L94-V165 HydrophobicContact CD2-CG1 3.81Å; L94-V165 HydrophobicContact CD2-CG2 4.25Å; L94-I322 HydrophobicContact CB-CD1 3.75Å; L94-I322 HydrophobicContact CD1-CD1 4.28Å; L94-I322 HydrophobicContact CD1-CG2 4.12Å; L94-V325 HydrophobicContact CD1-CB 4.01Å; L94-V325 HydrophobicContact CD1-CG1 3.85Å; L94-V325 HydrophobicContact CD2-CB 4.25Å; L94-V325 HydrophobicContact CD2-CG1 3.6Å; L94-V325 HydrophobicContact CD2-CG2 4.47Å; L94-V325 HydrophobicContact CG-CG1 4.38Å
95	A	98.1	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-46.9	178.4	0	0	0	0	0	111.2	G91 F92 H97 H99 V105 A107 L122 L130	G91-A95 WeakPolarHBondContact O-CB 3.39Å; G91-A95 PolarHBondContact O-N 3.16Å; F92-A95 PolarHBondContact O-N 3.01Å; A95-H97 PolarHBondContact O-N 3.28Å; A95-H99 WeakPolarHBondContact O-CB 3.42Å; A95-H99 PolarHBondContact O-N 3.24Å; A95-V105 HydrophobicContact CB-CG1 4.03Å; A95-A107 HydrophobicContact CB-CB 4.17Å; A95-L122 HydrophobicContact CB-CD2 4.13Å; A95-L130 HydrophobicContact CB-CD1 4.45Å
96	K	97.5	Very high	96.4	Very high	69 Å²	69	26.4 Å²	26.4	30%	0.3	15%	0.148	S	C	.	.	H	α-helix	trans	-61.6	-43.3	174.6	-64.8	-178.8	67.7	175.6	0	111.9	F92 L94 H99 S100 E121 L122 L125	F92-K96 HydrophobicContact CD1-CD 4.44Å; F92-K96 HydrophobicContact CE1-CD 3.75Å; F92-K96 HydrophobicContact CE2-CD 4.1Å; F92-K96 HydrophobicContact CZ-CD 3.56Å; F92-K96 PolarHBondContact O-N 3.41Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.26Å; K96-H99 PolarHBondContact O-N 2.96Å; K96-S100 PolarHBondContact O-N 3.33Å; K96-E121 IonicContact NZ-OE1 2.75Å; K96-E121 PolarHBondContact NZ-OE1 2.95Å; K96-L122 HydrophobicContact CD-CD2 4.29Å; K96-L122 HydrophobicContact CG-CD2 3.58Å; K96-L125 HydrophobicContact CG-CD1 4.34Å
97	H	97.1	Very high	96.4	Very high	44 Å²	44	26.4 Å²	26.4	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-46.7	179.4	-174.2	93.2	0	0	0	112.6	S93 L94 A95 H99 S100 K101 I322 T326	S93-H97 WeakPolarHBondContact O-CB 3.31Å; S93-H97 PolarHBondContact O-N 3.06Å; L94-H97 PolarHBondContact O-N 3.47Å; A95-H97 PolarHBondContact O-N 3.28Å; H97-H99 VanDerWaalsContact C-N 3.28Å; H97-H99 PolarHBondContact O-N 3.4Å; H97-S100 PolarHBondContact O-N 2.83Å; H97-S100 PolarHBondContact O-OG 3.44Å; H97-K101 VanDerWaalsContact NE2-CE 3.28Å; H97-K101 WeakPolarHBondContact NE2-CE 3.31Å; H97-K101 WeakPolarHBondContact O-CG 3.46Å; H97-K101 PolarHBondContact O-N 2.95Å; H97-I322 HydrophobicContact CB-CG2 3.65Å; H97-I322 VanDerWaalsContact CG-CG2 3.42Å; H97-T326 PolarHBondContact CD2-OG1 2.63Å; H97-T326 VanDerWaalsContact CD2-OG1 3.29Å; H97-T326 PolarHBondContact NE2-OG1 3.34Å
98	L	96.8	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-35.9	179	-66.5	179.1	0	0	0	111.3	V81 V83 L94 K101 G102 F103 V105 L329	V81-L98 HydrophobicContact CB-CD1 4.37Å; V81-L98 HydrophobicContact CG1-CD1 3.94Å; V83-L98 HydrophobicContact CG2-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CD1 3.97Å; L94-L98 HydrophobicContact CD1-CD2 4.17Å; L94-L98 HydrophobicContact CD1-CG 3.8Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 HydrophobicContact CG-CD1 3.8Å; L94-L98 HydrophobicContact CG-CG 4.04Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.32Å; L98-K101 PolarHBondContact O-N 2.93Å; L98-G102 PolarHBondContact O-N 3.19Å; L98-F103 HydrophobicContact CB-CB 4.31Å; L98-F103 HydrophobicContact CB-CD2 4.04Å; L98-F103 HydrophobicContact CB-CG 4.46Å; L98-F103 HydrophobicContact CD2-CD2 3.87Å; L98-F103 HydrophobicContact CD2-CE2 3.86Å; L98-F103 WeakPolarHBondContact O-CB 3.3Å; L98-F103 WeakPolarHBondContact O-CD2 3.17Å; L98-F103 PolarHBondContact O-N 3.13Å; L98-F103 VanDerWaalsContact O-N 3.12Å; L98-V105 HydrophobicContact CB-CG2 3.78Å; L98-L329 HydrophobicContact CD1-CD1 3.79Å; L98-L329 HydrophobicContact CD2-CD1 3.75Å; L98-L329 HydrophobicContact CG-CD1 4.45Å
99	H	95.9	Very high	96.7	Very high	28 Å²	28	23.4 Å²	23.4	13%	0.13	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-44.9	171.9	170.7	-97.1	0	0	0	112.2	A95 K96 H97 K101 G102 V105 S127 R129 L130	A95-H99 WeakPolarHBondContact O-CB 3.42Å; A95-H99 PolarHBondContact O-N 3.24Å; K96-H99 PolarHBondContact O-N 2.96Å; H97-H99 VanDerWaalsContact C-N 3.28Å; H97-H99 PolarHBondContact O-N 3.4Å; H99-K101 PolarHBondContact O-N 2.75Å; H99-G102 PolarHBondContact O-N 2.95Å; H99-V105 HydrophobicContact CB-CG2 4.25Å; H99-S127 WeakPolarHBondContact NE2-CB 3.37Å; H99-S127 PolarHBondContact NE2-OG 3.14Å; H99-R129 PolarHBondContact O-NH1 3.29Å; H99-R129 PolarHBondContact O-NH2 3.1Å; H99-R129 VanDerWaalsContact O-NH2 3.1Å; H99-L130 HydrophobicContact CB-CB 4.43Å; H99-L130 HydrophobicContact CB-CD1 3.79Å
100	S	94.4	Very high	96.8	Very high	86 Å²	86	26.8 Å²	26.8	60%	0.601	14%	0.143	S	C	*	.	H	α-helix	trans	-65.9	-26.4	176.5	79.8	0	0	0	0	112.8	K96 H97 G102	K96-S100 PolarHBondContact O-N 3.33Å; H97-S100 PolarHBondContact O-N 2.83Å; H97-S100 PolarHBondContact O-OG 3.44Å; S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 2.81Å
101	K	93.4	Very high	96.7	Very high	109 Å²	109	28.6 Å²	28.6	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.3	171.8	-67.1	-65.6	-177.9	-177.2	0	114.4	P75 H97 L98 H99 F103	P75-K101 WeakPolarHBondContact CG-O 3.14Å; H97-K101 VanDerWaalsContact NE2-CE 3.28Å; H97-K101 WeakPolarHBondContact NE2-CE 3.31Å; H97-K101 WeakPolarHBondContact O-CG 3.46Å; H97-K101 PolarHBondContact O-N 2.95Å; L98-K101 PolarHBondContact O-N 2.93Å; H99-K101 PolarHBondContact O-N 2.75Å; K101-F103 HydrophobicContact CB-CD2 4.1Å; K101-F103 HydrophobicContact CB-CE2 4.33Å
102	G	93.3	Very high	96.4	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	3.3	175.6	0	0	0	0	0	115.7	L98 H99 S100 R129	L98-G102 PolarHBondContact O-N 3.19Å; H99-G102 PolarHBondContact O-N 2.95Å; S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 2.81Å; G102-R129 VanDerWaalsContact C-NH1 3.29Å; G102-R129 VanDerWaalsContact CA-NH1 3.27Å
103	F	95.4	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.			trans	-67.2	156.8	173.6	-73.3	-83.6	0	0	0	111.6	P75 K79 V81 L98 K101 V105 R129 W162 L329 T330	P75-F103 HydrophobicContact CB-CD1 3.85Å; P75-F103 HydrophobicContact CB-CD2 3.66Å; P75-F103 HydrophobicContact CB-CE1 3.63Å; P75-F103 HydrophobicContact CB-CE2 3.44Å; P75-F103 VanDerWaalsContact CB-CE2 3.44Å; P75-F103 HydrophobicContact CB-CG 3.88Å; P75-F103 HydrophobicContact CB-CZ 3.44Å; P75-F103 VanDerWaalsContact CB-CZ 3.44Å; P75-F103 HydrophobicContact CG-CD2 4.43Å; P75-F103 HydrophobicContact CG-CE2 4.15Å; P75-F103 HydrophobicContact CG-CZ 4.46Å; K79-F103 HydrophobicContact CB-CD1 3.95Å; K79-F103 HydrophobicContact CB-CE1 4.05Å; K79-F103 WeakPolarHBondContact O-CD1 3.37Å; V81-F103 HydrophobicContact CG2-CD1 3.58Å; V81-F103 HydrophobicContact CG2-CE1 3.91Å; V81-F103 HydrophobicContact CG2-CG 4.2Å; L98-F103 HydrophobicContact CB-CB 4.31Å; L98-F103 HydrophobicContact CB-CD2 4.04Å; L98-F103 HydrophobicContact CB-CG 4.46Å; L98-F103 HydrophobicContact CD2-CD2 3.87Å; L98-F103 HydrophobicContact CD2-CE2 3.86Å; L98-F103 WeakPolarHBondContact O-CB 3.3Å; L98-F103 WeakPolarHBondContact O-CD2 3.17Å; L98-F103 PolarHBondContact O-N 3.13Å; L98-F103 VanDerWaalsContact O-N 3.12Å; K101-F103 HydrophobicContact CB-CD2 4.1Å; K101-F103 HydrophobicContact CB-CE2 4.33Å; F103-V105 HydrophobicContact CB-CG2 4.05Å; F103-R129 PolarHBondContact O-NH1 3.17Å; F103-W162 AromaticContact CE1-CD1 3.7Å; F103-L329 HydrophobicContact CZ-CB 4.36Å; F103-T330 HydrophobicContact CE2-CG2 4.06Å; F103-T330 HydrophobicContact CZ-CG2 3.82Å
104	L	95.8	Very high	95.9	Very high	29 Å²	29	41.9 Å²	41.9	15%	0.152	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.4	158.3	173.1	61.9	0	0	0	107.8	K79 A80 V81 F106 R129 L154	K79-L104 PolarHBondContact O-N 3.08Å; A80-L104 CarbonylContact C-O 3.44Å; A80-L104 WeakPolarHBondContact CA-O 3.49Å; A80-L104 HydrophobicContact CB-CB 4.29Å; A80-L104 HydrophobicContact CB-CD2 4.1Å; A80-L104 HydrophobicContact CB-CG 4.23Å; V81-L104 PolarHBondContact N-O 2.87Å; L104-F106 HydrophobicContact CD2-CE2 4.04Å; L104-F106 HydrophobicContact CD2-CZ 4.29Å; L104-F106 HydrophobicContact CG-CE2 3.98Å; L104-F106 HydrophobicContact CG-CZ 4.43Å; L104-R129 CarbonylContact C-O 3.57Å; L104-R129 WeakPolarHBondContact CA-O 3.48Å; L104-L154 HydrophobicContact CD2-CD2 3.29Å
105	V	97.4	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.6	-171.7	-178.5	0	0	0	0	109.7	V81 A95 L98 H99 F103 R129 L130 R131	V81-V105 WeakPolarHBondContact O-CA 3.28Å; A95-V105 HydrophobicContact CB-CG1 4.03Å; L98-V105 HydrophobicContact CB-CG2 3.78Å; H99-V105 HydrophobicContact CB-CG2 4.25Å; F103-V105 HydrophobicContact CB-CG2 4.05Å; V105-R129 PolarHBondContact N-O 3.47Å; V105-L130 HydrophobicContact CB-CD1 4.33Å; V105-L130 HydrophobicContact CB-CG 4.24Å; V105-L130 HydrophobicContact CG1-CD1 4.36Å; V105-L130 HydrophobicContact CG1-CG 4.46Å; V105-L130 WeakPolarHBondContact O-CA 3.29Å; V105-R131 PolarHBondContact O-N 3.49Å
106	F	98.2	Very high	95.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.5	162.4	-63.9	-88.6	0	0	0	107.3	A80 V81 L82 V83 L104 G108 R131 V133 I149 V150 L154	A80-F106 HydrophobicContact CB-CD2 4.31Å; A80-F106 HydrophobicContact CB-CE2 3.9Å; V81-F106 PolarHBondContact O-N 2.99Å; L82-F106 WeakPolarHBondContact CA-O 3.41Å; L82-F106 HydrophobicContact CB-CB 4.49Å; L82-F106 HydrophobicContact CD1-CB 3.87Å; L82-F106 WeakPolarHBondContact CD1-O 3.46Å; V83-F106 PolarHBondContact N-O 2.76Å; L104-F106 HydrophobicContact CD2-CE2 4.04Å; L104-F106 HydrophobicContact CD2-CZ 4.29Å; L104-F106 HydrophobicContact CG-CE2 3.98Å; L104-F106 HydrophobicContact CG-CZ 4.43Å; F106-G108 PolarHBondContact O-N 2.75Å; F106-R131 CarbonylContact C-O 3.57Å; F106-R131 WeakPolarHBondContact CA-O 3.47Å; F106-R131 HydrophobicContact CD1-CB 4.4Å; F106-V133 HydrophobicContact CD1-CG1 4.26Å; F106-I149 HydrophobicContact CE1-CG2 4.39Å; F106-V150 HydrophobicContact CB-CG2 4.35Å; F106-V150 HydrophobicContact CD1-CG2 3.83Å; F106-V150 HydrophobicContact CD2-CG1 4.49Å; F106-V150 HydrophobicContact CD2-CG2 3.83Å; F106-V150 HydrophobicContact CE1-CG2 4.03Å; F106-V150 HydrophobicContact CE2-CB 4.48Å; F106-V150 HydrophobicContact CE2-CG1 4.14Å; F106-V150 HydrophobicContact CE2-CG2 4.04Å; F106-V150 HydrophobicContact CG-CG2 3.73Å; F106-V150 HydrophobicContact CZ-CB 4.45Å; F106-V150 HydrophobicContact CZ-CG1 4.47Å; F106-V150 HydrophobicContact CZ-CG2 4.14Å; F106-L154 HydrophobicContact CE2-CD2 4.29Å
107	A	98.6	Very high	94.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	99.5	178.6	0	0	0	0	0	108.9	C86 A95 C109 L122 R131 T132 V133	C86-A107 HydrophobicContact CB-CB 3.86Å; A95-A107 HydrophobicContact CB-CB 4.17Å; A107-C109 PolarHBondContact O-N 3.29Å; A107-C109 PolarHBondContact O-SG 2.74Å; A107-L122 HydrophobicContact CB-CD1 3.99Å; A107-R131 PolarHBondContact N-O 2.87Å; A107-T132 HydrophobicContact CB-CG2 4.17Å; A107-T132 CarbonylContact O-C 3.57Å; A107-T132 VanDerWaalsContact O-CA 3.3Å; A107-T132 WeakPolarHBondContact O-CA 3.37Å; A107-V133 PolarHBondContact O-N 3.34Å
108	G	98.5	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.4	176.7	0	0	0	0	0	111	V83 T84 G85 C86 F106 V133	V83-G108 WeakPolarHBondContact O-CA 3.34Å; V83-G108 PolarHBondContact O-N 3.44Å; T84-G108 CarbonylContact C-O 3.34Å; G85-G108 PolarHBondContact N-O 3.05Å; C86-G108 PolarHBondContact N-O 3.33Å; F106-G108 PolarHBondContact O-N 2.75Å; G108-V133 WeakPolarHBondContact CA-O 3.33Å
109	C	98.2	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	-176.3	-58	0	0	0	0	109.8	D87 A107 M111 K112 V119 V133 Q134 L135	D87-C109 WeakPolarHBondContact OD1-CB 3.31Å; D87-C109 WeakPolarHBondContact OD2-CA 3.39Å; A107-C109 PolarHBondContact O-N 3.29Å; A107-C109 PolarHBondContact O-SG 2.74Å; C109-M111 VanDerWaalsContact C-N 3.3Å; C109-K112 HydrophobicContact CB-CB 4.21Å; C109-V119 HydrophobicContact CB-CG2 3.74Å; C109-V133 PolarHBondContact N-O 3.01Å; C109-Q134 WeakPolarHBondContact O-CA 3.44Å; C109-L135 PolarHBondContact O-N 2.88Å
110	L	96.9	Very high	94.7	Very high	86 Å²	86	51.2 Å²	51.2	45%	0.45	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.7	177	179	63.7	0	0	0	111.7	D87 Q134 N136	D87-L110 PolarHBondContact OD1-N 3.39Å; D87-L110 PolarHBondContact OD2-N 2.61Å; L110-Q134 PolarHBondContact O-NE2 2.92Å; L110-Q134 PolarHBondContact O-OE1 2.99Å; L110-N136 HydrophobicContact CD1-CB 3.75Å
111	M	94.4	Very high	94.8	Very high	60 Å²	60	51.2 Å²	51.2	30%	0.296	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	27.9	-170.3	-56.8	-72.8	-78.1	0	0	112	D87 C109 D113 K114 G115 H116	D87-M111 WeakPolarHBondContact OD1-CB 2.96Å; D87-M111 PolarHBondContact OD1-N 2.8Å; C109-M111 VanDerWaalsContact C-N 3.3Å; M111-D113 PolarHBondContact O-N 3.19Å; M111-K114 HydrophobicContact CB-CB 4.48Å; M111-K114 HydrophobicContact CE-CB 4.26Å; M111-K114 HydrophobicContact CE-CD 3.33Å; M111-K114 HydrophobicContact CE-CG 4.44Å; M111-K114 PolarHBondContact O-N 3.41Å; M111-K114 HydrophobicContact SD-CD 3.61Å; M111-G115 PolarHBondContact O-N 3.19Å; M111-H116 HydrophobicContact CB-CB 3.72Å; M111-H116 PolarHBondContact O-N 3.5Å
112	K	92.4	Very high	95	Very high	60 Å²	60	46 Å²	46	26%	0.261	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-51.5	178.3	178.2	-177.4	173.2	65.4	0	110.8	C109 K114 G115 V119 D123 T132 V133 Q134	C109-K112 HydrophobicContact CB-CB 4.21Å; K112-K114 PolarHBondContact O-N 3.44Å; K112-K114 VanDerWaalsContact O-N 3.14Å; K112-G115 PolarHBondContact O-N 3.46Å; K112-V119 HydrophobicContact CB-CG1 4.34Å; K112-V119 HydrophobicContact CG-CG1 4.09Å; K112-D123 IonicContact NZ-OD2 2.98Å; K112-T132 VanDerWaalsContact CE-O 3.24Å; K112-T132 WeakPolarHBondContact CE-O 3.47Å; K112-T132 PolarHBondContact NZ-O 3.09Å; K112-T132 PolarHBondContact NZ-OG1 3.47Å; K112-V133 VanDerWaalsContact CD-C 3.49Å; K112-Q134 HydrophobicContact CB-CB 4.13Å; K112-Q134 HydrophobicContact CD-CB 4.2Å; K112-Q134 VanDerWaalsContact CD-N 3.27Å; K112-Q134 VanDerWaalsContact N-OE1 3.12Å
113	D	92.5	Very high	95.1	Very high	129 Å²	129	48.5 Å²	48.5	69%	0.69	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.8	-175	-63.3	-13.7	0	0	0	112.7	M111 Q134	M111-D113 PolarHBondContact O-N 3.19Å; D113-Q134 WeakPolarHBondContact OD2-CG 3.25Å
114	K	90.1	Very high	95.1	Very high	158 Å²	158	51.9 Å²	51.9	69%	0.687	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-1.5	176	-64.6	174.8	-176.9	173.8	0	113.1	M111 K112 H116	M111-K114 HydrophobicContact CB-CB 4.48Å; M111-K114 HydrophobicContact CE-CB 4.26Å; M111-K114 HydrophobicContact CE-CD 3.33Å; M111-K114 HydrophobicContact CE-CG 4.44Å; M111-K114 PolarHBondContact O-N 3.41Å; M111-K114 HydrophobicContact SD-CD 3.61Å; K112-K114 PolarHBondContact O-N 3.44Å; K112-K114 VanDerWaalsContact O-N 3.14Å; K114-H116 PolarHBondContact O-N 3.02Å
115	G	87.9	Confident	95	Very high	24 Å²	24	53.6 Å²	53.6	25%	0.247	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	41.3	176.4	0	0	0	0	0	113.9	M111 K112 K120	M111-G115 PolarHBondContact O-N 3.19Å; K112-G115 PolarHBondContact O-N 3.46Å; G115-K120 WeakPolarHBondContact O-CE 3.35Å; G115-K120 PolarHBondContact O-NZ 3.22Å
116	H	92.6	Very high	94.8	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.356	31%	0.314	S	S	.	.			trans	-56.2	146.2	173.8	-175.9	-96.3	0	0	0	111.3	D87 M111 K114 G118 V119 K120	D87-H116 PolarHBondContact O-CE1 3.46Å; D87-H116 VanDerWaalsContact O-CE1 3.22Å; D87-H116 PolarHBondContact O-ND1 3.12Å; D87-H116 VanDerWaalsContact O-ND1 3.16Å; M111-H116 HydrophobicContact CB-CB 3.72Å; M111-H116 PolarHBondContact O-N 3.5Å; K114-H116 PolarHBondContact O-N 3.02Å; H116-G118 VanDerWaalsContact C-N 3.32Å; H116-G118 PolarHBondContact ND1-N 2.99Å; H116-G118 PolarHBondContact O-N 2.89Å; H116-V119 HydrophobicContact CB-CG2 4.16Å; H116-V119 WeakPolarHBondContact O-CA 3.46Å; H116-V119 VanDerWaalsContact O-CB 3.31Å; H116-V119 WeakPolarHBondContact O-CB 3.43Å; H116-V119 PolarHBondContact O-N 3.44Å; H116-K120 PolarHBondContact O-N 3.17Å; H116-K120 VanDerWaalsContact O-N 3.08Å
117	D	93.4	Very high	94.5	Very high	112 Å²	112	62.3 Å²	62.3	60%	0.599	33%	0.326	S	S	*	.	H	α-helix	trans	-62.1	-37.5	-169.2	-65.8	-24.9	0	0	0	113.3	V119 K120 E121	D117-V119 VanDerWaalsContact C-N 3.26Å; D117-V119 PolarHBondContact O-N 2.97Å; D117-K120 PolarHBondContact O-N 2.88Å; D117-K120 IonicContact OD1-NZ 2.64Å; D117-K120 PolarHBondContact OD1-NZ 3.23Å; D117-K120 VanDerWaalsContact OD1-NZ 3.11Å; D117-E121 PolarHBondContact O-N 3.12Å
118	G	94.1	Very high	94.2	Very high	9 Å²	9	70.2 Å²	70.2	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-34	172.7	0	0	0	0	0	113.1	F92 H116 L122	F92-G118 WeakPolarHBondContact CE2-O 3.43Å; H116-G118 VanDerWaalsContact C-N 3.32Å; H116-G118 PolarHBondContact ND1-N 2.99Å; H116-G118 PolarHBondContact O-N 2.89Å; G118-L122 VanDerWaalsContact O-CG 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.45Å; G118-L122 PolarHBondContact O-N 3.39Å
119	V	95	Very high	93.9	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-70.1	-45.5	175.5	-176.3	0	0	0	0	110.4	C109 K112 H116 D117 E121 L122 D123 T132	C109-V119 HydrophobicContact CB-CG2 3.74Å; K112-V119 HydrophobicContact CB-CG1 4.34Å; K112-V119 HydrophobicContact CG-CG1 4.09Å; H116-V119 HydrophobicContact CB-CG2 4.16Å; H116-V119 WeakPolarHBondContact O-CA 3.46Å; H116-V119 VanDerWaalsContact O-CB 3.31Å; H116-V119 WeakPolarHBondContact O-CB 3.43Å; H116-V119 PolarHBondContact O-N 3.44Å; D117-V119 VanDerWaalsContact C-N 3.26Å; D117-V119 PolarHBondContact O-N 2.97Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 2.63Å; V119-L122 PolarHBondContact O-N 3.4Å; V119-L122 VanDerWaalsContact O-N 3.17Å; V119-D123 WeakPolarHBondContact O-CB 3.34Å; V119-D123 PolarHBondContact O-N 3.32Å; V119-T132 HydrophobicContact CG1-CG2 4.12Å
120	K	96.6	Very high	93.8	Very high	117 Å²	117	74.8 Å²	74.8	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-58.3	-40.1	176.8	-66.9	176.1	179.4	130.3	0	111.6	G115 H116 D117 D123 S124	G115-K120 WeakPolarHBondContact O-CE 3.35Å; G115-K120 PolarHBondContact O-NZ 3.22Å; H116-K120 PolarHBondContact O-N 3.17Å; H116-K120 VanDerWaalsContact O-N 3.08Å; D117-K120 PolarHBondContact O-N 2.88Å; D117-K120 IonicContact OD1-NZ 2.64Å; D117-K120 PolarHBondContact OD1-NZ 3.23Å; D117-K120 VanDerWaalsContact OD1-NZ 3.11Å; K120-D123 PolarHBondContact O-N 2.89Å; K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.12Å
121	E	96.7	Very high	93.8	Very high	85 Å²	85	76.3 Å²	76.3	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-69.8	-38.5	177.4	-167	-173.7	145.6	0	0	112.3	F92 K96 D117 V119 S124	F92-E121 HydrophobicContact CE2-CB 4.21Å; F92-E121 HydrophobicContact CZ-CB 4.35Å; F92-E121 VanDerWaalsContact CZ-CD 3.5Å; F92-E121 HydrophobicContact CZ-CG 4.27Å; F92-E121 WeakPolarHBondContact CZ-OE1 3.18Å; F92-E121 WeakPolarHBondContact CZ-OE2 3.39Å; K96-E121 IonicContact NZ-OE1 2.75Å; K96-E121 PolarHBondContact NZ-OE1 2.95Å; D117-E121 PolarHBondContact O-N 3.12Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 2.63Å; E121-S124 PolarHBondContact O-N 3.17Å; E121-S124 PolarHBondContact O-OG 3.01Å
122	L	96.8	Very high	94	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-43	173.1	-72	175.9	0	0	0	111.4	C86 F92 A95 K96 A107 G118 V119 S124 L125 L130 T132	C86-L122 HydrophobicContact CB-CD1 4.12Å; F92-L122 HydrophobicContact CD2-CD1 4.01Å; F92-L122 HydrophobicContact CD2-CD2 3.97Å; F92-L122 HydrophobicContact CD2-CG 3.78Å; F92-L122 HydrophobicContact CE2-CD1 4.5Å; F92-L122 HydrophobicContact CE2-CD2 3.95Å; F92-L122 HydrophobicContact CE2-CG 3.79Å; A95-L122 HydrophobicContact CB-CD2 4.13Å; K96-L122 HydrophobicContact CD-CD2 4.29Å; K96-L122 HydrophobicContact CG-CD2 3.58Å; A107-L122 HydrophobicContact CB-CD1 3.99Å; G118-L122 VanDerWaalsContact O-CG 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.45Å; G118-L122 PolarHBondContact O-N 3.39Å; V119-L122 PolarHBondContact O-N 3.4Å; V119-L122 VanDerWaalsContact O-N 3.17Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.16Å; L122-L125 WeakPolarHBondContact O-CB 3.37Å; L122-L125 PolarHBondContact O-N 3.34Å; L122-L130 HydrophobicContact CB-CD2 4.03Å; L122-L130 HydrophobicContact CD2-CD1 4.25Å; L122-T132 HydrophobicContact CB-CG2 3.56Å; L122-T132 HydrophobicContact CD1-CG2 4.02Å; L122-T132 HydrophobicContact CG-CG2 4.45Å
123	D	95.6	Very high	94.2	Very high	68 Å²	68	70.8 Å²	70.8	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-31.7	178.7	-73.2	-20	0	0	0	112	K112 V119 K120 L125 N126 T132	K112-D123 IonicContact NZ-OD2 2.98Å; V119-D123 WeakPolarHBondContact O-CB 3.34Å; V119-D123 PolarHBondContact O-N 3.32Å; K120-D123 PolarHBondContact O-N 2.89Å; D123-L125 PolarHBondContact O-N 2.99Å; D123-N126 PolarHBondContact O-N 3.3Å; D123-N126 VanDerWaalsContact O-N 3.12Å; D123-T132 VanDerWaalsContact CG-OG1 3.28Å; D123-T132 WeakPolarHBondContact OD1-CB 3.46Å; D123-T132 WeakPolarHBondContact OD1-CG2 3.35Å; D123-T132 PolarHBondContact OD1-OG1 3.5Å; D123-T132 PolarHBondContact OD2-OG1 2.81Å
124	S	95.8	Very high	94.5	Very high	71 Å²	71	66.6 Å²	66.6	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-68.1	-13.2	178.8	78.3	0	0	0	0	114.2	K120 E121 L122 N126	K120-S124 WeakPolarHBondContact O-CB 3.27Å; K120-S124 PolarHBondContact O-N 3.12Å; E121-S124 PolarHBondContact O-N 3.17Å; E121-S124 PolarHBondContact O-OG 3.01Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 3.16Å; S124-N126 PolarHBondContact O-N 3.14Å; S124-N126 PolarHBondContact O-ND2 2.91Å; S124-N126 VanDerWaalsContact O-ND2 3.12Å
125	L	93.6	Very high	94.9	Very high	64 Å²	64	59.3 Å²	59.3	34%	0.335	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.8	170.9	-64.2	176.3	0	0	0	112.9	K96 L122 D123 S127 L130	K96-L125 HydrophobicContact CG-CD1 4.34Å; L122-L125 WeakPolarHBondContact O-CB 3.37Å; L122-L125 PolarHBondContact O-N 3.34Å; D123-L125 PolarHBondContact O-N 2.99Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.37Å; L125-L130 HydrophobicContact CD1-CD1 4.03Å
126	N	92	Very high	95.4	Very high	149 Å²	149	60.5 Å²	60.5	80%	0.797	31%	0.307	S	S	*	.			trans	46	49.4	173.3	-71.5	-50.8	0	0	0	113.4	D123 S124	D123-N126 PolarHBondContact O-N 3.3Å; D123-N126 VanDerWaalsContact O-N 3.12Å; S124-N126 PolarHBondContact O-N 3.14Å; S124-N126 PolarHBondContact O-ND2 2.91Å; S124-N126 VanDerWaalsContact O-ND2 3.12Å
127	S	92.8	Very high	95.7	Very high	36 Å²	36	57.2 Å²	57.2	25%	0.252	29%	0.292	S	S	.	.			trans	-124.3	131.2	-176.5	-175.8	0	0	0	0	111.7	H99 L125 R129 L130	H99-S127 WeakPolarHBondContact NE2-CB 3.37Å; H99-S127 PolarHBondContact NE2-OG 3.14Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.37Å; S127-R129 PolarHBondContact O-N 3.4Å; S127-R129 PolarHBondContact OG-N 3.41Å; S127-L130 PolarHBondContact O-N 3.44Å
128	D	91.5	Very high	96	Very high	167 Å²	167	53.6 Å²	53.6	89%	0.893	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.6	175.8	-57.7	-28	0	0	0	113.8
129	R	93.5	Very high	96.2	Very high	81 Å²	81	54.6 Å²	54.6	31%	0.306	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.5	177.7	-64.5	-169.7	-60.4	98.2	-1	113.9	H99 G102 F103 L104 V105 S127	H99-R129 PolarHBondContact O-NH1 3.29Å; H99-R129 PolarHBondContact O-NH2 3.1Å; H99-R129 VanDerWaalsContact O-NH2 3.1Å; G102-R129 VanDerWaalsContact C-NH1 3.29Å; G102-R129 VanDerWaalsContact CA-NH1 3.27Å; F103-R129 PolarHBondContact O-NH1 3.17Å; L104-R129 CarbonylContact C-O 3.57Å; L104-R129 WeakPolarHBondContact CA-O 3.48Å; V105-R129 PolarHBondContact N-O 3.47Å; S127-R129 PolarHBondContact O-N 3.4Å; S127-R129 PolarHBondContact OG-N 3.41Å
130	L	96.2	Very high	96.3	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.9	173.3	-173.5	148.8	0	0	0	109.3	A95 H99 V105 L122 L125 S127 T132	A95-L130 HydrophobicContact CB-CD1 4.45Å; H99-L130 HydrophobicContact CB-CB 4.43Å; H99-L130 HydrophobicContact CB-CD1 3.79Å; V105-L130 HydrophobicContact CB-CD1 4.33Å; V105-L130 HydrophobicContact CB-CG 4.24Å; V105-L130 HydrophobicContact CG1-CD1 4.36Å; V105-L130 HydrophobicContact CG1-CG 4.46Å; V105-L130 WeakPolarHBondContact O-CA 3.29Å; L122-L130 HydrophobicContact CB-CD2 4.03Å; L122-L130 HydrophobicContact CD2-CD1 4.25Å; L125-L130 HydrophobicContact CD1-CD1 4.03Å; S127-L130 PolarHBondContact O-N 3.44Å; L130-T132 HydrophobicContact CD2-CG2 4.29Å
131	R	96.3	Very high	96.4	Very high	117 Å²	117	58 Å²	58	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.6	178.7	-175.6	175.8	-179.8	176.8	2.4	109.4	V105 F106 A107 V133 S153	V105-R131 PolarHBondContact O-N 3.49Å; F106-R131 CarbonylContact C-O 3.57Å; F106-R131 WeakPolarHBondContact CA-O 3.47Å; F106-R131 HydrophobicContact CD1-CB 4.4Å; A107-R131 PolarHBondContact N-O 2.87Å; R131-V133 HydrophobicContact CG-CG1 4.27Å; R131-S153 PolarHBondContact NH1-OG 2.85Å
132	T	98	Very high	96.5	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.7	169	63.1	0	0	0	0	110	A107 K112 V119 L122 D123 L130	A107-T132 HydrophobicContact CB-CG2 4.17Å; A107-T132 CarbonylContact O-C 3.57Å; A107-T132 VanDerWaalsContact O-CA 3.3Å; A107-T132 WeakPolarHBondContact O-CA 3.37Å; K112-T132 VanDerWaalsContact CE-O 3.24Å; K112-T132 WeakPolarHBondContact CE-O 3.47Å; K112-T132 PolarHBondContact NZ-O 3.09Å; K112-T132 PolarHBondContact NZ-OG1 3.47Å; V119-T132 HydrophobicContact CG1-CG2 4.12Å; L122-T132 HydrophobicContact CB-CG2 3.56Å; L122-T132 HydrophobicContact CD1-CG2 4.02Å; L122-T132 HydrophobicContact CG-CG2 4.45Å; D123-T132 VanDerWaalsContact CG-OG1 3.28Å; D123-T132 WeakPolarHBondContact OD1-CB 3.46Å; D123-T132 WeakPolarHBondContact OD1-CG2 3.35Å; D123-T132 PolarHBondContact OD1-OG1 3.5Å; D123-T132 PolarHBondContact OD2-OG1 2.81Å; L130-T132 HydrophobicContact CD2-CG2 4.29Å
133	V	98.1	Very high	96.6	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.6	179.4	-62	0	0	0	0	109.9	L82 F106 A107 G108 C109 K112 R131 L135 V146 I149	L82-V133 HydrophobicContact CD1-CG2 4.45Å; F106-V133 HydrophobicContact CD1-CG1 4.26Å; A107-V133 PolarHBondContact O-N 3.34Å; G108-V133 WeakPolarHBondContact CA-O 3.33Å; C109-V133 PolarHBondContact N-O 3.01Å; K112-V133 VanDerWaalsContact CD-C 3.49Å; R131-V133 HydrophobicContact CG-CG1 4.27Å; V133-L135 PolarHBondContact O-N 2.95Å; V133-V146 HydrophobicContact CB-CG2 4.25Å; V133-V146 HydrophobicContact CG2-CG1 3.78Å; V133-V146 HydrophobicContact CG2-CG2 4.03Å; V133-I149 HydrophobicContact CG1-CG2 4.06Å
134	Q	98.3	Very high	96.8	Very high	40 Å²	40	57.1 Å²	57.1	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.8	174.7	175.9	57.4	47.5	0	0	107.9	C109 L110 K112 D113 E142 V146	C109-Q134 WeakPolarHBondContact O-CA 3.44Å; L110-Q134 PolarHBondContact O-NE2 2.92Å; L110-Q134 PolarHBondContact O-OE1 2.99Å; K112-Q134 HydrophobicContact CB-CB 4.13Å; K112-Q134 HydrophobicContact CD-CB 4.2Å; K112-Q134 VanDerWaalsContact CD-N 3.27Å; K112-Q134 VanDerWaalsContact N-OE1 3.12Å; D113-Q134 WeakPolarHBondContact OD2-CG 3.25Å; Q134-E142 PolarHBondContact NE2-OE2 3.27Å; Q134-V146 VanDerWaalsContact O-CG2 3.24Å; Q134-V146 WeakPolarHBondContact O-CG2 3.12Å
135	L	98.6	Very high	96.9	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.298	C	S	.	.			trans	-150.7	98.7	-177.2	-177.6	56	0	0	0	112.2	L82 T84 C109 V133 V137 V143 V146	L82-L135 HydrophobicContact CD1-CD2 4.26Å; L82-L135 HydrophobicContact CD2-CD2 4.32Å; T84-L135 HydrophobicContact CG2-CD2 3.86Å; C109-L135 PolarHBondContact O-N 2.88Å; V133-L135 PolarHBondContact O-N 2.95Å; L135-V137 HydrophobicContact CG-CG1 4.35Å; L135-V143 HydrophobicContact CD1-CB 4.45Å; L135-V143 HydrophobicContact CD1-CG2 3.87Å; L135-V146 HydrophobicContact CB-CG2 4.19Å; L135-V146 HydrophobicContact CD1-CB 4.39Å; L135-V146 HydrophobicContact CD1-CG2 3.98Å
136	N	98.5	Very high	97.1	Very high	48 Å²	48	55.9 Å²	55.9	26%	0.257	28%	0.283	S	S	.	.			trans	-86.8	110	158.9	-175.9	-2.3	0	0	0	110.6	L110 C138 S139 E142	L110-N136 HydrophobicContact CD1-CB 3.75Å; N136-C138 PolarHBondContact O-N 2.9Å; N136-C138 VanDerWaalsContact O-N 3.11Å; N136-C138 VanDerWaalsContact OD1-CB 3.3Å; N136-C138 WeakPolarHBondContact OD1-CB 3.09Å; N136-C138 PolarHBondContact OD1-N 2.92Å; N136-S139 PolarHBondContact O-N 2.88Å; N136-E142 WeakPolarHBondContact CB-OE1 3.31Å; N136-E142 WeakPolarHBondContact CB-OE2 3.32Å; N136-E142 PolarHBondContact N-OE2 2.81Å
137	V	98.7	Very high	97.4	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.048	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.9	179.6	-60.9	0	0	0	0	113.7	T84 L135 S139 A168 V190 G194 R197	T84-V137 HydrophobicContact CG2-CG1 4.2Å; L135-V137 HydrophobicContact CG-CG1 4.35Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-A168 HydrophobicContact CG1-CB 3.93Å; V137-A168 HydrophobicContact CG2-CB 4.15Å; V137-V190 HydrophobicContact CG2-CG1 4.04Å; V137-G194 WeakPolarHBondContact O-CA 3.47Å; V137-R197 WeakPolarHBondContact O-CD 3.41Å; V137-R197 PolarHBondContact O-NH1 3Å
138	C	98.6	Very high	97.6	Very high	37 Å²	37	51.6 Å²	51.6	25%	0.25	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.4	174.4	-54.7	0	0	0	0	112.6	N136 E189 V190	N136-C138 PolarHBondContact O-N 2.9Å; N136-C138 VanDerWaalsContact O-N 3.11Å; N136-C138 VanDerWaalsContact OD1-CB 3.3Å; N136-C138 WeakPolarHBondContact OD1-CB 3.09Å; N136-C138 PolarHBondContact OD1-N 2.92Å; C138-E189 HydrophobicContact CB-CG 4.03Å; C138-V190 VanDerWaalsContact SG-CG2 3.59Å
139	S	98.6	Very high	97.9	Very high	29 Å²	29	46 Å²	46	20%	0.203	22%	0.224	C	C	.	.			trans	-100.7	111.5	-177.8	176.4	0	0	0	0	110.9	N136 V137 E141 E142 V143	N136-S139 PolarHBondContact O-N 2.88Å; V137-S139 VanDerWaalsContact C-N 3.32Å; S139-E141 PolarHBondContact O-N 3.09Å; S139-E142 PolarHBondContact O-N 3.07Å; S139-E142 PolarHBondContact OG-N 3.32Å; S139-V143 WeakPolarHBondContact O-CG2 3.43Å; S139-V143 PolarHBondContact O-N 3.16Å
140	S	98.5	Very high	98	Very high	68 Å²	68	42.1 Å²	42.1	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-36.3	173.1	-57.5	0	0	0	0	111.8	V143 E144 R197	S140-V143 PolarHBondContact O-N 2.91Å; S140-E144 WeakPolarHBondContact O-CG 3.45Å; S140-E144 PolarHBondContact O-N 3.24Å; S140-R197 WeakPolarHBondContact OG-CD 3.2Å; S140-R197 PolarHBondContact OG-NE 3.15Å
141	E	98.5	Very high	97.9	Very high	124 Å²	124	47.7 Å²	47.7	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-64	-45.4	178.4	-170.8	-169.3	157	0	0	112	S139 E144 K145	S139-E141 PolarHBondContact O-N 3.09Å; E141-E144 PolarHBondContact O-N 2.99Å; E141-K145 HydrophobicContact CG-CD 4.47Å; E141-K145 WeakPolarHBondContact O-CB 3.31Å; E141-K145 VanDerWaalsContact O-CG 3.28Å; E141-K145 WeakPolarHBondContact O-CG 3.06Å; E141-K145 PolarHBondContact O-N 3.12Å; E141-K145 WeakPolarHBondContact OE1-CE 3.37Å; E141-K145 IonicContact OE1-NZ 3.73Å; E141-K145 PolarHBondContact OE1-NZ 2.91Å
142	E	98.5	Very high	97.9	Very high	46 Å²	46	46.7 Å²	46.7	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-39.3	176.9	-72.3	-176	-126.4	0	0	111.9	Q134 N136 S139 E144 K145 V146	Q134-E142 PolarHBondContact NE2-OE2 3.27Å; N136-E142 WeakPolarHBondContact CB-OE1 3.31Å; N136-E142 WeakPolarHBondContact CB-OE2 3.32Å; N136-E142 PolarHBondContact N-OE2 2.81Å; S139-E142 PolarHBondContact O-N 3.07Å; S139-E142 PolarHBondContact OG-N 3.32Å; E142-E144 PolarHBondContact O-N 3.48Å; E142-K145 PolarHBondContact O-N 3.31Å; E142-V146 WeakPolarHBondContact O-CG2 3.21Å; E142-V146 PolarHBondContact O-N 3.13Å
143	V	98.8	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-48.4	174.9	172.6	0	0	0	0	110.8	L135 S139 S140 V146 V147 R197 S201	L135-V143 HydrophobicContact CD1-CB 4.45Å; L135-V143 HydrophobicContact CD1-CG2 3.87Å; S139-V143 WeakPolarHBondContact O-CG2 3.43Å; S139-V143 PolarHBondContact O-N 3.16Å; S140-V143 PolarHBondContact O-N 2.91Å; V143-V146 PolarHBondContact O-N 2.93Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.72Å; V143-R197 HydrophobicContact CG2-CG 4.36Å; V143-S201 WeakPolarHBondContact CG1-OG 3.28Å
144	E	98.5	Very high	97.3	Very high	88 Å²	88	49.6 Å²	49.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-38.3	178.5	-67.6	-53.6	140.8	0	0	112.3	S140 E141 E142 V146 V147 E148 S201	S140-E144 WeakPolarHBondContact O-CG 3.45Å; S140-E144 PolarHBondContact O-N 3.24Å; E141-E144 PolarHBondContact O-N 2.99Å; E142-E144 PolarHBondContact O-N 3.48Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 3.23Å; E144-V147 WeakPolarHBondContact O-CB 3.4Å; E144-V147 PolarHBondContact O-N 2.91Å; E144-V147 VanDerWaalsContact O-N 3.16Å; E144-E148 PolarHBondContact O-N 3.13Å; E144-S201 WeakPolarHBondContact OE1-CB 3.48Å; E144-S201 PolarHBondContact OE1-OG 3.2Å
145	K	98.4	Very high	96.8	Very high	109 Å²	109	58.5 Å²	58.5	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-57.3	-42.2	172	-76.3	171.7	-176.9	169.5	0	111.6	E141 E142 E148 I149	E141-K145 HydrophobicContact CG-CD 4.47Å; E141-K145 WeakPolarHBondContact O-CB 3.31Å; E141-K145 VanDerWaalsContact O-CG 3.28Å; E141-K145 WeakPolarHBondContact O-CG 3.06Å; E141-K145 PolarHBondContact O-N 3.12Å; E141-K145 WeakPolarHBondContact OE1-CE 3.37Å; E141-K145 IonicContact OE1-NZ 3.73Å; E141-K145 PolarHBondContact OE1-NZ 2.91Å; E142-K145 PolarHBondContact O-N 3.31Å; K145-E148 PolarHBondContact O-N 3.23Å; K145-I149 WeakPolarHBondContact O-CG1 3.24Å; K145-I149 PolarHBondContact O-N 2.8Å
146	V	98.4	Very high	96.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-36.2	177.4	178.6	0	0	0	0	111.7	L82 V133 Q134 L135 E142 V143 E144 E148 I149 V150 F202	L82-V146 HydrophobicContact CD1-CG1 4.19Å; L82-V146 HydrophobicContact CD2-CG1 4.29Å; V133-V146 HydrophobicContact CB-CG2 4.25Å; V133-V146 HydrophobicContact CG2-CG1 3.78Å; V133-V146 HydrophobicContact CG2-CG2 4.03Å; Q134-V146 VanDerWaalsContact O-CG2 3.24Å; Q134-V146 WeakPolarHBondContact O-CG2 3.12Å; L135-V146 HydrophobicContact CB-CG2 4.19Å; L135-V146 HydrophobicContact CD1-CB 4.39Å; L135-V146 HydrophobicContact CD1-CG2 3.98Å; E142-V146 WeakPolarHBondContact O-CG2 3.21Å; E142-V146 PolarHBondContact O-N 3.13Å; V143-V146 PolarHBondContact O-N 2.93Å; E144-V146 VanDerWaalsContact C-N 3.28Å; E144-V146 PolarHBondContact O-N 3.23Å; V146-E148 VanDerWaalsContact C-N 3.28Å; V146-E148 PolarHBondContact O-N 2.95Å; V146-I149 PolarHBondContact O-N 3.4Å; V146-V150 HydrophobicContact CG1-CG2 4.36Å; V146-V150 WeakPolarHBondContact O-CG2 3.19Å; V146-V150 PolarHBondContact O-N 2.81Å; V146-F202 HydrophobicContact CG1-CZ 4.03Å
147	V	98.3	Very high	95.6	Very high	11 Å²	11	59.8 Å²	59.8	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-46.2	170.7	173	0	0	0	0	110.5	V143 E144 V150 R151 F202 L205	V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.72Å; E144-V147 WeakPolarHBondContact O-CB 3.4Å; E144-V147 PolarHBondContact O-N 2.91Å; E144-V147 VanDerWaalsContact O-N 3.16Å; V147-V150 PolarHBondContact O-N 3.38Å; V147-R151 VanDerWaalsContact O-CB 3.29Å; V147-R151 WeakPolarHBondContact O-CB 3.49Å; V147-R151 PolarHBondContact O-N 3.39Å; V147-F202 HydrophobicContact CB-CE2 4.42Å; V147-F202 HydrophobicContact CB-CZ 4.22Å; V147-F202 HydrophobicContact CG2-CD1 4.41Å; V147-F202 HydrophobicContact CG2-CD2 3.7Å; V147-F202 HydrophobicContact CG2-CE1 4.13Å; V147-F202 HydrophobicContact CG2-CE2 3.35Å; V147-F202 HydrophobicContact CG2-CG 4.21Å; V147-F202 HydrophobicContact CG2-CZ 3.57Å; V147-L205 HydrophobicContact CG1-CD1 4.1Å
148	E	97.9	Very high	94.8	Very high	83 Å²	83	64.2 Å²	64.2	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-67.6	-38.4	178.8	-70.4	-55.2	122.3	0	0	113.3	E144 K145 V146 R151 S152	E144-E148 PolarHBondContact O-N 3.13Å; K145-E148 PolarHBondContact O-N 3.23Å; V146-E148 VanDerWaalsContact C-N 3.28Å; V146-E148 PolarHBondContact O-N 2.95Å; E148-R151 PolarHBondContact O-N 2.96Å; E148-R151 IonicContact OE1-CZ 2.94Å; E148-R151 IonicContact OE1-NE 3.71Å; E148-R151 PolarHBondContact OE1-NE 3.14Å; E148-R151 IonicContact OE1-NH2 3.59Å; E148-R151 IonicContact OE2-CZ 3.89Å; E148-R151 VanDerWaalsContact OE2-CZ 3.24Å; E148-R151 IonicContact OE2-NE 3.15Å; E148-R151 PolarHBondContact OE2-NE 2.88Å; E148-R151 IonicContact OE2-NH2 2.77Å; E148-R151 PolarHBondContact OE2-NH2 2.87Å; E148-S152 WeakPolarHBondContact O-CB 3.01Å; E148-S152 PolarHBondContact O-N 3.26Å; E148-S152 PolarHBondContact O-OG 2.87Å
149	I	96.8	Very high	94.2	Very high	49 Å²	49	69.7 Å²	69.7	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-47	172.9	-70.7	165	0	0	0	110.4	F106 V133 K145 V146 S152 S153	F106-I149 HydrophobicContact CE1-CG2 4.39Å; V133-I149 HydrophobicContact CG1-CG2 4.06Å; K145-I149 WeakPolarHBondContact O-CG1 3.24Å; K145-I149 PolarHBondContact O-N 2.8Å; V146-I149 PolarHBondContact O-N 3.4Å; I149-S152 PolarHBondContact O-OG 3.1Å; I149-S152 VanDerWaalsContact O-OG 3.05Å; I149-S153 VanDerWaalsContact O-CB 3.24Å; I149-S153 WeakPolarHBondContact O-CB 3.29Å; I149-S153 PolarHBondContact O-N 3.24Å; I149-S153 PolarHBondContact O-OG 3.36Å
150	V	95.9	Very high	93.7	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-47.2	177.9	171.5	0	0	0	0	110.1	F106 V146 V147 S152 S153 L154 M161 F202	F106-V150 HydrophobicContact CB-CG2 4.35Å; F106-V150 HydrophobicContact CD1-CG2 3.83Å; F106-V150 HydrophobicContact CD2-CG1 4.49Å; F106-V150 HydrophobicContact CD2-CG2 3.83Å; F106-V150 HydrophobicContact CE1-CG2 4.03Å; F106-V150 HydrophobicContact CE2-CB 4.48Å; F106-V150 HydrophobicContact CE2-CG1 4.14Å; F106-V150 HydrophobicContact CE2-CG2 4.04Å; F106-V150 HydrophobicContact CG-CG2 3.73Å; F106-V150 HydrophobicContact CZ-CB 4.45Å; F106-V150 HydrophobicContact CZ-CG1 4.47Å; F106-V150 HydrophobicContact CZ-CG2 4.14Å; V146-V150 HydrophobicContact CG1-CG2 4.36Å; V146-V150 WeakPolarHBondContact O-CG2 3.19Å; V146-V150 PolarHBondContact O-N 2.81Å; V147-V150 PolarHBondContact O-N 3.38Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.42Å; V150-S153 PolarHBondContact O-N 3.48Å; V150-L154 HydrophobicContact CG1-CD1 3.74Å; V150-L154 HydrophobicContact CG1-CG 4.36Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.08Å; V150-L154 PolarHBondContact O-N 2.74Å; V150-M161 HydrophobicContact CG1-SD 3.7Å; V150-F202 HydrophobicContact CB-CE1 4.16Å; V150-F202 HydrophobicContact CG1-CE1 4.29Å; V150-F202 HydrophobicContact CG2-CE1 3.98Å; V150-F202 HydrophobicContact CG2-CZ 4.19Å
151	R	94.6	Very high	93.5	Very high	132 Å²	132	65.4 Å²	65.4	50%	0.498	32%	0.316	S	S	.	.	H	α-helix	trans	-59.3	-41.4	-179.5	-170.5	174.9	76.2	117.3	-0.4	112.5	V147 E148 P157	V147-R151 VanDerWaalsContact O-CB 3.29Å; V147-R151 WeakPolarHBondContact O-CB 3.49Å; V147-R151 PolarHBondContact O-N 3.39Å; E148-R151 PolarHBondContact O-N 2.96Å; E148-R151 IonicContact OE1-CZ 2.94Å; E148-R151 IonicContact OE1-NE 3.71Å; E148-R151 PolarHBondContact OE1-NE 3.14Å; E148-R151 IonicContact OE1-NH2 3.59Å; E148-R151 IonicContact OE2-CZ 3.89Å; E148-R151 VanDerWaalsContact OE2-CZ 3.24Å; E148-R151 IonicContact OE2-NE 3.15Å; E148-R151 PolarHBondContact OE2-NE 2.88Å; E148-R151 IonicContact OE2-NH2 2.77Å; E148-R151 PolarHBondContact OE2-NH2 2.87Å; R151-P157 HydrophobicContact CG-CB 4.13Å; R151-P157 HydrophobicContact CG-CG 4.06Å; R151-P157 WeakPolarHBondContact O-CG 3.35Å
152	S	94.8	Very high	93.5	Very high	96 Å²	96	60.4 Å²	60.4	67%	0.671	29%	0.292	S	S	*	.	H	α-helix	trans	-76.9	-24.7	178.5	55	0	0	0	0	113.7	E148 I149 V150	E148-S152 WeakPolarHBondContact O-CB 3.01Å; E148-S152 PolarHBondContact O-N 3.26Å; E148-S152 PolarHBondContact O-OG 2.87Å; I149-S152 PolarHBondContact O-OG 3.1Å; I149-S152 VanDerWaalsContact O-OG 3.05Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.42Å
153	S	91.9	Very high	93.4	Very high	48 Å²	48	58.2 Å²	58.2	34%	0.336	28%	0.282	S	S	.	.	H	α-helix	trans	-83.8	-16.9	-177.8	-59.7	0	0	0	0	113.7	R131 I149 V150	R131-S153 PolarHBondContact NH1-OG 2.85Å; I149-S153 VanDerWaalsContact O-CB 3.24Å; I149-S153 WeakPolarHBondContact O-CB 3.29Å; I149-S153 PolarHBondContact O-N 3.24Å; I149-S153 PolarHBondContact O-OG 3.36Å; V150-S153 PolarHBondContact O-N 3.48Å
154	L	91.5	Very high	93.4	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.094	28%	0.282	C	S	.	.			trans	-97.8	135.1	-177	-61.7	176.9	0	0	0	111.6	A80 L104 F106 V150 D156 P157 M161	A80-L154 HydrophobicContact CB-CD1 4.02Å; A80-L154 HydrophobicContact CB-CD2 3.65Å; A80-L154 HydrophobicContact CB-CG 4.46Å; L104-L154 HydrophobicContact CD2-CD2 3.29Å; F106-L154 HydrophobicContact CE2-CD2 4.29Å; V150-L154 HydrophobicContact CG1-CD1 3.74Å; V150-L154 HydrophobicContact CG1-CG 4.36Å; V150-L154 VanDerWaalsContact O-CG 3.3Å; V150-L154 WeakPolarHBondContact O-CG 3.08Å; V150-L154 PolarHBondContact O-N 2.74Å; L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.26Å; L154-P157 HydrophobicContact CB-CB 4.34Å; L154-P157 HydrophobicContact CB-CG 4.13Å; L154-M161 HydrophobicContact CD1-CB 4.2Å
155	K	88.6	Confident	93.4	Very high	228 Å²	228	54 Å²	54	99%	0.991	26%	0.262	S	S	*	.	S	Bend	trans	-58.9	-41.6	174.9	-66.3	-175.1	179.5	-178.5	0	112.6
156	D	89.1	Confident	93.4	Very high	55 Å²	55	49 Å²	49	29%	0.294	24%	0.24	S	C	.	.	S	Bend	trans	-133.7	93.7	173.1	-178.2	-18.9	0	0	0	107.2	L154 E158 K159 G160	L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.26Å; D156-E158 PolarHBondContact O-N 3.17Å; D156-E158 PolarHBondContact OD1-N 3.04Å; D156-E158 VanDerWaalsContact OD1-N 3.1Å; D156-K159 HydrophobicContact CB-CB 4.41Å; D156-K159 PolarHBondContact O-N 2.91Å; D156-K159 PolarHBondContact OD1-N 3.42Å; D156-K159 VanDerWaalsContact OD1-N 3.13Å; D156-K159 VanDerWaalsContact OD2-CD 3.31Å; D156-K159 WeakPolarHBondContact OD2-CD 3.06Å; D156-K159 WeakPolarHBondContact OD2-CE 3.39Å; D156-K159 VanDerWaalsContact OD2-CG 3.3Å; D156-K159 WeakPolarHBondContact OD2-CG 3.48Å; D156-K159 IonicContact OD2-NZ 3.26Å; D156-K159 PolarHBondContact OD2-NZ 2.86Å; D156-G160 WeakPolarHBondContact O-CA 3.37Å; D156-G160 PolarHBondContact O-N 2.88Å
157	P	82.8	Confident	93.4	Very high	26 Å²	26	50 Å²	50	17%	0.169	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-27.8	-177.5	-24.5	35.5	0	0	0	113.1	R151 L154 K159 M161 L205	R151-P157 HydrophobicContact CG-CB 4.13Å; R151-P157 HydrophobicContact CG-CG 4.06Å; R151-P157 WeakPolarHBondContact O-CG 3.35Å; L154-P157 HydrophobicContact CB-CB 4.34Å; L154-P157 HydrophobicContact CB-CG 4.13Å; P157-K159 VanDerWaalsContact C-N 3.32Å; P157-M161 PolarHBondContact O-N 3.46Å; P157-L205 HydrophobicContact CB-CD2 3.99Å
158	E	82.4	Confident	93.4	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-75.8	-22.7	-178	-55.4	-158.5	147.5	0	0	112.7	D156 R208 A209	D156-E158 PolarHBondContact O-N 3.17Å; D156-E158 PolarHBondContact OD1-N 3.04Å; D156-E158 VanDerWaalsContact OD1-N 3.1Å; E158-R208 HydrophobicContact CB-CB 4.05Å; E158-R208 CarbonylContact O-C 3.57Å; E158-R208 WeakPolarHBondContact OE1-CD 3.37Å; E158-R208 IonicContact OE1-CZ 3.2Å; E158-R208 IonicContact OE1-NE 3.42Å; E158-R208 PolarHBondContact OE1-NE 2.91Å; E158-R208 VanDerWaalsContact OE1-NE 3.15Å; E158-A209 WeakPolarHBondContact O-CA 3.32Å; E158-A209 WeakPolarHBondContact O-CB 3.24Å; E158-A209 PolarHBondContact O-N 2.67Å
159	K	85.3	Confident	93.4	Very high	153 Å²	153	47.6 Å²	47.6	67%	0.665	24%	0.244	S	C	*	.	H	α-helix	trans	-107.5	-20.9	173.1	-59.9	-169.1	-165.8	104.6	0	113.4	D156 P157	D156-K159 HydrophobicContact CB-CB 4.41Å; D156-K159 PolarHBondContact O-N 2.91Å; D156-K159 PolarHBondContact OD1-N 3.42Å; D156-K159 VanDerWaalsContact OD1-N 3.13Å; D156-K159 VanDerWaalsContact OD2-CD 3.31Å; D156-K159 WeakPolarHBondContact OD2-CD 3.06Å; D156-K159 WeakPolarHBondContact OD2-CE 3.39Å; D156-K159 VanDerWaalsContact OD2-CG 3.3Å; D156-K159 WeakPolarHBondContact OD2-CG 3.48Å; D156-K159 IonicContact OD2-NZ 3.26Å; D156-K159 PolarHBondContact OD2-NZ 2.86Å; P157-K159 VanDerWaalsContact C-N 3.32Å
160	G	88.1	Confident	93.3	Very high	6 Å²	6	48.2 Å²	48.2	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-84.6	-33	-171.4	0	0	0	0	0	113.9	S78 A80 D156 W162	S78-G160 WeakPolarHBondContact O-CA 3.48Å; A80-G160 WeakPolarHBondContact CA-O 3.4Å; A80-G160 VanDerWaalsContact CB-O 3.29Å; A80-G160 WeakPolarHBondContact CB-O 3.47Å; A80-G160 PolarHBondContact N-O 3.32Å; D156-G160 WeakPolarHBondContact O-CA 3.37Å; D156-G160 PolarHBondContact O-N 2.88Å; G160-W162 VanDerWaalsContact C-N 3.33Å; G160-W162 PolarHBondContact O-N 3.38Å
161	M	95.4	Very high	93.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	83.2	-178.3	-171	55.9	-162.3	0	0	111.7	A80 L82 V150 L154 P157 G163 F202 L205 I206 A209	A80-M161 HydrophobicContact CB-SD 4.3Å; L82-M161 HydrophobicContact CB-CE 3.74Å; V150-M161 HydrophobicContact CG1-SD 3.7Å; L154-M161 HydrophobicContact CD1-CB 4.2Å; P157-M161 PolarHBondContact O-N 3.46Å; M161-G163 WeakPolarHBondContact CE-O 3.49Å; M161-F202 HydrophobicContact CE-CD1 3.69Å; M161-F202 HydrophobicContact CE-CE1 4Å; M161-F202 HydrophobicContact CG-CD1 4.34Å; M161-F202 HydrophobicContact SD-CD1 4.34Å; M161-F202 HydrophobicContact SD-CE1 4.4Å; M161-L205 HydrophobicContact CB-CB 3.77Å; M161-L205 HydrophobicContact CG-CB 3.87Å; M161-I206 HydrophobicContact CG-CG1 4.1Å; M161-A209 VanDerWaalsContact O-CB 3.24Å; M161-A209 WeakPolarHBondContact O-CB 3.29Å
162	W	96.5	Very high	93.1	Very high	19 Å²	19	43 Å²	43	7%	0.072	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-41.2	-171.6	176	-110.8	0	0	0	113.8	V73 K79 A80 F103 G160 G211 R212 L329	V73-W162 HydrophobicContact CB-CZ2 4.3Å; V73-W162 HydrophobicContact CG1-CH2 4.14Å; V73-W162 HydrophobicContact CG1-CZ2 4.02Å; V73-W162 HydrophobicContact CG2-CH2 4.47Å; V73-W162 HydrophobicContact CG2-CZ2 4.37Å; K79-W162 HydrophobicContact CB-CB 3.62Å; K79-W162 HydrophobicContact CB-CG 3.85Å; K79-W162 HydrophobicContact CD-CB 4.5Å; K79-W162 HydrophobicContact CD-CD2 3.95Å; K79-W162 HydrophobicContact CD-CE3 4.44Å; K79-W162 HydrophobicContact CD-CG 3.96Å; K79-W162 HydrophobicContact CG-CB 3.87Å; K79-W162 HydrophobicContact CG-CD2 4.18Å; K79-W162 HydrophobicContact CG-CG 3.87Å; K79-W162 VanDerWaalsContact NZ-CH2 3.33Å; A80-W162 WeakPolarHBondContact O-CA 3.3Å; A80-W162 WeakPolarHBondContact O-CB 3.41Å; A80-W162 PolarHBondContact O-N 3.49Å; F103-W162 AromaticContact CE1-CD1 3.7Å; G160-W162 VanDerWaalsContact C-N 3.33Å; G160-W162 PolarHBondContact O-N 3.38Å; W162-G211 CarbonylContact O-C 3.55Å; W162-G211 WeakPolarHBondContact O-CA 3.41Å; W162-R212 HydrophobicContact CD2-CG 4.42Å; W162-R212 HydrophobicContact CH2-CG 4.49Å; W162-R212 VanDerWaalsContact CH2-CZ 3.48Å; W162-R212 HydrophobicContact CZ2-CG 3.8Å; W162-R212 PolarHBondContact O-N 3.22Å; W162-L329 PolarHBondContact NE1-O 3.1Å
163	G	97.2	Very high	93	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.3	-167.6	0	0	0	0	0	114.4	A80 V81 L82 M161 R212	A80-G163 PolarHBondContact O-N 2.93Å; V81-G163 CarbonylContact C-O 3.54Å; V81-G163 VanDerWaalsContact CA-O 3.24Å; V81-G163 WeakPolarHBondContact CA-O 3.45Å; L82-G163 PolarHBondContact N-O 3.24Å; M161-G163 WeakPolarHBondContact CE-O 3.49Å; G163-R212 CarbonylContact C-O 3.48Å; G163-R212 VanDerWaalsContact CA-O 3.31Å; G163-R212 WeakPolarHBondContact CA-O 3.47Å
164	L	98.8	Very high	93.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.5	162.7	170.4	65.7	0	0	0	109.2	L82 T84 N166 T198 F202 I206 R212 V213 V214	L82-L164 HydrophobicContact CB-CD1 4.15Å; L82-L164 HydrophobicContact CD2-CD1 3.87Å; L82-L164 HydrophobicContact CG-CD1 4.04Å; T84-L164 HydrophobicContact CG2-CD1 4.46Å; L164-N166 WeakPolarHBondContact CD2-ND2 3.36Å; L164-T198 HydrophobicContact CD1-CG2 3.91Å; L164-T198 HydrophobicContact CD2-CG2 4.31Å; L164-F202 HydrophobicContact CD2-CB 4.21Å; L164-I206 HydrophobicContact CB-CD1 3.46Å; L164-I206 VanDerWaalsContact CB-CD1 3.46Å; L164-I206 HydrophobicContact CD2-CD1 4.24Å; L164-R212 PolarHBondContact N-O 3.16Å; L164-V213 CarbonylContact O-C 3.57Å; L164-V213 WeakPolarHBondContact O-CA 3.44Å; L164-V214 PolarHBondContact O-N 2.85Å
165	V	98.9	Very high	93.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	102	171.1	-172.6	0	0	0	0	108.8	V81 L82 V83 T84 L94 N167 V214 I216 V325 L329	V81-V165 HydrophobicContact CG1-CG2 3.94Å; L82-V165 PolarHBondContact O-N 2.92Å; V83-V165 HydrophobicContact CB-CB 4.49Å; V83-V165 HydrophobicContact CG1-CB 4.28Å; V83-V165 HydrophobicContact CG1-CG1 4.47Å; V83-V165 HydrophobicContact CG2-CB 4.2Å; V83-V165 HydrophobicContact CG2-CG2 4.26Å; T84-V165 PolarHBondContact N-O 3.43Å; T84-V165 VanDerWaalsContact N-O 3.11Å; T84-V165 PolarHBondContact OG1-O 3.38Å; L94-V165 HydrophobicContact CD2-CB 4.33Å; L94-V165 HydrophobicContact CD2-CG1 3.81Å; L94-V165 HydrophobicContact CD2-CG2 4.25Å; V165-N167 HydrophobicContact CG1-CB 4.25Å; V165-N167 PolarHBondContact O-N 3.03Å; V165-N167 VanDerWaalsContact O-N 3.14Å; V165-V214 CarbonylContact C-O 3.53Å; V165-V214 VanDerWaalsContact CA-O 3.31Å; V165-V214 WeakPolarHBondContact CA-O 3.37Å; V165-V214 HydrophobicContact CG1-CB 4.41Å; V165-V214 HydrophobicContact CG2-CB 4.28Å; V165-I216 HydrophobicContact CG1-CD1 4.38Å; V165-I216 HydrophobicContact CG1-CG1 4.36Å; V165-V325 HydrophobicContact CG1-CG1 4.09Å; V165-V325 HydrophobicContact CG2-CG1 3.94Å; V165-L329 HydrophobicContact CG2-CD1 4.1Å; V165-L329 HydrophobicContact CG2-CD2 4.4Å
166	N	98.9	Very high	93.5	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	93.9	172.6	-65.3	-63.5	0	0	0	108.7	L164 T195 T199 V214 N215 I216	L164-N166 WeakPolarHBondContact CD2-ND2 3.36Å; N166-T195 HydrophobicContact CB-CG2 3.88Å; N166-T199 PolarHBondContact ND2-OG1 2.82Å; N166-V214 PolarHBondContact N-O 3.4Å; N166-N215 WeakPolarHBondContact CB-OD1 3.3Å; N166-N215 PolarHBondContact ND2-OD1 2.86Å; N166-I216 PolarHBondContact O-N 3.03Å
167	N	98.7	Very high	93.9	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	18%	0.179	C	C	.	.			trans	-112	-23.2	-178.8	163.6	84.3	0	0	0	113.3	T84 G85 F90 G91 V165 G169 I216	T84-N167 VanDerWaalsContact O-CB 3.28Å; T84-N167 WeakPolarHBondContact O-CB 3.28Å; T84-N167 PolarHBondContact O-ND2 3.35Å; T84-N167 PolarHBondContact OG1-N 3.01Å; G85-N167 PolarHBondContact O-ND2 2.63Å; G85-N167 VanDerWaalsContact O-ND2 3.12Å; F90-N167 WeakPolarHBondContact CB-OD1 3.37Å; G91-N167 WeakPolarHBondContact CA-ND2 3.38Å; G91-N167 PolarHBondContact N-ND2 2.81Å; V165-N167 HydrophobicContact CG1-CB 4.25Å; V165-N167 PolarHBondContact O-N 3.03Å; V165-N167 VanDerWaalsContact O-N 3.14Å; N167-G169 PolarHBondContact O-N 3.5Å; N167-I216 HydrophobicContact CB-CG1 3.79Å
168	A	97.9	Very high	94.5	Very high	16 Å²	16	32.7 Å²	32.7	13%	0.132	17%	0.173	C	C	.	.			trans	-57.4	131.8	-177.7	0	0	0	0	0	110.1	T84 V137	T84-A168 PolarHBondContact O-N 3.08Å; T84-A168 PolarHBondContact OG1-N 3.1Å; V137-A168 HydrophobicContact CG1-CB 3.93Å; V137-A168 HydrophobicContact CG2-CB 4.15Å
169	G	96.4	Very high	95.1	Very high	28 Å²	28	28.6 Å²	28.6	29%	0.289	16%	0.155	S	C	.	.			trans	-172.9	151.4	178.8	0	0	0	0	0	112.5	N167 N191 L270	N167-G169 PolarHBondContact O-N 3.5Å; G169-N191 WeakPolarHBondContact CA-OD1 3.34Å; G169-L270 WeakPolarHBondContact O-CD2 3.36Å
170	I	95.7	Very high	95.5	Very high	62 Å²	62	22.6 Å²	22.6	32%	0.318	13%	0.132	S	C	.	.			trans	-116.4	164.6	172.9	61.6	171.1	0	0	0	109.8	E186 V187 V190 N191 Y231	I170-E186 HydrophobicContact CD1-CG 4.31Å; I170-V187 HydrophobicContact CD1-CG2 4.16Å; I170-V187 HydrophobicContact CG1-CG1 4.45Å; I170-V187 HydrophobicContact CG1-CG2 4.37Å; I170-V190 HydrophobicContact CD1-CB 4.37Å; I170-V190 HydrophobicContact CD1-CG2 3.82Å; I170-V190 HydrophobicContact CG1-CB 4.05Å; I170-V190 HydrophobicContact CG1-CG1 4.43Å; I170-V190 HydrophobicContact CG1-CG2 4.03Å; I170-V190 HydrophobicContact CG2-CG1 4.39Å; I170-N191 PolarHBondContact N-OD1 2.87Å; I170-N191 PolarHBondContact O-ND2 3.31Å; I170-N191 PolarHBondContact O-OD1 3.02Å; I170-Y231 WeakPolarHBondContact O-CD2 3.34Å; I170-Y231 WeakPolarHBondContact O-CE2 3.26Å
171	S	92.4	Very high	95.9	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	16%	0.157	C	C	.	.			trans	-133.1	148.4	176.2	-149.7	0	0	0	0	110.4	R228 Y231 Y271	S171-R228 PolarHBondContact OG-NH2 3.16Å; S171-Y231 VanDerWaalsContact OG-CD2 3.24Å; S171-Y231 WeakPolarHBondContact OG-CD2 3.32Å; S171-Y271 VanDerWaalsContact C-OH 3.29Å; S171-Y271 VanDerWaalsContact CB-OH 3.28Å; S171-Y271 WeakPolarHBondContact CB-OH 3.48Å; S171-Y271 PolarHBondContact OG-OH 3.16Å; S171-Y271 VanDerWaalsContact OG-OH 3.08Å
172	T	92.7	Very high	96	Very high	11 Å²	11	33 Å²	33	7%	0.067	18%	0.18	C	C	.	.			trans	-136.9	166.7	170.5	-164.6	0	0	0	0	108.5	T183 V187 R228 P230 Y271	T172-T183 HydrophobicContact CG2-CG2 3.73Å; T172-V187 HydrophobicContact CG2-CG2 3.68Å; T172-R228 PolarHBondContact O-NH1 2.89Å; T172-P230 HydrophobicContact CG2-CB 3.6Å; T172-P230 HydrophobicContact CG2-CG 3.77Å; T172-Y271 VanDerWaalsContact CA-OH 3.28Å; T172-Y271 WeakPolarHBondContact CA-OH 3.4Å; T172-Y271 PolarHBondContact N-OH 3.35Å; T172-Y271 VanDerWaalsContact N-OH 3.11Å; T172-Y271 PolarHBondContact O-OH 2.99Å
173	F	93.6	Very high	95.9	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.031	18%	0.182	C	C	.	.			trans	-135.7	168.2	177.2	63.2	-90.2	0	0	0	108.9	A227 Y271 I276 I279 M283 I304 M307	F173-A227 CarbonylContact C-O 3.57Å; F173-A227 VanDerWaalsContact CA-O 3.27Å; F173-A227 WeakPolarHBondContact CA-O 3.45Å; F173-Y271 HydrophobicContact CD1-CD1 4.47Å; F173-Y271 AromaticContact CD1-CE1 3.75Å; F173-Y271 HydrophobicContact CD1-CE1 3.75Å; F173-Y271 HydrophobicContact CE1-CE1 4.21Å; F173-I276 HydrophobicContact CE1-CB 4.31Å; F173-I276 HydrophobicContact CE1-CG1 4.13Å; F173-I276 HydrophobicContact CE1-CG2 4.06Å; F173-I276 HydrophobicContact CZ-CB 4.44Å; F173-I276 HydrophobicContact CZ-CG2 3.79Å; F173-I279 HydrophobicContact CD1-CD1 4.45Å; F173-I279 HydrophobicContact CD1-CG2 4.18Å; F173-I279 HydrophobicContact CE1-CB 3.94Å; F173-I279 HydrophobicContact CE1-CD1 4.03Å; F173-I279 HydrophobicContact CE1-CG2 3.67Å; F173-I279 HydrophobicContact CE2-CG2 4.27Å; F173-I279 HydrophobicContact CZ-CB 4.05Å; F173-I279 HydrophobicContact CZ-CG2 3.72Å; F173-M283 HydrophobicContact CD2-CE 3.99Å; F173-M283 HydrophobicContact CE2-CE 3.89Å; F173-M283 WeakPolarHBondContact O-CE 3.39Å; F173-I304 HydrophobicContact CE2-CD1 3.67Å; F173-I304 HydrophobicContact CZ-CD1 4.42Å; F173-M307 HydrophobicContact CB-CE 4.25Å; F173-M307 HydrophobicContact CB-CG 4.28Å; F173-M307 HydrophobicContact CB-SD 3.86Å; F173-M307 HydrophobicContact CD1-CE 3.88Å; F173-M307 HydrophobicContact CD1-CG 3.67Å; F173-M307 HydrophobicContact CD1-SD 4.11Å; F173-M307 HydrophobicContact CD2-CB 4.22Å; F173-M307 HydrophobicContact CD2-CG 3.77Å; F173-M307 HydrophobicContact CD2-SD 4.43Å; F173-M307 HydrophobicContact CE1-CG 3.88Å; F173-M307 HydrophobicContact CE2-CB 4.27Å; F173-M307 HydrophobicContact CE2-CG 3.98Å; F173-M307 HydrophobicContact CG-CE 4.21Å; F173-M307 HydrophobicContact CG-CG 3.62Å; F173-M307 HydrophobicContact CG-SD 3.87Å; F173-M307 HydrophobicContact CZ-CG 4.04Å
174	G	93.7	Very high	95.9	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	19%	0.189	C	C	.	.			trans	134.3	143.9	-179.8	0	0	0	0	0	110.6	A227	G174-A227 PolarHBondContact N-O 3.21Å; G174-A227 CarbonylContact O-C 3.25Å; G174-A227 VanDerWaalsContact O-C 3.25Å; G174-A227 WeakPolarHBondContact O-CA 3.35Å
175	E	94.3	Very high	95.9	Very high	29 Å²	29	40.2 Å²	40.2	14%	0.136	21%	0.213	C	C	.	.			trans	-64.3	160.2	174.6	-61.1	-170.5	173.8	0	0	110.4	E177 F178 T179 A227 Y299 K303	E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 3.47Å; E175-F178 HydrophobicContact CB-CB 4.46Å; E175-F178 HydrophobicContact CB-CD2 3.96Å; E175-F178 HydrophobicContact CB-CE2 4.31Å; E175-F178 HydrophobicContact CB-CG 4.06Å; E175-F178 HydrophobicContact CG-CD2 4.26Å; E175-F178 HydrophobicContact CG-CE2 4.32Å; E175-F178 WeakPolarHBondContact O-CA 3.05Å; E175-F178 WeakPolarHBondContact O-CB 3.3Å; E175-F178 PolarHBondContact O-N 3.49Å; E175-T179 PolarHBondContact O-N 3.31Å; E175-T179 VanDerWaalsContact O-N 3.15Å; E175-T179 PolarHBondContact O-OG1 2.9Å; E175-A227 HydrophobicContact CG-CB 4.19Å; E175-Y299 VanDerWaalsContact CD-OH 3.25Å; E175-Y299 PolarHBondContact OE1-OH 2.78Å; E175-Y299 WeakPolarHBondContact OE2-CE1 3.44Å; E175-Y299 PolarHBondContact OE2-OH 2.6Å; E175-K303 WeakPolarHBondContact OE1-CD 3.4Å; E175-K303 WeakPolarHBondContact OE1-CE 3.28Å; E175-K303 IonicContact OE1-NZ 3.11Å; E175-K303 PolarHBondContact OE1-NZ 3.03Å
176	V	95.8	Very high	95.8	Very high	98 Å²	98	45 Å²	45	59%	0.594	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-54.9	-46.5	-170.9	175.1	0	0	0	0	111.3	F178 T179	V176-F178 PolarHBondContact O-N 3.45Å; V176-T179 PolarHBondContact O-N 3.48Å; V176-T179 PolarHBondContact O-OG1 3.12Å
177	E	95.7	Very high	95.8	Very high	107 Å²	107	45 Å²	45	50%	0.5	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-74.3	-13.9	178.6	-61.1	-163.2	111.5	0	0	113.6	E175 L287 V291 Y295	E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 3.47Å; E177-L287 WeakPolarHBondContact O-CD1 3.3Å; E177-V291 HydrophobicContact CB-CG1 4.15Å; E177-V291 HydrophobicContact CB-CG2 4.46Å; E177-Y295 WeakPolarHBondContact OE2-CE2 3.35Å; E177-Y295 VanDerWaalsContact OE2-CZ 3.31Å; E177-Y295 PolarHBondContact OE2-OH 3.08Å
178	F	95.4	Very high	95.8	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.039	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-87.8	-21.5	179.2	-61.3	-1.8	0	0	0	112.4	E175 V176 M283 L287 V291 Y295 Y299 F300	E175-F178 HydrophobicContact CB-CB 4.46Å; E175-F178 HydrophobicContact CB-CD2 3.96Å; E175-F178 HydrophobicContact CB-CE2 4.31Å; E175-F178 HydrophobicContact CB-CG 4.06Å; E175-F178 HydrophobicContact CG-CD2 4.26Å; E175-F178 HydrophobicContact CG-CE2 4.32Å; E175-F178 WeakPolarHBondContact O-CA 3.05Å; E175-F178 WeakPolarHBondContact O-CB 3.3Å; E175-F178 PolarHBondContact O-N 3.49Å; V176-F178 PolarHBondContact O-N 3.45Å; F178-M283 HydrophobicContact CB-CG 3.92Å; F178-M283 HydrophobicContact CB-SD 3.61Å; F178-M283 HydrophobicContact CD2-SD 4.3Å; F178-M283 HydrophobicContact CG-SD 4.44Å; F178-M283 WeakPolarHBondContact O-CG 3.39Å; F178-L287 HydrophobicContact CB-CD1 4.18Å; F178-L287 HydrophobicContact CD1-CD1 3.87Å; F178-L287 HydrophobicContact CD1-CD2 4.19Å; F178-L287 HydrophobicContact CE1-CD2 4.41Å; F178-L287 HydrophobicContact CG-CD1 4.31Å; F178-V291 HydrophobicContact CD1-CG1 3.82Å; F178-V291 HydrophobicContact CE1-CG1 3.71Å; F178-Y295 HydrophobicContact CE1-CD1 4.03Å; F178-Y295 AromaticContact CE1-CD2 3.8Å; F178-Y295 HydrophobicContact CE1-CD2 3.8Å; F178-Y295 HydrophobicContact CE1-CE1 4.33Å; F178-Y295 HydrophobicContact CE1-CE2 4.12Å; F178-Y295 AromaticContact CE1-CG 3.73Å; F178-Y295 HydrophobicContact CE1-CG 3.73Å; F178-Y295 AromaticContact CZ-CD1 3.81Å; F178-Y295 HydrophobicContact CZ-CD1 3.81Å; F178-Y295 HydrophobicContact CZ-CD2 4.33Å; F178-Y295 HydrophobicContact CZ-CE1 4.34Å; F178-Y295 AromaticContact CZ-CG 3.78Å; F178-Y295 HydrophobicContact CZ-CG 3.78Å; F178-Y299 HydrophobicContact CE2-CD1 4.17Å; F178-Y299 AromaticContact CE2-CE1 3.96Å; F178-Y299 HydrophobicContact CE2-CE1 3.96Å; F178-Y299 AromaticContact CZ-CD1 3.86Å; F178-Y299 HydrophobicContact CZ-CD1 3.86Å; F178-Y299 AromaticContact CZ-CE1 3.71Å; F178-Y299 HydrophobicContact CZ-CE1 3.71Å; F178-F300 AromaticContact CD2-CD2 3.92Å; F178-F300 HydrophobicContact CD2-CD2 3.92Å; F178-F300 HydrophobicContact CD2-CE2 4.28Å; F178-F300 AromaticContact CE2-CD2 3.96Å; F178-F300 HydrophobicContact CE2-CD2 3.96Å
179	T	95.1	Very high	95.8	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.086	24%	0.243	C	C	.	.	S	Bend	trans	-99.4	126.5	-176.7	53.5	0	0	0	0	111.8	E175 V176 Y184 P230	E175-T179 PolarHBondContact O-N 3.31Å; E175-T179 VanDerWaalsContact O-N 3.15Å; E175-T179 PolarHBondContact O-OG1 2.9Å; V176-T179 PolarHBondContact O-N 3.48Å; V176-T179 PolarHBondContact O-OG1 3.12Å; T179-Y184 VanDerWaalsContact OG1-CE2 3.23Å; T179-Y184 WeakPolarHBondContact OG1-CE2 3.32Å; T179-P230 HydrophobicContact CG2-CG 3.9Å
180	S	95.3	Very high	95.9	Very high	27 Å²	27	46.6 Å²	46.6	19%	0.189	24%	0.236	C	C	.	.			trans	-70.2	155.6	175.9	54.7	0	0	0	0	112.6	E182 T183 Y184 E286	S180-E182 PolarHBondContact O-N 2.97Å; S180-T183 VanDerWaalsContact O-CB 3.28Å; S180-T183 WeakPolarHBondContact O-CB 3.17Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 PolarHBondContact OG-N 2.88Å; S180-T183 PolarHBondContact OG-OG1 3.41Å; S180-Y184 WeakPolarHBondContact O-CD2 3.26Å; S180-Y184 PolarHBondContact O-N 3.19Å; S180-E286 PolarHBondContact OG-OE2 3.41Å
181	M	96.3	Very high	96	Very high	118 Å²	118	43.7 Å²	43.7	58%	0.581	22%	0.221	S	C	*	.	H	α-helix	trans	-60.3	-30.4	174.2	-79.2	-55.7	-53.2	0	0	112.3	T183 Y184 K185	M181-T183 VanDerWaalsContact C-N 3.31Å; M181-Y184 WeakPolarHBondContact O-CB 3.1Å; M181-Y184 PolarHBondContact O-N 2.94Å; M181-K185 WeakPolarHBondContact O-CG 3.17Å; M181-K185 PolarHBondContact O-N 2.87Å
182	E	96.6	Very high	96.3	Very high	106 Å²	106	44.3 Å²	44.3	50%	0.495	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-40.7	175.4	-72.6	52.7	-117.9	0	0	110.1	S180 Y184 K185 E186	S180-E182 PolarHBondContact O-N 2.97Å; E182-Y184 PolarHBondContact O-N 2.75Å; E182-K185 PolarHBondContact O-N 3.29Å; E182-K185 IonicContact OE1-NZ 2.69Å; E182-K185 PolarHBondContact OE1-NZ 3.17Å; E182-E186 WeakPolarHBondContact O-CB 3.24Å; E182-E186 PolarHBondContact O-N 3.2Å
183	T	95.3	Very high	96.6	Very high	16 Å²	16	50 Å²	50	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-41.5	173	-60.4	0	0	0	0	111.8	T172 S180 M181 V187	T172-T183 HydrophobicContact CG2-CG2 3.73Å; S180-T183 VanDerWaalsContact O-CB 3.28Å; S180-T183 WeakPolarHBondContact O-CB 3.17Å; S180-T183 PolarHBondContact O-N 3.48Å; S180-T183 PolarHBondContact OG-N 2.88Å; S180-T183 PolarHBondContact OG-OG1 3.41Å; M181-T183 VanDerWaalsContact C-N 3.31Å; T183-V187 WeakPolarHBondContact O-CG2 2.94Å; T183-V187 PolarHBondContact O-N 3.25Å; T183-V187 VanDerWaalsContact O-N 3.14Å
184	Y	97.3	Very high	96.9	Very high	37 Å²	37	49.7 Å²	49.7	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-46.5	173.9	-81.7	-101.2	0	0	0	111.9	T179 S180 M181 E182 A188 S229 P230 I233	T179-Y184 VanDerWaalsContact OG1-CE2 3.23Å; T179-Y184 WeakPolarHBondContact OG1-CE2 3.32Å; S180-Y184 WeakPolarHBondContact O-CD2 3.26Å; S180-Y184 PolarHBondContact O-N 3.19Å; M181-Y184 WeakPolarHBondContact O-CB 3.1Å; M181-Y184 PolarHBondContact O-N 2.94Å; E182-Y184 PolarHBondContact O-N 2.75Å; Y184-A188 WeakPolarHBondContact O-CB 3.22Å; Y184-A188 PolarHBondContact O-N 3.27Å; Y184-S229 VanDerWaalsContact OH-CB 3.27Å; Y184-S229 WeakPolarHBondContact OH-CB 3.26Å; Y184-S229 PolarHBondContact OH-OG 3.16Å; Y184-P230 HydrophobicContact CD1-CB 3.98Å; Y184-P230 HydrophobicContact CD1-CG 4.37Å; Y184-P230 HydrophobicContact CD2-CB 4.25Å; Y184-P230 HydrophobicContact CD2-CG 4.09Å; Y184-P230 HydrophobicContact CE1-CB 4.1Å; Y184-P230 HydrophobicContact CE1-CG 4.09Å; Y184-P230 HydrophobicContact CE2-CB 4.39Å; Y184-P230 HydrophobicContact CE2-CG 3.81Å; Y184-P230 HydrophobicContact CG-CB 4.06Å; Y184-P230 HydrophobicContact CG-CG 4.36Å; Y184-I233 HydrophobicContact CD1-CG2 4.1Å; Y184-I233 HydrophobicContact CE1-CG2 4.38Å
185	K	98.1	Very high	97.1	Very high	118 Å²	118	49.9 Å²	49.9	51%	0.513	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-44.1	179.8	-68.6	166.5	-169	161.5	0	111.2	M181 E182 A188 E189	M181-K185 WeakPolarHBondContact O-CG 3.17Å; M181-K185 PolarHBondContact O-N 2.87Å; E182-K185 PolarHBondContact O-N 3.29Å; E182-K185 IonicContact OE1-NZ 2.69Å; E182-K185 PolarHBondContact OE1-NZ 3.17Å; K185-A188 PolarHBondContact O-N 2.91Å; K185-E189 VanDerWaalsContact O-CB 3.25Å; K185-E189 WeakPolarHBondContact O-CB 3.47Å; K185-E189 PolarHBondContact O-N 2.95Å
186	E	97.3	Very high	97.4	Very high	101 Å²	101	49.8 Å²	49.8	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-49.4	179.2	-175.4	-179.3	171.8	0	0	111.6	I170 E182 E189 V190 K282	I170-E186 HydrophobicContact CD1-CG 4.31Å; E182-E186 WeakPolarHBondContact O-CB 3.24Å; E182-E186 PolarHBondContact O-N 3.2Å; E186-E189 PolarHBondContact O-N 3.42Å; E186-V190 PolarHBondContact O-N 2.94Å; E186-K282 IonicContact OE2-NZ 3.24Å
187	V	97.7	Very high	97.5	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-38.5	178.6	-178.7	0	0	0	0	111.4	I170 T172 T183 N191 T234	I170-V187 HydrophobicContact CD1-CG2 4.16Å; I170-V187 HydrophobicContact CG1-CG1 4.45Å; I170-V187 HydrophobicContact CG1-CG2 4.37Å; T172-V187 HydrophobicContact CG2-CG2 3.68Å; T183-V187 WeakPolarHBondContact O-CG2 2.94Å; T183-V187 PolarHBondContact O-N 3.25Å; T183-V187 VanDerWaalsContact O-N 3.14Å; V187-N191 WeakPolarHBondContact CG1-ND2 3.44Å; V187-N191 VanDerWaalsContact O-CB 3.28Å; V187-N191 WeakPolarHBondContact O-CB 3.27Å; V187-N191 PolarHBondContact O-N 2.98Å; V187-T234 HydrophobicContact CG1-CG2 4.06Å
188	A	98.7	Very high	97.7	Very high	15 Å²	15	42.4 Å²	42.4	12%	0.124	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-38.2	175.6	0	0	0	0	0	112.7	Y184 K185 V190 L192 W193 T234	Y184-A188 WeakPolarHBondContact O-CB 3.22Å; Y184-A188 PolarHBondContact O-N 3.27Å; K185-A188 PolarHBondContact O-N 2.91Å; A188-V190 VanDerWaalsContact C-N 3.3Å; A188-V190 PolarHBondContact O-N 2.92Å; A188-L192 WeakPolarHBondContact O-CA 3.4Å; A188-L192 WeakPolarHBondContact O-CB 3.24Å; A188-L192 PolarHBondContact O-N 3.41Å; A188-W193 PolarHBondContact O-N 3.4Å; A188-T234 VanDerWaalsContact CA-CG2 3.45Å; A188-T234 HydrophobicContact CB-CG2 3.91Å
189	E	98.7	Very high	97.8	Very high	62 Å²	62	42 Å²	42	29%	0.29	20%	0.2	S	C	.	.	I	π-helix	trans	-59.8	-42.4	-179.4	-173.7	50.9	-135.7	0	0	111.7	C138 K185 E186 G194 R197	C138-E189 HydrophobicContact CB-CG 4.03Å; K185-E189 VanDerWaalsContact O-CB 3.25Å; K185-E189 WeakPolarHBondContact O-CB 3.47Å; K185-E189 PolarHBondContact O-N 2.95Å; E186-E189 PolarHBondContact O-N 3.42Å; E189-G194 PolarHBondContact O-N 3.41Å; E189-R197 IonicContact OE1-CZ 3.2Å; E189-R197 VanDerWaalsContact OE1-CZ 3.26Å; E189-R197 IonicContact OE1-NH1 3.7Å; E189-R197 PolarHBondContact OE1-NH1 3.18Å; E189-R197 IonicContact OE1-NH2 2.98Å; E189-R197 PolarHBondContact OE1-NH2 3.23Å
190	V	98.5	Very high	98	Very high	24 Å²	24	48.1 Å²	48.1	15%	0.145	23%	0.225	C	C	.	.	I	π-helix	trans	-76.9	-59.1	175.7	-174.2	0	0	0	0	111.2	V137 C138 I170 E186 A188 G194	V137-V190 HydrophobicContact CG2-CG1 4.04Å; C138-V190 VanDerWaalsContact SG-CG2 3.59Å; I170-V190 HydrophobicContact CD1-CB 4.37Å; I170-V190 HydrophobicContact CD1-CG2 3.82Å; I170-V190 HydrophobicContact CG1-CB 4.05Å; I170-V190 HydrophobicContact CG1-CG1 4.43Å; I170-V190 HydrophobicContact CG1-CG2 4.03Å; I170-V190 HydrophobicContact CG2-CG1 4.39Å; E186-V190 PolarHBondContact O-N 2.94Å; A188-V190 VanDerWaalsContact C-N 3.3Å; A188-V190 PolarHBondContact O-N 2.92Å; V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.8Å
191	N	98.6	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-74.8	-38.4	-163.6	-67.6	0.4	0	0	0	113	G169 I170 V187 T195 T234 V238	G169-N191 WeakPolarHBondContact CA-OD1 3.34Å; I170-N191 PolarHBondContact N-OD1 2.87Å; I170-N191 PolarHBondContact O-ND2 3.31Å; I170-N191 PolarHBondContact O-OD1 3.02Å; V187-N191 WeakPolarHBondContact CG1-ND2 3.44Å; V187-N191 VanDerWaalsContact O-CB 3.28Å; V187-N191 WeakPolarHBondContact O-CB 3.27Å; V187-N191 PolarHBondContact O-N 2.98Å; N191-T195 WeakPolarHBondContact O-CB 3.49Å; N191-T195 PolarHBondContact O-OG1 2.77Å; N191-T234 HydrophobicContact CB-CG2 4.22Å; N191-T234 WeakPolarHBondContact CB-OG1 3.42Å; N191-T234 PolarHBondContact ND2-OG1 3.01Å; N191-V238 WeakPolarHBondContact O-CG2 3.26Å
192	L	98.8	Very high	98.2	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.126	20%	0.196	C	C	.	.	I	π-helix	trans	-100.8	-61.5	-175.4	177.9	59.9	0	0	0	110.5	A188 G194 T195 V196 V238	A188-L192 WeakPolarHBondContact O-CA 3.4Å; A188-L192 WeakPolarHBondContact O-CB 3.24Å; A188-L192 PolarHBondContact O-N 3.41Å; L192-G194 PolarHBondContact O-N 3.32Å; L192-T195 WeakPolarHBondContact O-CB 3.31Å; L192-T195 PolarHBondContact O-N 2.9Å; L192-V196 HydrophobicContact CD1-CG2 4.42Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.39Å; L192-V238 HydrophobicContact CD1-CG2 4.19Å
193	W	98.8	Very high	98.3	Very high	130 Å²	130	38.5 Å²	38.5	49%	0.492	18%	0.179	S	C	.	.	I	π-helix	trans	-68.6	-37.6	-175.1	-55	137	0	0	0	112	A188 V196 R197	A188-W193 PolarHBondContact O-N 3.4Å; W193-V196 PolarHBondContact O-N 2.9Å; W193-R197 WeakPolarHBondContact O-CB 3.47Å; W193-R197 PolarHBondContact O-N 3.09Å
194	G	98.8	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.01	19%	0.189	C	C	.	.	I	π-helix	trans	-56.9	-49.5	170.4	0	0	0	0	0	112.4	V137 E189 V190 L192 V196 R197 T198	V137-G194 WeakPolarHBondContact O-CA 3.47Å; E189-G194 PolarHBondContact O-N 3.41Å; V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.8Å; L192-G194 PolarHBondContact O-N 3.32Å; G194-V196 PolarHBondContact O-N 2.81Å; G194-R197 PolarHBondContact O-N 3.04Å; G194-T198 WeakPolarHBondContact O-CB 3.24Å; G194-T198 PolarHBondContact O-N 2.98Å; G194-T198 PolarHBondContact O-OG1 3.14Å; G194-T198 VanDerWaalsContact O-OG1 3.09Å
195	T	98.9	Very high	98.4	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	18%	0.184	C	C	.	.	H	α-helix	trans	-56.8	-47.6	175.2	-64.7	0	0	0	0	111.9	N166 N191 L192 T199 V238 F241	N166-T195 HydrophobicContact CB-CG2 3.88Å; N191-T195 WeakPolarHBondContact O-CB 3.49Å; N191-T195 PolarHBondContact O-OG1 2.77Å; L192-T195 WeakPolarHBondContact O-CB 3.31Å; L192-T195 PolarHBondContact O-N 2.9Å; T195-T199 WeakPolarHBondContact O-CB 3.33Å; T195-T199 PolarHBondContact O-N 2.89Å; T195-T199 PolarHBondContact O-OG1 3.14Å; T195-V238 HydrophobicContact CG2-CG2 4.38Å; T195-F241 HydrophobicContact CG2-CD1 4.27Å; T195-F241 HydrophobicContact CG2-CE1 4.23Å
196	V	98.9	Very high	98.4	Very high	27 Å²	27	33 Å²	33	16%	0.164	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-47.5	179.9	172.5	0	0	0	0	110.8	L192 W193 G194 T199 K200 F241	L192-V196 HydrophobicContact CD1-CG2 4.42Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.39Å; W193-V196 PolarHBondContact O-N 2.9Å; G194-V196 PolarHBondContact O-N 2.81Å; V196-T199 PolarHBondContact O-N 3.32Å; V196-K200 HydrophobicContact CG1-CD 3.8Å; V196-K200 HydrophobicContact CG1-CG 4.36Å; V196-K200 WeakPolarHBondContact O-CB 3.45Å; V196-K200 VanDerWaalsContact O-CG 3.28Å; V196-K200 WeakPolarHBondContact O-CG 3.28Å; V196-K200 PolarHBondContact O-N 2.95Å; V196-F241 HydrophobicContact CB-CZ 4.45Å; V196-F241 HydrophobicContact CG1-CE2 4.24Å; V196-F241 HydrophobicContact CG1-CZ 4.49Å; V196-F241 HydrophobicContact CG2-CD1 4.06Å; V196-F241 HydrophobicContact CG2-CD2 3.87Å; V196-F241 HydrophobicContact CG2-CE1 4.19Å; V196-F241 HydrophobicContact CG2-CE2 4.02Å; V196-F241 HydrophobicContact CG2-CG 3.9Å; V196-F241 HydrophobicContact CG2-CZ 4.17Å
197	R	98.8	Very high	98.3	Very high	49 Å²	49	33.5 Å²	33.5	19%	0.185	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-56.4	-179.3	-178.2	-173.4	-67.3	107.3	0.5	111	V137 S140 V143 E189 W193 G194 T199 K200 S201	V137-R197 WeakPolarHBondContact O-CD 3.41Å; V137-R197 PolarHBondContact O-NH1 3Å; S140-R197 WeakPolarHBondContact OG-CD 3.2Å; S140-R197 PolarHBondContact OG-NE 3.15Å; V143-R197 HydrophobicContact CG2-CG 4.36Å; E189-R197 IonicContact OE1-CZ 3.2Å; E189-R197 VanDerWaalsContact OE1-CZ 3.26Å; E189-R197 IonicContact OE1-NH1 3.7Å; E189-R197 PolarHBondContact OE1-NH1 3.18Å; E189-R197 IonicContact OE1-NH2 2.98Å; E189-R197 PolarHBondContact OE1-NH2 3.23Å; W193-R197 WeakPolarHBondContact O-CB 3.47Å; W193-R197 PolarHBondContact O-N 3.09Å; G194-R197 PolarHBondContact O-N 3.04Å; R197-T199 VanDerWaalsContact C-N 3.31Å; R197-T199 PolarHBondContact O-N 3.11Å; R197-K200 PolarHBondContact O-N 3.15Å; R197-S201 PolarHBondContact O-N 3.28Å; R197-S201 PolarHBondContact O-OG 3.36Å
198	T	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-42.2	179.6	-55	0	0	0	0	111.4	L82 T84 L164 G194 K200 S201 F202	L82-T198 HydrophobicContact CD2-CG2 4.36Å; T84-T198 HydrophobicContact CG2-CG2 4.05Å; L164-T198 HydrophobicContact CD1-CG2 3.91Å; L164-T198 HydrophobicContact CD2-CG2 4.31Å; G194-T198 WeakPolarHBondContact O-CB 3.24Å; G194-T198 PolarHBondContact O-N 2.98Å; G194-T198 PolarHBondContact O-OG1 3.14Å; G194-T198 VanDerWaalsContact O-OG1 3.09Å; T198-K200 PolarHBondContact O-N 3.25Å; T198-S201 PolarHBondContact O-N 2.93Å; T198-F202 HydrophobicContact CG2-CD2 4.04Å; T198-F202 HydrophobicContact CG2-CE2 4.42Å; T198-F202 WeakPolarHBondContact O-CD2 3.44Å; T198-F202 PolarHBondContact O-N 3.41Å; T198-F202 VanDerWaalsContact O-N 3.11Å
199	T	98.9	Very high	98	Very high	1 Å²	1	38 Å²	38	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-49.9	176.2	-58.9	0	0	0	0	111.5	N166 T195 V196 R197 S201 F202 L203 V213 F241 L245	N166-T199 PolarHBondContact ND2-OG1 2.82Å; T195-T199 WeakPolarHBondContact O-CB 3.33Å; T195-T199 PolarHBondContact O-N 2.89Å; T195-T199 PolarHBondContact O-OG1 3.14Å; V196-T199 PolarHBondContact O-N 3.32Å; R197-T199 VanDerWaalsContact C-N 3.31Å; R197-T199 PolarHBondContact O-N 3.11Å; T199-S201 PolarHBondContact O-N 3.24Å; T199-F202 PolarHBondContact O-N 3.41Å; T199-L203 VanDerWaalsContact O-CB 3.26Å; T199-L203 WeakPolarHBondContact O-CB 3.41Å; T199-L203 PolarHBondContact O-N 3.12Å; T199-V213 HydrophobicContact CG2-CG1 4.38Å; T199-F241 HydrophobicContact CG2-CE1 4.09Å; T199-F241 HydrophobicContact CG2-CZ 3.83Å; T199-L245 HydrophobicContact CG2-CD1 4.36Å; T199-L245 HydrophobicContact CG2-CD2 3.64Å
200	K	98.6	Very high	97.9	Very high	142 Å²	142	41.6 Å²	41.6	62%	0.617	19%	0.188	S	C	*	.	H	α-helix	trans	-60.1	-43.6	-178.5	-75.1	175.5	74.5	95.2	0	112.1	V196 R197 T198 L203 P204	V196-K200 HydrophobicContact CG1-CD 3.8Å; V196-K200 HydrophobicContact CG1-CG 4.36Å; V196-K200 WeakPolarHBondContact O-CB 3.45Å; V196-K200 VanDerWaalsContact O-CG 3.28Å; V196-K200 WeakPolarHBondContact O-CG 3.28Å; V196-K200 PolarHBondContact O-N 2.95Å; R197-K200 PolarHBondContact O-N 3.15Å; T198-K200 PolarHBondContact O-N 3.25Å; K200-L203 PolarHBondContact O-N 2.93Å; K200-P204 WeakPolarHBondContact O-CD 3.24Å
201	S	98.7	Very high	97.8	Very high	23 Å²	23	40.4 Å²	40.4	16%	0.161	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-38.8	179.5	-61.5	0	0	0	0	112.6	V143 E144 R197 T198 T199 P204	V143-S201 WeakPolarHBondContact CG1-OG 3.28Å; E144-S201 WeakPolarHBondContact OE1-CB 3.48Å; E144-S201 PolarHBondContact OE1-OG 3.2Å; R197-S201 PolarHBondContact O-N 3.28Å; R197-S201 PolarHBondContact O-OG 3.36Å; T198-S201 PolarHBondContact O-N 2.93Å; T199-S201 PolarHBondContact O-N 3.24Å; S201-P204 WeakPolarHBondContact O-CD 3.04Å
202	F	98.5	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-85.6	-18.6	179.4	-85.2	-88.2	0	0	0	114.7	L82 V146 V147 V150 M161 L164 T198 T199 P204 L205 I206	L82-F202 HydrophobicContact CD2-CD1 4.39Å; L82-F202 HydrophobicContact CD2-CD2 3.9Å; L82-F202 HydrophobicContact CD2-CE1 3.9Å; L82-F202 HydrophobicContact CD2-CE2 3.35Å; L82-F202 HydrophobicContact CD2-CG 4.39Å; L82-F202 HydrophobicContact CD2-CZ 3.37Å; V146-F202 HydrophobicContact CG1-CZ 4.03Å; V147-F202 HydrophobicContact CB-CE2 4.42Å; V147-F202 HydrophobicContact CB-CZ 4.22Å; V147-F202 HydrophobicContact CG2-CD1 4.41Å; V147-F202 HydrophobicContact CG2-CD2 3.7Å; V147-F202 HydrophobicContact CG2-CE1 4.13Å; V147-F202 HydrophobicContact CG2-CE2 3.35Å; V147-F202 HydrophobicContact CG2-CG 4.21Å; V147-F202 HydrophobicContact CG2-CZ 3.57Å; V150-F202 HydrophobicContact CB-CE1 4.16Å; V150-F202 HydrophobicContact CG1-CE1 4.29Å; V150-F202 HydrophobicContact CG2-CE1 3.98Å; V150-F202 HydrophobicContact CG2-CZ 4.19Å; M161-F202 HydrophobicContact CE-CD1 3.69Å; M161-F202 HydrophobicContact CE-CE1 4Å; M161-F202 HydrophobicContact CG-CD1 4.34Å; M161-F202 HydrophobicContact SD-CD1 4.34Å; M161-F202 HydrophobicContact SD-CE1 4.4Å; L164-F202 HydrophobicContact CD2-CB 4.21Å; T198-F202 HydrophobicContact CG2-CD2 4.04Å; T198-F202 HydrophobicContact CG2-CE2 4.42Å; T198-F202 WeakPolarHBondContact O-CD2 3.44Å; T198-F202 PolarHBondContact O-N 3.41Å; T198-F202 VanDerWaalsContact O-N 3.11Å; T199-F202 PolarHBondContact O-N 3.41Å; F202-P204 VanDerWaalsContact C-CD 3.42Å; F202-P204 VanDerWaalsContact C-N 3.33Å; F202-L205 HydrophobicContact CD1-CD1 4.45Å; F202-L205 PolarHBondContact O-N 2.78Å; F202-I206 HydrophobicContact CB-CD1 3.93Å; F202-I206 HydrophobicContact CB-CG1 4.5Å; F202-I206 WeakPolarHBondContact O-CG1 3.35Å; F202-I206 PolarHBondContact O-N 2.96Å; F202-I206 VanDerWaalsContact O-N 3.09Å
203	L	98	Very high	97.8	Very high	27 Å²	27	40 Å²	40	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-55.2	-38.7	-173.8	-162.4	59.6	0	0	0	113.8	T199 K200 L205 I206 R207 L245 M249	T199-L203 VanDerWaalsContact O-CB 3.26Å; T199-L203 WeakPolarHBondContact O-CB 3.41Å; T199-L203 PolarHBondContact O-N 3.12Å; K200-L203 PolarHBondContact O-N 2.93Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.1Å; L203-I206 PolarHBondContact O-N 2.94Å; L203-R207 WeakPolarHBondContact O-CB 3.38Å; L203-R207 VanDerWaalsContact O-CG 3.27Å; L203-R207 WeakPolarHBondContact O-CG 3.5Å; L203-R207 PolarHBondContact O-N 3.37Å; L203-L245 HydrophobicContact CD1-CD1 4.09Å; L203-L245 HydrophobicContact CD2-CD1 3.84Å; L203-M249 HydrophobicContact CD1-CG 4.16Å; L203-M249 HydrophobicContact CD1-SD 3.77Å; L203-M249 HydrophobicContact CD2-CE 4.23Å; L203-M249 HydrophobicContact CD2-SD 3.79Å; L203-M249 HydrophobicContact CG-SD 3.92Å
204	P	97.4	Very high	97.8	Very high	48 Å²	48	33.9 Å²	33.9	31%	0.312	16%	0.155	S	C	.	.	H	α-helix	trans	-58.9	-39.1	175.4	-26.1	36.3	0	0	0	114.3	K200 S201 F202 R207 R208	K200-P204 WeakPolarHBondContact O-CD 3.24Å; S201-P204 WeakPolarHBondContact O-CD 3.04Å; F202-P204 VanDerWaalsContact C-CD 3.42Å; F202-P204 VanDerWaalsContact C-N 3.33Å; P204-R207 WeakPolarHBondContact O-CG 3.46Å; P204-R208 WeakPolarHBondContact O-CG 3.46Å; P204-R208 VanDerWaalsContact O-CZ 3.26Å; P204-R208 PolarHBondContact O-N 3.36Å; P204-R208 PolarHBondContact O-NE 3.46Å
205	L	96.9	Very high	97.8	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-72.7	-46.6	177.4	-66.8	170.4	0	0	0	110.6	V147 P157 M161 F202 L203 R207 R208 A209	V147-L205 HydrophobicContact CG1-CD1 4.1Å; P157-L205 HydrophobicContact CB-CD2 3.99Å; M161-L205 HydrophobicContact CB-CB 3.77Å; M161-L205 HydrophobicContact CG-CB 3.87Å; F202-L205 HydrophobicContact CD1-CD1 4.45Å; F202-L205 PolarHBondContact O-N 2.78Å; L203-L205 VanDerWaalsContact C-N 3.33Å; L203-L205 PolarHBondContact O-N 3.1Å; L205-R207 PolarHBondContact O-N 3.17Å; L205-R208 PolarHBondContact O-N 3.34Å; L205-A209 PolarHBondContact O-N 3.05Å; L205-A209 VanDerWaalsContact O-N 3.12Å
206	I	97.3	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-41.3	-178.1	-63.8	170.5	0	0	0	111.7	M161 L164 F202 L203 A209 K210 G211 V213 V254	M161-I206 HydrophobicContact CG-CG1 4.1Å; L164-I206 HydrophobicContact CB-CD1 3.46Å; L164-I206 VanDerWaalsContact CB-CD1 3.46Å; L164-I206 HydrophobicContact CD2-CD1 4.24Å; F202-I206 HydrophobicContact CB-CD1 3.93Å; F202-I206 HydrophobicContact CB-CG1 4.5Å; F202-I206 WeakPolarHBondContact O-CG1 3.35Å; F202-I206 PolarHBondContact O-N 2.96Å; F202-I206 VanDerWaalsContact O-N 3.09Å; L203-I206 PolarHBondContact O-N 2.94Å; I206-A209 CarbonylContact O-C 3.58Å; I206-A209 PolarHBondContact O-N 2.84Å; I206-K210 PolarHBondContact O-N 2.91Å; I206-K210 VanDerWaalsContact O-N 3.07Å; I206-G211 PolarHBondContact O-N 3.34Å; I206-V213 HydrophobicContact CD1-CG2 4.03Å; I206-V213 HydrophobicContact CG2-CG2 4.17Å; I206-V254 HydrophobicContact CG2-CG1 3.85Å; I206-V254 HydrophobicContact CG2-CG2 4.33Å
207	R	96.9	Very high	97.7	Very high	112 Å²	112	32.8 Å²	32.8	42%	0.423	15%	0.148	S	C	.	.	H	α-helix	trans	-67.1	-36.5	-179.7	76.4	-173.7	173.5	103.5	-1.1	112.4	L203 P204 L205 A209 K210 L252 V254	L203-R207 WeakPolarHBondContact O-CB 3.38Å; L203-R207 VanDerWaalsContact O-CG 3.27Å; L203-R207 WeakPolarHBondContact O-CG 3.5Å; L203-R207 PolarHBondContact O-N 3.37Å; P204-R207 WeakPolarHBondContact O-CG 3.46Å; L205-R207 PolarHBondContact O-N 3.17Å; R207-A209 VanDerWaalsContact C-N 3.32Å; R207-K210 PolarHBondContact O-N 2.8Å; R207-L252 HydrophobicContact CB-CD1 4.49Å; R207-V254 HydrophobicContact CB-CG2 3.95Å
208	R	95.8	Very high	97.6	Very high	99 Å²	99	30.9 Å²	30.9	37%	0.374	14%	0.142	S	C	.	.	H	α-helix	trans	-66.2	-37.7	174.4	-72.6	-171.7	-69.4	-101	3.3	111.4	E158 P204 L205 K210	E158-R208 HydrophobicContact CB-CB 4.05Å; E158-R208 CarbonylContact O-C 3.57Å; E158-R208 WeakPolarHBondContact OE1-CD 3.37Å; E158-R208 IonicContact OE1-CZ 3.2Å; E158-R208 IonicContact OE1-NE 3.42Å; E158-R208 PolarHBondContact OE1-NE 2.91Å; E158-R208 VanDerWaalsContact OE1-NE 3.15Å; P204-R208 WeakPolarHBondContact O-CG 3.46Å; P204-R208 VanDerWaalsContact O-CZ 3.26Å; P204-R208 PolarHBondContact O-N 3.36Å; P204-R208 PolarHBondContact O-NE 3.46Å; L205-R208 PolarHBondContact O-N 3.34Å; R208-K210 PolarHBondContact O-N 3.25Å
209	A	94.3	Very high	97.4	Very high	15 Å²	15	31 Å²	31	12%	0.124	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.4	177.1	0	0	0	0	0	113.8	E158 M161 L205 I206 R207 G211	E158-A209 WeakPolarHBondContact O-CA 3.32Å; E158-A209 WeakPolarHBondContact O-CB 3.24Å; E158-A209 PolarHBondContact O-N 2.67Å; M161-A209 VanDerWaalsContact O-CB 3.24Å; M161-A209 WeakPolarHBondContact O-CB 3.29Å; L205-A209 PolarHBondContact O-N 3.05Å; L205-A209 VanDerWaalsContact O-N 3.12Å; I206-A209 CarbonylContact O-C 3.58Å; I206-A209 PolarHBondContact O-N 2.84Å; R207-A209 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 3.03Å
210	K	95.6	Very high	97.2	Very high	136 Å²	136	31.1 Å²	31.1	59%	0.591	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	41.9	-169.3	-56.3	-179.2	-179.1	177.9	0	111.5	I206 R207 R208 R212	I206-K210 PolarHBondContact O-N 2.91Å; I206-K210 VanDerWaalsContact O-N 3.07Å; R207-K210 PolarHBondContact O-N 2.8Å; R208-K210 PolarHBondContact O-N 3.25Å; K210-R212 PolarHBondContact O-NH1 3.49Å
211	G	96.3	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.			trans	-79.8	-146.5	-167.4	0	0	0	0	0	114.7	W162 I206 A209 K255	W162-G211 CarbonylContact O-C 3.55Å; W162-G211 WeakPolarHBondContact O-CA 3.41Å; I206-G211 PolarHBondContact O-N 3.34Å; A209-G211 PolarHBondContact O-N 3.03Å; G211-K255 PolarHBondContact O-N 3.09Å; G211-K255 VanDerWaalsContact O-N 3.09Å
212	R	98	Very high	96.9	Very high	14 Å²	14	26.5 Å²	26.5	5%	0.053	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.3	-170.7	-56.9	-64.5	-177.9	-102.2	4.7	110.6	W162 G163 L164 K210 K255 L329 A331	W162-R212 HydrophobicContact CD2-CG 4.42Å; W162-R212 HydrophobicContact CH2-CG 4.49Å; W162-R212 VanDerWaalsContact CH2-CZ 3.48Å; W162-R212 HydrophobicContact CZ2-CG 3.8Å; W162-R212 PolarHBondContact O-N 3.22Å; G163-R212 CarbonylContact C-O 3.48Å; G163-R212 VanDerWaalsContact CA-O 3.31Å; G163-R212 WeakPolarHBondContact CA-O 3.47Å; L164-R212 PolarHBondContact N-O 3.16Å; K210-R212 PolarHBondContact O-NH1 3.49Å; R212-K255 CarbonylContact C-O 3.59Å; R212-K255 WeakPolarHBondContact CA-O 3.45Å; R212-L329 HydrophobicContact CB-CD2 3.84Å; R212-L329 HydrophobicContact CG-CD2 4.38Å; R212-A331 PolarHBondContact NH2-O 2.83Å
213	V	98.8	Very high	96.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.9	165.1	-178.8	0	0	0	0	107.6	L164 T199 I206 L245 V254 K255 V256 S257	L164-V213 CarbonylContact O-C 3.57Å; L164-V213 WeakPolarHBondContact O-CA 3.44Å; T199-V213 HydrophobicContact CG2-CG1 4.38Å; I206-V213 HydrophobicContact CD1-CG2 4.03Å; I206-V213 HydrophobicContact CG2-CG2 4.17Å; V213-L245 HydrophobicContact CB-CD2 4.35Å; V213-L245 HydrophobicContact CG1-CD2 4.04Å; V213-L245 HydrophobicContact CG2-CD2 4.41Å; V213-V254 HydrophobicContact CG2-CG1 4.26Å; V213-K255 PolarHBondContact N-O 3.2Å; V213-V256 HydrophobicContact CB-CG1 4.44Å; V213-V256 HydrophobicContact CB-CG2 4.33Å; V213-V256 CarbonylContact O-C 3.45Å; V213-V256 VanDerWaalsContact O-CA 3.31Å; V213-V256 WeakPolarHBondContact O-CA 3.19Å; V213-S257 PolarHBondContact O-N 2.98Å
214	V	98.9	Very high	96.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.8	177	-172.9	0	0	0	0	108.2	L164 V165 N166 I216 S257 V259 V325 A328 L329	L164-V214 PolarHBondContact O-N 2.85Å; V165-V214 CarbonylContact C-O 3.53Å; V165-V214 VanDerWaalsContact CA-O 3.31Å; V165-V214 WeakPolarHBondContact CA-O 3.37Å; V165-V214 HydrophobicContact CG1-CB 4.41Å; V165-V214 HydrophobicContact CG2-CB 4.28Å; N166-V214 PolarHBondContact N-O 3.4Å; V214-I216 HydrophobicContact CG1-CD1 4.47Å; V214-S257 WeakPolarHBondContact CA-O 3.47Å; V214-V259 HydrophobicContact CG1-CG2 3.73Å; V214-V325 HydrophobicContact CG1-CG1 4.2Å; V214-V325 HydrophobicContact CG1-CG2 4.25Å; V214-A328 HydrophobicContact CG1-CB 4.36Å; V214-A328 HydrophobicContact CG2-CB 3.77Å; V214-L329 HydrophobicContact CG2-CD2 3.99Å; V214-L329 HydrophobicContact CG2-CG 4.23Å
215	N	98.9	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.5	179.1	-66.7	-20.2	0	0	0	109.6	N166 S217 V238 S242 S257 V258 V259	N166-N215 WeakPolarHBondContact CB-OD1 3.3Å; N166-N215 PolarHBondContact ND2-OD1 2.86Å; N215-S217 PolarHBondContact O-N 3.39Å; N215-V238 HydrophobicContact CB-CG1 3.98Å; N215-S242 PolarHBondContact ND2-OG 2.61Å; N215-S257 PolarHBondContact N-O 3.14Å; N215-V258 WeakPolarHBondContact O-CA 3.4Å; N215-V259 PolarHBondContact O-N 3.44Å
216	I	98.6	Very high	95.6	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.062	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	102.8	174.2	-52.2	-54.5	0	0	0	108.7	V165 N166 N167 V214 K235 V259 P261 V325	V165-I216 HydrophobicContact CG1-CD1 4.38Å; V165-I216 HydrophobicContact CG1-CG1 4.36Å; N166-I216 PolarHBondContact O-N 3.03Å; N167-I216 HydrophobicContact CB-CG1 3.79Å; V214-I216 HydrophobicContact CG1-CD1 4.47Å; I216-K235 PolarHBondContact O-NZ 3.39Å; I216-V259 HydrophobicContact CD1-CB 3.84Å; I216-V259 HydrophobicContact CD1-CG1 4.38Å; I216-V259 HydrophobicContact CD1-CG2 4.15Å; I216-P261 HydrophobicContact CG2-CG 4.21Å; I216-V325 HydrophobicContact CD1-CG2 3.67Å
217	S	97.6	Very high	95.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.176	C	C	.	.			trans	-90.5	-134.2	173.3	-173.7	0	0	0	0	109.7	N215 E239 V258 V259	N215-S217 PolarHBondContact O-N 3.39Å; S217-E239 WeakPolarHBondContact CB-OE1 3.38Å; S217-E239 PolarHBondContact OG-OE1 3.49Å; S217-V258 VanDerWaalsContact CB-CG1 3.47Å; S217-V259 WeakPolarHBondContact CA-O 3.37Å; S217-V259 PolarHBondContact N-O 3.15Å
218	S	96.6	Very high	95.2	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.063	16%	0.16	C	C	.	.			trans	-167.8	162.7	173.9	177.5	0	0	0	0	108.1	L220 G221	S218-L220 PolarHBondContact O-N 3.32Å; S218-L220 VanDerWaalsContact O-N 3.11Å; S218-L220 PolarHBondContact OG-N 3.23Å; S218-G221 PolarHBondContact O-N 2.56Å
219	M	95.1	Very high	95.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-50.5	-30.7	159.5	65.9	178.1	179.2	0	0	111.8	G221 R222 M223 P261 M341 W345	M219-G221 PolarHBondContact O-N 3.34Å; M219-R222 PolarHBondContact O-N 2.9Å; M219-M223 HydrophobicContact CE-CE 4.23Å; M219-M223 HydrophobicContact CG-CE 4.21Å; M219-M223 WeakPolarHBondContact O-CG 3.29Å; M219-M223 PolarHBondContact O-N 2.69Å; M219-M223 HydrophobicContact SD-CE 3.83Å; M219-P261 PolarHBondContact N-O 3.27Å; M219-M341 HydrophobicContact CB-CE 3.84Å; M219-W345 HydrophobicContact CE-CD2 3.79Å; M219-W345 HydrophobicContact CE-CE3 3.52Å; M219-W345 HydrophobicContact CE-CG 4.43Å; M219-W345 HydrophobicContact CE-CH2 4.19Å; M219-W345 HydrophobicContact CE-CZ2 4.44Å; M219-W345 HydrophobicContact CE-CZ3 3.73Å; M219-W345 HydrophobicContact SD-CB 3.91Å; M219-W345 HydrophobicContact SD-CD2 3.7Å; M219-W345 HydrophobicContact SD-CE3 3.45Å; M219-W345 HydrophobicContact SD-CG 3.89Å; M219-W345 HydrophobicContact SD-CZ3 4.21Å
220	L	95.4	Very high	95.4	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.026	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-73.6	0.6	175.9	-61.8	-176.1	0	0	0	114.6	S218 R222 M223 N225 R228 Y231 F236	S218-L220 PolarHBondContact O-N 3.32Å; S218-L220 VanDerWaalsContact O-N 3.11Å; S218-L220 PolarHBondContact OG-N 3.23Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-M223 CarbonylContact C-O 3.59Å; L220-M223 WeakPolarHBondContact CA-O 3.01Å; L220-M223 HydrophobicContact CD2-CE 4.03Å; L220-M223 HydrophobicContact CD2-CG 4.34Å; L220-N225 HydrophobicContact CD2-CB 4.04Å; L220-R228 HydrophobicContact CD1-CB 4.37Å; L220-R228 HydrophobicContact CD1-CG 4.38Å; L220-Y231 HydrophobicContact CB-CD1 4.24Å; L220-Y231 HydrophobicContact CB-CE1 4.17Å; L220-Y231 HydrophobicContact CD1-CD1 3.88Å; L220-Y231 HydrophobicContact CD1-CE1 4.05Å; L220-F236 VanDerWaalsContact O-CD2 3.26Å; L220-F236 WeakPolarHBondContact O-CD2 3.21Å; L220-F236 VanDerWaalsContact O-CE2 3.24Å; L220-F236 WeakPolarHBondContact O-CE2 3.27Å
221	G	95.9	Very high	95.5	Very high	2 Å²	2	20 Å²	20	2%	0.021	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-84.8	-9.1	164.9	0	0	0	0	0	113.2	S218 M219 F236 E239	S218-G221 PolarHBondContact O-N 2.56Å; M219-G221 PolarHBondContact O-N 3.34Å; G221-F236 WeakPolarHBondContact O-CD1 3.31Å; G221-F236 WeakPolarHBondContact O-CD2 3.44Å; G221-F236 VanDerWaalsContact O-CG 3.26Å; G221-F236 WeakPolarHBondContact O-CG 3.49Å; G221-E239 WeakPolarHBondContact O-CG 3.14Å
222	R	94.4	Very high	95.5	Very high	66 Å²	66	20.3 Å²	20.3	25%	0.249	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-30.1	-179.3	-65.5	-169.4	63.1	-171	-2.5	113.8	M219 L220 F236 E260 H339 M349 T353	M219-R222 PolarHBondContact O-N 2.9Å; L220-R222 VanDerWaalsContact C-N 3.33Å; R222-F236 WeakPolarHBondContact O-CZ 3.39Å; R222-E260 VanDerWaalsContact CD-CD 3.46Å; R222-E260 WeakPolarHBondContact CD-OE1 3.39Å; R222-E260 WeakPolarHBondContact CD-OE2 3.24Å; R222-E260 IonicContact NH1-OE2 2.81Å; R222-H339 PolarHBondContact NH1-NE2 3.49Å; R222-M349 HydrophobicContact CB-CG 4.35Å; R222-M349 HydrophobicContact CB-SD 4.23Å; R222-T353 HydrophobicContact CB-CG2 4.22Å; R222-T353 WeakPolarHBondContact O-CG2 3.2Å
223	M	92.6	Very high	95.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	15%	0.145	C	C	.	.	S	Bend	trans	-122.2	152.2	171.9	66.4	177.2	-146.5	0	0	110.1	M219 L220 W345 R348 M349 I352 T353	M219-M223 HydrophobicContact CE-CE 4.23Å; M219-M223 HydrophobicContact CG-CE 4.21Å; M219-M223 WeakPolarHBondContact O-CG 3.29Å; M219-M223 PolarHBondContact O-N 2.69Å; M219-M223 HydrophobicContact SD-CE 3.83Å; L220-M223 CarbonylContact C-O 3.59Å; L220-M223 WeakPolarHBondContact CA-O 3.01Å; L220-M223 HydrophobicContact CD2-CE 4.03Å; L220-M223 HydrophobicContact CD2-CG 4.34Å; M223-W345 HydrophobicContact CE-CE3 4.15Å; M223-W345 HydrophobicContact CE-CZ3 4.16Å; M223-R348 HydrophobicContact CE-CG 4.45Å; M223-R348 HydrophobicContact SD-CG 4.17Å; M223-M349 HydrophobicContact SD-CB 3.87Å; M223-I352 HydrophobicContact CB-CB 4.2Å; M223-I352 HydrophobicContact CB-CD1 4.38Å; M223-I352 HydrophobicContact CB-CG2 3.8Å; M223-I352 HydrophobicContact SD-CD1 3.87Å; M223-T353 HydrophobicContact CB-CG2 4.49Å
224	A	91.4	Very high	95.5	Very high	65 Å²	65	24.5 Å²	24.5	54%	0.537	15%	0.145	S	C	.	.			trans	-103.4	149.3	174.5	0	0	0	0	0	110.6
225	N	89.3	Confident	95.4	Very high	28 Å²	28	24.8 Å²	24.8	15%	0.15	15%	0.146	C	C	.	.			trans	-124.9	146.9	173.2	-83.9	-11.4	0	0	0	110.2	L220 R228 R348	L220-N225 HydrophobicContact CD2-CB 4.04Å; N225-R228 HydrophobicContact CB-CB 4.38Å; N225-R228 HydrophobicContact CB-CG 3.98Å; N225-R228 WeakPolarHBondContact O-CB 3.48Å; N225-R228 PolarHBondContact O-N 3.02Å; N225-R348 PolarHBondContact OD1-NH2 2.61Å; N225-R348 VanDerWaalsContact OD1-NH2 3.1Å
226	P	90.3	Very high	95.4	Very high	108 Å²	108	29 Å²	29	70%	0.701	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	147.9	171.2	-25	34.2	0	0	0	111.8	R228	P226-R228 WeakPolarHBondContact O-CG 3.26Å; P226-R228 PolarHBondContact O-N 3.11Å
227	A	92.1	Very high	95.4	Very high	32 Å²	32	29.4 Å²	29.4	26%	0.264	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	19.4	-178.6	0	0	0	0	0	115.8	F173 G174 E175	F173-A227 CarbonylContact C-O 3.57Å; F173-A227 VanDerWaalsContact CA-O 3.27Å; F173-A227 WeakPolarHBondContact CA-O 3.45Å; G174-A227 PolarHBondContact N-O 3.21Å; G174-A227 CarbonylContact O-C 3.25Å; G174-A227 VanDerWaalsContact O-C 3.25Å; G174-A227 WeakPolarHBondContact O-CA 3.35Å; E175-A227 HydrophobicContact CG-CB 4.19Å
228	R	94.3	Very high	95.5	Very high	23 Å²	23	29.3 Å²	29.3	9%	0.087	17%	0.171	C	C	.	.			trans	-127	11.8	-179.6	-54.8	-63.4	-70.5	174.7	5.1	113.3	S171 T172 L220 N225 P226 Y231 C232 Y271	S171-R228 PolarHBondContact OG-NH2 3.16Å; T172-R228 PolarHBondContact O-NH1 2.89Å; L220-R228 HydrophobicContact CD1-CB 4.37Å; L220-R228 HydrophobicContact CD1-CG 4.38Å; N225-R228 HydrophobicContact CB-CB 4.38Å; N225-R228 HydrophobicContact CB-CG 3.98Å; N225-R228 WeakPolarHBondContact O-CB 3.48Å; N225-R228 PolarHBondContact O-N 3.02Å; P226-R228 WeakPolarHBondContact O-CG 3.26Å; P226-R228 PolarHBondContact O-N 3.11Å; R228-Y231 PolarHBondContact O-N 3.08Å; R228-Y231 VanDerWaalsContact O-N 3.09Å; R228-C232 PolarHBondContact O-N 3.43Å; R228-C232 PolarHBondContact O-SG 2.97Å; R228-Y271 PolarHBondContact NH1-OH 2.69Å; R228-Y271 PolarHBondContact NH2-OH 3.02Å
229	S	96.3	Very high	95.6	Very high	28 Å²	28	29.4 Å²	29.4	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-41	-170.8	47.8	0	0	0	0	114.6	Y184 Y231 C232 I233	Y184-S229 VanDerWaalsContact OH-CB 3.27Å; Y184-S229 WeakPolarHBondContact OH-CB 3.26Å; Y184-S229 PolarHBondContact OH-OG 3.16Å; S229-Y231 PolarHBondContact O-N 3.21Å; S229-C232 PolarHBondContact O-N 3.24Å; S229-I233 WeakPolarHBondContact O-CG2 3.38Å; S229-I233 PolarHBondContact O-N 3.43Å; S229-I233 VanDerWaalsContact O-N 3.15Å
230	P	96.9	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-28.6	178.2	-16	30.2	0	0	0	112.4	T172 T179 Y184 I233 T234	T172-P230 HydrophobicContact CG2-CB 3.6Å; T172-P230 HydrophobicContact CG2-CG 3.77Å; T179-P230 HydrophobicContact CG2-CG 3.9Å; Y184-P230 HydrophobicContact CD1-CB 3.98Å; Y184-P230 HydrophobicContact CD1-CG 4.37Å; Y184-P230 HydrophobicContact CD2-CB 4.25Å; Y184-P230 HydrophobicContact CD2-CG 4.09Å; Y184-P230 HydrophobicContact CE1-CB 4.1Å; Y184-P230 HydrophobicContact CE1-CG 4.09Å; Y184-P230 HydrophobicContact CE2-CB 4.39Å; Y184-P230 HydrophobicContact CE2-CG 3.81Å; Y184-P230 HydrophobicContact CG-CB 4.06Å; Y184-P230 HydrophobicContact CG-CG 4.36Å; P230-I233 WeakPolarHBondContact O-CG2 3.45Å; P230-T234 WeakPolarHBondContact O-CG2 3.14Å
231	Y	97.1	Very high	95.9	Very high	20 Å²	20	33.8 Å²	33.8	8%	0.078	20%	0.2	C	C	.	.	H	α-helix	trans	-79.8	-48	175.4	-176.5	-99.7	0	0	0	111.8	I170 S171 L220 R228 S229 I233 T234 K235	I170-Y231 WeakPolarHBondContact O-CD2 3.34Å; I170-Y231 WeakPolarHBondContact O-CE2 3.26Å; S171-Y231 VanDerWaalsContact OG-CD2 3.24Å; S171-Y231 WeakPolarHBondContact OG-CD2 3.32Å; L220-Y231 HydrophobicContact CB-CD1 4.24Å; L220-Y231 HydrophobicContact CB-CE1 4.17Å; L220-Y231 HydrophobicContact CD1-CD1 3.88Å; L220-Y231 HydrophobicContact CD1-CE1 4.05Å; R228-Y231 PolarHBondContact O-N 3.08Å; R228-Y231 VanDerWaalsContact O-N 3.09Å; S229-Y231 PolarHBondContact O-N 3.21Å; Y231-I233 PolarHBondContact O-N 3.14Å; Y231-T234 PolarHBondContact O-N 3.16Å; Y231-T234 VanDerWaalsContact O-N 3.15Å; Y231-T234 PolarHBondContact O-OG1 3.43Å; Y231-K235 HydrophobicContact CD1-CG 4.16Å; Y231-K235 HydrophobicContact CE1-CG 3.66Å; Y231-K235 HydrophobicContact CE2-CG 4.33Å; Y231-K235 VanDerWaalsContact CZ-CE 3.46Å; Y231-K235 PolarHBondContact O-N 3.21Å; Y231-K235 WeakPolarHBondContact OH-CE 3.39Å
232	C	97.4	Very high	96.1	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-47.9	-176.1	-64.5	0	0	0	0	111.2	R228 S229 T234 K235 F236	R228-C232 PolarHBondContact O-N 3.43Å; R228-C232 PolarHBondContact O-SG 2.97Å; S229-C232 PolarHBondContact O-N 3.24Å; C232-T234 PolarHBondContact O-N 3.03Å; C232-T234 VanDerWaalsContact O-N 3.13Å; C232-K235 PolarHBondContact O-N 3.37Å; C232-F236 HydrophobicContact CB-CD2 4.48Å; C232-F236 WeakPolarHBondContact O-CD2 3Å; C232-F236 PolarHBondContact O-N 3.09Å
233	I	97.8	Very high	96.3	Very high	102 Å²	102	32.2 Å²	32.2	52%	0.523	20%	0.196	S	C	.	.	H	α-helix	trans	-55.2	-37.8	-179.4	-166.2	172.6	0	0	0	112.2	Y184 S229 P230 Y231 G237	Y184-I233 HydrophobicContact CD1-CG2 4.1Å; Y184-I233 HydrophobicContact CE1-CG2 4.38Å; S229-I233 WeakPolarHBondContact O-CG2 3.38Å; S229-I233 PolarHBondContact O-N 3.43Å; S229-I233 VanDerWaalsContact O-N 3.15Å; P230-I233 WeakPolarHBondContact O-CG2 3.45Å; Y231-I233 PolarHBondContact O-N 3.14Å; I233-G237 PolarHBondContact O-N 3.02Å
234	T	98.4	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-39.7	178.8	70.3	0	0	0	0	112.4	V187 A188 N191 P230 Y231 C232 G237 V238	V187-T234 HydrophobicContact CG1-CG2 4.06Å; A188-T234 VanDerWaalsContact CA-CG2 3.45Å; A188-T234 HydrophobicContact CB-CG2 3.91Å; N191-T234 HydrophobicContact CB-CG2 4.22Å; N191-T234 WeakPolarHBondContact CB-OG1 3.42Å; N191-T234 PolarHBondContact ND2-OG1 3.01Å; P230-T234 WeakPolarHBondContact O-CG2 3.14Å; Y231-T234 PolarHBondContact O-N 3.16Å; Y231-T234 VanDerWaalsContact O-N 3.15Å; Y231-T234 PolarHBondContact O-OG1 3.43Å; C232-T234 PolarHBondContact O-N 3.03Å; C232-T234 VanDerWaalsContact O-N 3.13Å; T234-G237 PolarHBondContact O-N 3.37Å; T234-V238 WeakPolarHBondContact O-CG2 3.35Å; T234-V238 PolarHBondContact O-N 3.22Å
235	K	98	Very high	96.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-72.7	-37.7	179.2	-64.8	-51.7	-165.3	177.8	0	112	I216 Y231 C232 G237 V238 E239	I216-K235 PolarHBondContact O-NZ 3.39Å; Y231-K235 HydrophobicContact CD1-CG 4.16Å; Y231-K235 HydrophobicContact CE1-CG 3.66Å; Y231-K235 HydrophobicContact CE2-CG 4.33Å; Y231-K235 VanDerWaalsContact CZ-CE 3.46Å; Y231-K235 PolarHBondContact O-N 3.21Å; Y231-K235 WeakPolarHBondContact OH-CE 3.39Å; C232-K235 PolarHBondContact O-N 3.37Å; K235-G237 VanDerWaalsContact C-N 3.3Å; K235-G237 PolarHBondContact O-N 3.05Å; K235-V238 PolarHBondContact O-N 3.07Å; K235-E239 PolarHBondContact O-N 2.92Å
236	F	98.6	Very high	97.3	Very high	88 Å²	88	33.6 Å²	33.6	39%	0.386	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-40.7	168.4	-87.1	-101.1	0	0	0	111.5	L220 G221 R222 C232 V238 E239 A240	L220-F236 VanDerWaalsContact O-CD2 3.26Å; L220-F236 WeakPolarHBondContact O-CD2 3.21Å; L220-F236 VanDerWaalsContact O-CE2 3.24Å; L220-F236 WeakPolarHBondContact O-CE2 3.27Å; G221-F236 WeakPolarHBondContact O-CD1 3.31Å; G221-F236 WeakPolarHBondContact O-CD2 3.44Å; G221-F236 VanDerWaalsContact O-CG 3.26Å; G221-F236 WeakPolarHBondContact O-CG 3.49Å; R222-F236 WeakPolarHBondContact O-CZ 3.39Å; C232-F236 HydrophobicContact CB-CD2 4.48Å; C232-F236 WeakPolarHBondContact O-CD2 3Å; C232-F236 PolarHBondContact O-N 3.09Å; F236-V238 VanDerWaalsContact C-N 3.35Å; F236-V238 PolarHBondContact O-N 3.4Å; F236-E239 WeakPolarHBondContact O-CB 3.12Å; F236-E239 PolarHBondContact O-N 3.3Å; F236-A240 PolarHBondContact O-N 2.9Å
237	G	98.7	Very high	97.7	Very high	20 Å²	20	35.5 Å²	35.5	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-42	173.6	0	0	0	0	0	112.9	I233 T234 K235 A240 F241	I233-G237 PolarHBondContact O-N 3.02Å; T234-G237 PolarHBondContact O-N 3.37Å; K235-G237 VanDerWaalsContact C-N 3.3Å; K235-G237 PolarHBondContact O-N 3.05Å; G237-A240 PolarHBondContact O-N 2.92Å; G237-F241 VanDerWaalsContact O-CB 3.32Å; G237-F241 WeakPolarHBondContact O-CB 3.46Å; G237-F241 PolarHBondContact O-N 3.1Å
238	V	98.8	Very high	98	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-39.4	175.7	170.1	0	0	0	0	111.6	N191 L192 T195 N215 T234 K235 F236 S242	N191-V238 WeakPolarHBondContact O-CG2 3.26Å; L192-V238 HydrophobicContact CD1-CG2 4.19Å; T195-V238 HydrophobicContact CG2-CG2 4.38Å; N215-V238 HydrophobicContact CB-CG1 3.98Å; T234-V238 WeakPolarHBondContact O-CG2 3.35Å; T234-V238 PolarHBondContact O-N 3.22Å; K235-V238 PolarHBondContact O-N 3.07Å; F236-V238 VanDerWaalsContact C-N 3.35Å; F236-V238 PolarHBondContact O-N 3.4Å; V238-S242 VanDerWaalsContact O-CB 3.27Å; V238-S242 WeakPolarHBondContact O-CB 3.47Å; V238-S242 PolarHBondContact O-N 3.11Å; V238-S242 PolarHBondContact O-OG 2.97Å
239	E	98.6	Very high	98.2	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-52.4	173.1	-71.5	-59.1	143.4	0	0	111.5	S217 G221 K235 F236 F241 S242 D243 V258 R337	S217-E239 WeakPolarHBondContact CB-OE1 3.38Å; S217-E239 PolarHBondContact OG-OE1 3.49Å; G221-E239 WeakPolarHBondContact O-CG 3.14Å; K235-E239 PolarHBondContact O-N 2.92Å; F236-E239 WeakPolarHBondContact O-CB 3.12Å; F236-E239 PolarHBondContact O-N 3.3Å; E239-F241 PolarHBondContact O-N 3.06Å; E239-S242 PolarHBondContact O-N 3.02Å; E239-D243 PolarHBondContact O-N 3.21Å; E239-V258 VanDerWaalsContact OE1-CG1 3.22Å; E239-V258 WeakPolarHBondContact OE1-CG1 3.21Å; E239-R337 IonicContact OE2-CZ 3.77Å; E239-R337 IonicContact OE2-NE 3.29Å; E239-R337 PolarHBondContact OE2-NE 3.48Å; E239-R337 IonicContact OE2-NH2 3.82Å; E239-R337 PolarHBondContact OE2-NH2 3.27Å
240	A	98.8	Very high	98.3	Very high	57 Å²	57	44.5 Å²	44.5	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-47.2	-178.9	0	0	0	0	0	111.5	F236 G237 S242 D243 C244	F236-A240 PolarHBondContact O-N 2.9Å; G237-A240 PolarHBondContact O-N 2.92Å; A240-S242 VanDerWaalsContact C-N 3.3Å; A240-S242 PolarHBondContact O-N 3.22Å; A240-D243 PolarHBondContact O-N 3.46Å; A240-C244 PolarHBondContact O-N 2.83Å; A240-C244 VanDerWaalsContact O-N 3.09Å; A240-C244 PolarHBondContact O-SG 2.78Å
241	F	98.8	Very high	98.3	Very high	42 Å²	42	49.5 Å²	49.5	18%	0.184	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-43.6	175.7	171.8	-113.6	0	0	0	112	T195 V196 T199 G237 E239 C244 L245	T195-F241 HydrophobicContact CG2-CD1 4.27Å; T195-F241 HydrophobicContact CG2-CE1 4.23Å; V196-F241 HydrophobicContact CB-CZ 4.45Å; V196-F241 HydrophobicContact CG1-CE2 4.24Å; V196-F241 HydrophobicContact CG1-CZ 4.49Å; V196-F241 HydrophobicContact CG2-CD1 4.06Å; V196-F241 HydrophobicContact CG2-CD2 3.87Å; V196-F241 HydrophobicContact CG2-CE1 4.19Å; V196-F241 HydrophobicContact CG2-CE2 4.02Å; V196-F241 HydrophobicContact CG2-CG 3.9Å; V196-F241 HydrophobicContact CG2-CZ 4.17Å; T199-F241 HydrophobicContact CG2-CE1 4.09Å; T199-F241 HydrophobicContact CG2-CZ 3.83Å; G237-F241 VanDerWaalsContact O-CB 3.32Å; G237-F241 WeakPolarHBondContact O-CB 3.46Å; G237-F241 PolarHBondContact O-N 3.1Å; E239-F241 PolarHBondContact O-N 3.06Å; F241-C244 PolarHBondContact O-N 2.84Å; F241-L245 HydrophobicContact CE1-CD2 4.41Å; F241-L245 HydrophobicContact CZ-CD2 4.38Å; F241-L245 WeakPolarHBondContact O-CB 3.46Å; F241-L245 PolarHBondContact O-N 2.68Å
242	S	98.8	Very high	98.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-38.1	-178.6	-58	0	0	0	0	112.5	N215 V238 E239 A240 R246	N215-S242 PolarHBondContact ND2-OG 2.61Å; V238-S242 VanDerWaalsContact O-CB 3.27Å; V238-S242 WeakPolarHBondContact O-CB 3.47Å; V238-S242 PolarHBondContact O-N 3.11Å; V238-S242 PolarHBondContact O-OG 2.97Å; E239-S242 PolarHBondContact O-N 3.02Å; A240-S242 VanDerWaalsContact C-N 3.3Å; A240-S242 PolarHBondContact O-N 3.22Å; S242-R246 VanDerWaalsContact O-CB 3.26Å; S242-R246 WeakPolarHBondContact O-CB 3.21Å; S242-R246 PolarHBondContact O-N 2.86Å
243	D	98.6	Very high	98.2	Very high	33 Å²	33	52.8 Å²	52.8	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-43.9	175.7	-87.1	-32.8	0	0	0	111.8	E239 A240 R246 Y247 R337	E239-D243 PolarHBondContact O-N 3.21Å; A240-D243 PolarHBondContact O-N 3.46Å; D243-R246 PolarHBondContact O-N 2.64Å; D243-R246 IonicContact OD1-CZ 2.95Å; D243-R246 IonicContact OD1-NE 3.17Å; D243-R246 PolarHBondContact OD1-NE 3.37Å; D243-R246 IonicContact OD1-NH2 3.56Å; D243-R246 PolarHBondContact OD1-NH2 2.84Å; D243-Y247 HydrophobicContact CB-CE2 4.21Å; D243-Y247 WeakPolarHBondContact O-CD2 3.46Å; D243-Y247 VanDerWaalsContact O-CG 3.3Å; D243-Y247 PolarHBondContact O-N 3.47Å; D243-Y247 VanDerWaalsContact O-N 3.08Å; D243-R337 IonicContact OD1-CZ 3.48Å; D243-R337 IonicContact OD1-NH1 3.61Å; D243-R337 PolarHBondContact OD1-NH1 3.38Å; D243-R337 IonicContact OD1-NH2 2.75Å; D243-R337 IonicContact OD2-CZ 3.19Å; D243-R337 IonicContact OD2-NH1 2.87Å; D243-R337 PolarHBondContact OD2-NH1 2.94Å; D243-R337 IonicContact OD2-NH2 3.46Å; D243-R337 PolarHBondContact OD2-NH2 3.38Å
244	C	98.8	Very high	98.2	Very high	65 Å²	65	48.1 Å²	48.1	44%	0.439	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-52.1	173.3	-67.2	0	0	0	0	111.3	A240 F241 R246 Y247 E248	A240-C244 PolarHBondContact O-N 2.83Å; A240-C244 VanDerWaalsContact O-N 3.09Å; A240-C244 PolarHBondContact O-SG 2.78Å; F241-C244 PolarHBondContact O-N 2.84Å; C244-R246 VanDerWaalsContact C-N 3.26Å; C244-R246 PolarHBondContact O-N 3.01Å; C244-Y247 PolarHBondContact O-N 3.31Å; C244-Y247 VanDerWaalsContact O-N 3.1Å; C244-E248 WeakPolarHBondContact O-CG 3.46Å; C244-E248 PolarHBondContact O-N 3.46Å
245	L	98.8	Very high	98.2	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-41.2	179.1	-175.8	69.7	0	0	0	111.8	T199 L203 V213 F241 Y247 E248 M249 V256	T199-L245 HydrophobicContact CG2-CD1 4.36Å; T199-L245 HydrophobicContact CG2-CD2 3.64Å; L203-L245 HydrophobicContact CD1-CD1 4.09Å; L203-L245 HydrophobicContact CD2-CD1 3.84Å; V213-L245 HydrophobicContact CB-CD2 4.35Å; V213-L245 HydrophobicContact CG1-CD2 4.04Å; V213-L245 HydrophobicContact CG2-CD2 4.41Å; F241-L245 HydrophobicContact CE1-CD2 4.41Å; F241-L245 HydrophobicContact CZ-CD2 4.38Å; F241-L245 WeakPolarHBondContact O-CB 3.46Å; F241-L245 PolarHBondContact O-N 2.68Å; L245-Y247 PolarHBondContact O-N 3.11Å; L245-E248 PolarHBondContact O-N 3.05Å; L245-M249 HydrophobicContact CD1-CG 3.67Å; L245-M249 HydrophobicContact CG-CG 4.06Å; L245-M249 VanDerWaalsContact O-CB 3.24Å; L245-M249 WeakPolarHBondContact O-CB 3.39Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 2.85Å; L245-V256 HydrophobicContact CD2-CG1 4.1Å; L245-V256 HydrophobicContact CD2-CG2 3.98Å; L245-V256 HydrophobicContact CG-CG2 3.94Å
246	R	98.6	Very high	98.3	Very high	54 Å²	54	51.5 Å²	51.5	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-42.1	178.2	-174.8	177.4	52.8	66.7	3.6	112	S242 D243 C244 H250 V256	S242-R246 VanDerWaalsContact O-CB 3.26Å; S242-R246 WeakPolarHBondContact O-CB 3.21Å; S242-R246 PolarHBondContact O-N 2.86Å; D243-R246 PolarHBondContact O-N 2.64Å; D243-R246 IonicContact OD1-CZ 2.95Å; D243-R246 IonicContact OD1-NE 3.17Å; D243-R246 PolarHBondContact OD1-NE 3.37Å; D243-R246 IonicContact OD1-NH2 3.56Å; D243-R246 PolarHBondContact OD1-NH2 2.84Å; C244-R246 VanDerWaalsContact C-N 3.26Å; C244-R246 PolarHBondContact O-N 3.01Å; R246-H250 WeakPolarHBondContact O-CB 3.44Å; R246-H250 PolarHBondContact O-N 3.42Å; R246-V256 HydrophobicContact CB-CB 3.87Å; R246-V256 HydrophobicContact CB-CG1 4.37Å; R246-V256 HydrophobicContact CB-CG2 4.3Å; R246-V256 HydrophobicContact CG-CB 4.22Å
247	Y	98.4	Very high	98.3	Very high	147 Å²	147	47.3 Å²	47.3	58%	0.576	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-47.9	178.1	-62.1	-44	0	0	0	111.2	D243 C244 L245 M249	D243-Y247 HydrophobicContact CB-CE2 4.21Å; D243-Y247 WeakPolarHBondContact O-CD2 3.46Å; D243-Y247 VanDerWaalsContact O-CG 3.3Å; D243-Y247 PolarHBondContact O-N 3.47Å; D243-Y247 VanDerWaalsContact O-N 3.08Å; C244-Y247 PolarHBondContact O-N 3.31Å; C244-Y247 VanDerWaalsContact O-N 3.1Å; L245-Y247 PolarHBondContact O-N 3.11Å; Y247-M249 PolarHBondContact O-N 3.42Å
248	E	98.4	Very high	98.3	Very high	125 Å²	125	46.6 Å²	46.6	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-65	-40.8	-178.3	-68.4	173	-153.7	0	0	112.3	C244 L245	C244-E248 WeakPolarHBondContact O-CG 3.46Å; C244-E248 PolarHBondContact O-N 3.46Å; L245-E248 PolarHBondContact O-N 3.05Å
249	M	98.3	Very high	98.3	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-87.7	-6	-173.8	-59.6	-65.8	102.5	0	0	114.2	L203 L245 Y247 S251 L252 G253 V254	L203-M249 HydrophobicContact CD1-CG 4.16Å; L203-M249 HydrophobicContact CD1-SD 3.77Å; L203-M249 HydrophobicContact CD2-CE 4.23Å; L203-M249 HydrophobicContact CD2-SD 3.79Å; L203-M249 HydrophobicContact CG-SD 3.92Å; L245-M249 HydrophobicContact CD1-CG 3.67Å; L245-M249 HydrophobicContact CG-CG 4.06Å; L245-M249 VanDerWaalsContact O-CB 3.24Å; L245-M249 WeakPolarHBondContact O-CB 3.39Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 2.85Å; Y247-M249 PolarHBondContact O-N 3.42Å; M249-S251 PolarHBondContact O-N 2.63Å; M249-L252 HydrophobicContact CE-CD1 3.9Å; M249-L252 PolarHBondContact O-N 3.5Å; M249-L252 VanDerWaalsContact O-N 3.1Å; M249-L252 HydrophobicContact SD-CD1 3.92Å; M249-G253 PolarHBondContact O-N 3.3Å; M249-V254 HydrophobicContact CB-CB 3.87Å; M249-V254 HydrophobicContact CB-CG1 4.47Å; M249-V254 HydrophobicContact CB-CG2 4.35Å; M249-V254 PolarHBondContact O-N 2.9Å
250	H	97.2	Very high	98.2	Very high	129 Å²	129	46 Å²	46	60%	0.597	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-46.3	-177.6	-179.3	-91.9	0	0	0	112.5	R246 L252 G253	R246-H250 WeakPolarHBondContact O-CB 3.44Å; R246-H250 PolarHBondContact O-N 3.42Å; H250-L252 PolarHBondContact O-N 3.21Å; H250-G253 PolarHBondContact O-N 2.9Å; H250-G253 VanDerWaalsContact O-N 3.16Å
251	S	97.1	Very high	98.2	Very high	106 Å²	106	43.7 Å²	43.7	74%	0.741	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.9	179.2	57.7	0	0	0	0	112.9	M249 G253	M249-S251 PolarHBondContact O-N 2.63Å; S251-G253 VanDerWaalsContact C-N 3.32Å
252	L	97.2	Very high	97.9	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.366	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.5	177.7	-58.5	178.2	0	0	0	112.9	R207 M249 H250 V254	R207-L252 HydrophobicContact CB-CD1 4.49Å; M249-L252 HydrophobicContact CE-CD1 3.9Å; M249-L252 PolarHBondContact O-N 3.5Å; M249-L252 VanDerWaalsContact O-N 3.1Å; M249-L252 HydrophobicContact SD-CD1 3.92Å; H250-L252 PolarHBondContact O-N 3.21Å; L252-V254 VanDerWaalsContact C-N 3.31Å; L252-V254 PolarHBondContact O-N 3.28Å
253	G	96.3	Very high	97.6	Very high	24 Å²	24	42.7 Å²	42.7	25%	0.247	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	3.8	175.1	0	0	0	0	0	115.3	M249 H250 S251	M249-G253 PolarHBondContact O-N 3.3Å; H250-G253 PolarHBondContact O-N 2.9Å; H250-G253 VanDerWaalsContact O-N 3.16Å; S251-G253 VanDerWaalsContact C-N 3.32Å
254	V	98	Very high	97.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	22%	0.218	C	C	.	.			trans	-75.5	140.1	173.4	-177.1	0	0	0	0	109.4	I206 R207 V213 M249 L252 V256	I206-V254 HydrophobicContact CG2-CG1 3.85Å; I206-V254 HydrophobicContact CG2-CG2 4.33Å; R207-V254 HydrophobicContact CB-CG2 3.95Å; V213-V254 HydrophobicContact CG2-CG1 4.26Å; M249-V254 HydrophobicContact CB-CB 3.87Å; M249-V254 HydrophobicContact CB-CG1 4.47Å; M249-V254 HydrophobicContact CB-CG2 4.35Å; M249-V254 PolarHBondContact O-N 2.9Å; L252-V254 VanDerWaalsContact C-N 3.31Å; L252-V254 PolarHBondContact O-N 3.28Å; V254-V256 HydrophobicContact CG1-CG2 4.45Å
255	K	98.3	Very high	96.8	Very high	72 Å²	72	39.2 Å²	39.2	31%	0.313	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.4	171.7	-50.4	-61.8	179	-173.7	0	109.9	G211 R212 V213 P334	G211-K255 PolarHBondContact O-N 3.09Å; G211-K255 VanDerWaalsContact O-N 3.09Å; R212-K255 CarbonylContact C-O 3.59Å; R212-K255 WeakPolarHBondContact CA-O 3.45Å; V213-K255 PolarHBondContact N-O 3.2Å; K255-P334 HydrophobicContact CB-CG 3.77Å; K255-P334 HydrophobicContact CG-CG 4.08Å
256	V	98.8	Very high	96.2	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.5	177.6	-175.4	0	0	0	0	108	V213 L245 R246 V254	V213-V256 HydrophobicContact CB-CG1 4.44Å; V213-V256 HydrophobicContact CB-CG2 4.33Å; V213-V256 CarbonylContact O-C 3.45Å; V213-V256 VanDerWaalsContact O-CA 3.31Å; V213-V256 WeakPolarHBondContact O-CA 3.19Å; L245-V256 HydrophobicContact CD2-CG1 4.1Å; L245-V256 HydrophobicContact CD2-CG2 3.98Å; L245-V256 HydrophobicContact CG-CG2 3.94Å; R246-V256 HydrophobicContact CB-CB 3.87Å; R246-V256 HydrophobicContact CB-CG1 4.37Å; R246-V256 HydrophobicContact CB-CG2 4.3Å; R246-V256 HydrophobicContact CG-CB 4.22Å; V254-V256 HydrophobicContact CG1-CG2 4.45Å
257	S	98.8	Very high	95.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.1	178.1	-59.8	0	0	0	0	110.2	V213 V214 N215 Y335	V213-S257 PolarHBondContact O-N 2.98Å; V214-S257 WeakPolarHBondContact CA-O 3.47Å; N215-S257 PolarHBondContact N-O 3.14Å; S257-Y335 PolarHBondContact OG-O 3.31Å
258	V	98.8	Very high	94.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.5	171.4	-169.7	0	0	0	0	109.1	N215 S217 E239 E260 T336 R337 Y338	N215-V258 WeakPolarHBondContact O-CA 3.4Å; S217-V258 VanDerWaalsContact CB-CG1 3.47Å; E239-V258 VanDerWaalsContact OE1-CG1 3.22Å; E239-V258 WeakPolarHBondContact OE1-CG1 3.21Å; V258-E260 HydrophobicContact CG1-CG 4.2Å; V258-T336 PolarHBondContact N-O 3.15Å; V258-R337 HydrophobicContact CB-CG 4.32Å; V258-R337 CarbonylContact O-C 3.58Å; V258-R337 VanDerWaalsContact O-CA 3.29Å; V258-R337 WeakPolarHBondContact O-CA 3.42Å; V258-Y338 PolarHBondContact O-N 3.45Å
259	V	98.8	Very high	94.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.6	172.3	-176.2	0	0	0	0	107.4	V214 N215 I216 S217 P261 V321 A324 V325 Y338 P340	V214-V259 HydrophobicContact CG1-CG2 3.73Å; N215-V259 PolarHBondContact O-N 3.44Å; I216-V259 HydrophobicContact CD1-CB 3.84Å; I216-V259 HydrophobicContact CD1-CG1 4.38Å; I216-V259 HydrophobicContact CD1-CG2 4.15Å; S217-V259 WeakPolarHBondContact CA-O 3.37Å; S217-V259 PolarHBondContact N-O 3.15Å; V259-P261 VanDerWaalsContact C-CD 3.48Å; V259-P261 HydrophobicContact CG1-CG 4.29Å; V259-P261 VanDerWaalsContact O-CD 3.24Å; V259-P261 WeakPolarHBondContact O-CD 3.32Å; V259-V321 HydrophobicContact CG1-CG1 4.4Å; V259-A324 HydrophobicContact CG1-CB 4.15Å; V259-V325 HydrophobicContact CG2-CG2 3.99Å; V259-Y338 HydrophobicContact CG2-CD2 4.28Å; V259-Y338 HydrophobicContact CG2-CG 4.49Å; V259-P340 HydrophobicContact CG1-CG 3.56Å
260	E	97.9	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.			trans	-115.7	80.7	-175.4	-63.1	170.5	-167.2	0	0	109.3	R222 V258 R337 Y338 H339 M341	R222-E260 VanDerWaalsContact CD-CD 3.46Å; R222-E260 WeakPolarHBondContact CD-OE1 3.39Å; R222-E260 WeakPolarHBondContact CD-OE2 3.24Å; R222-E260 IonicContact NH1-OE2 2.81Å; V258-E260 HydrophobicContact CG1-CG 4.2Å; E260-R337 WeakPolarHBondContact OE1-CD 3.24Å; E260-R337 IonicContact OE1-NE 2.67Å; E260-R337 PolarHBondContact OE1-NE 3.47Å; E260-Y338 PolarHBondContact N-O 3.44Å; E260-H339 IonicContact OE2-CD2 3.14Å; E260-H339 PolarHBondContact OE2-CD2 3.24Å; E260-H339 IonicContact OE2-NE2 2.63Å; E260-H339 PolarHBondContact OE2-NE2 2.93Å; E260-H339 VanDerWaalsContact OE2-NE2 3.14Å; E260-M341 HydrophobicContact CB-CE 4.37Å; E260-M341 WeakPolarHBondContact O-CE 3.28Å
261	P	96.9	Very high	93	Very high	7 Å²	7	27.8 Å²	27.8	5%	0.045	18%	0.177	C	C	.	.			trans	-63.8	146.1	176.7	-21.8	33.6	0	0	0	112.7	F90 I216 M219 V259 F264 V321 P340	F90-P261 HydrophobicContact CE2-CB 4.41Å; F90-P261 HydrophobicContact CE2-CG 4.23Å; I216-P261 HydrophobicContact CG2-CG 4.21Å; M219-P261 PolarHBondContact N-O 3.27Å; V259-P261 VanDerWaalsContact C-CD 3.48Å; V259-P261 HydrophobicContact CG1-CG 4.29Å; V259-P261 VanDerWaalsContact O-CD 3.24Å; V259-P261 WeakPolarHBondContact O-CD 3.32Å; P261-F264 HydrophobicContact CB-CD2 3.79Å; P261-F264 HydrophobicContact CB-CE2 3.9Å; P261-V321 HydrophobicContact CB-CG2 4.12Å; P261-V321 HydrophobicContact CG-CG1 4.28Å; P261-V321 HydrophobicContact CG-CG2 4.12Å; P261-P340 WeakPolarHBondContact CA-O 3.28Å; P261-P340 HydrophobicContact CB-CG 4.45Å; P261-P340 HydrophobicContact CG-CG 4.33Å
262	G	94.3	Very high	92.5	Very high	10 Å²	10	24.8 Å²	24.8	10%	0.103	16%	0.156	C	C	.	.			trans	-76.4	-138.9	167.9	0	0	0	0	0	112.5	F264 P340	G262-F264 PolarHBondContact O-N 3.03Å; G262-P340 PolarHBondContact N-O 3.46Å; G262-P340 VanDerWaalsContact N-O 3.16Å
263	N	92	Very high	92	Very high	13 Å²	13	25.3 Å²	25.3	7%	0.07	16%	0.163	C	C	.	.	S	Bend	trans	-87.3	104	177.6	-170.7	14.4	0	0	0	112.3	I265 Y310 S313 G314 S315 W345	N263-I265 VanDerWaalsContact OD1-CG2 3.28Å; N263-I265 WeakPolarHBondContact OD1-CG2 3.33Å; N263-I265 PolarHBondContact OD1-N 3.25Å; N263-Y310 PolarHBondContact OD1-OH 3Å; N263-S313 PolarHBondContact ND2-OG 3.35Å; N263-G314 WeakPolarHBondContact ND2-CA 3.2Å; N263-G314 WeakPolarHBondContact O-CA 3.35Å; N263-S315 PolarHBondContact O-N 2.7Å; N263-W345 HydrophobicContact CB-CZ2 3.98Å
264	F	92.8	Very high	91.6	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	18%	0.181	C	C	.	.			trans	-120.4	24.8	173.9	-66.9	-98.7	0	0	0	111.4	F90 P261 G262 A266 A267 T268 D317 V321 P340	F90-F264 HydrophobicContact CE1-CB 4.2Å; F90-F264 HydrophobicContact CE1-CD1 4.12Å; F90-F264 HydrophobicContact CE1-CG 4.19Å; F90-F264 HydrophobicContact CZ-CB 3.56Å; F90-F264 HydrophobicContact CZ-CD1 4.06Å; F90-F264 HydrophobicContact CZ-CD2 4.14Å; F90-F264 AromaticContact CZ-CG 3.66Å; F90-F264 HydrophobicContact CZ-CG 3.66Å; P261-F264 HydrophobicContact CB-CD2 3.79Å; P261-F264 HydrophobicContact CB-CE2 3.9Å; G262-F264 PolarHBondContact O-N 3.03Å; F264-A266 PolarHBondContact O-N 2.84Å; F264-A267 HydrophobicContact CB-CB 4.42Å; F264-A267 PolarHBondContact O-N 2.99Å; F264-T268 HydrophobicContact CB-CG2 4.31Å; F264-T268 WeakPolarHBondContact O-CG2 3.45Å; F264-T268 PolarHBondContact O-N 3.3Å; F264-T268 PolarHBondContact O-OG1 3.45Å; F264-D317 WeakPolarHBondContact CE1-O 3.36Å; F264-V321 HydrophobicContact CD1-CG2 4.41Å; F264-V321 HydrophobicContact CD2-CG2 4.42Å; F264-V321 HydrophobicContact CE1-CG2 3.98Å; F264-V321 HydrophobicContact CE2-CG2 4.04Å; F264-V321 HydrophobicContact CZ-CG2 3.79Å; F264-P340 WeakPolarHBondContact CE2-O 3.35Å; F264-P340 WeakPolarHBondContact CZ-O 3.44Å
265	I	88.1	Confident	91.2	Very high	11 Å²	11	32 Å²	32	6%	0.056	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.2	-38.3	-170.6	-166.5	70.2	0	0	0	111.9	N263 A267 T268 L270 Y271 Y310 S313	N263-I265 VanDerWaalsContact OD1-CG2 3.28Å; N263-I265 WeakPolarHBondContact OD1-CG2 3.33Å; N263-I265 PolarHBondContact OD1-N 3.25Å; I265-A267 VanDerWaalsContact C-N 3.27Å; I265-A267 PolarHBondContact O-N 3.21Å; I265-T268 PolarHBondContact O-N 2.94Å; I265-T268 VanDerWaalsContact O-N 3.15Å; I265-T268 PolarHBondContact O-OG1 3.05Å; I265-L270 HydrophobicContact CD1-CB 3.74Å; I265-L270 HydrophobicContact CD1-CD1 4.38Å; I265-Y271 HydrophobicContact CD1-CD2 3.27Å; I265-Y271 HydrophobicContact CD1-CE2 3.73Å; I265-Y271 HydrophobicContact CD1-CG 4.26Å; I265-Y271 HydrophobicContact CG1-CD2 3.74Å; I265-Y271 HydrophobicContact CG1-CE2 4.44Å; I265-Y310 HydrophobicContact CB-CE1 4.3Å; I265-Y310 HydrophobicContact CG1-CE1 4.5Å; I265-Y310 HydrophobicContact CG2-CD1 4.27Å; I265-Y310 HydrophobicContact CG2-CE1 3.96Å; I265-Y310 WeakPolarHBondContact CG2-O 3.44Å; I265-S313 WeakPolarHBondContact CG2-O 3.34Å
266	A	85.7	Confident	90.9	Very high	40 Å²	40	28.6 Å²	28.6	33%	0.331	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-62.1	-24.9	173.2	0	0	0	0	0	115.2	F264 S313 T316	F264-A266 PolarHBondContact O-N 2.84Å; A266-S313 VanDerWaalsContact CB-O 3.24Å; A266-S313 WeakPolarHBondContact CB-O 3.27Å; A266-S313 PolarHBondContact N-O 2.7Å; A266-S313 VanDerWaalsContact N-O 3.14Å; A266-T316 HydrophobicContact CB-CG2 4.02Å
267	A	85.6	Confident	90.6	Very high	25 Å²	25	32.9 Å²	32.9	21%	0.207	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-90.3	-10.9	177.3	0	0	0	0	0	113.6	F264 I265 S315 T318	F264-A267 HydrophobicContact CB-CB 4.42Å; F264-A267 PolarHBondContact O-N 2.99Å; I265-A267 VanDerWaalsContact C-N 3.27Å; I265-A267 PolarHBondContact O-N 3.21Å; A267-S315 WeakPolarHBondContact CB-O 3.38Å; A267-T318 HydrophobicContact CB-CG2 3.61Å
268	T	84.6	Confident	90.4	Very high	18 Å²	18	35.7 Å²	35.7	11%	0.11	22%	0.219	C	C	.	.	S	Bend	trans	-115.5	144.6	-171.1	66.3	0	0	0	0	110.8	F90 F264 I265 L270	F90-T268 HydrophobicContact CD2-CG2 4.3Å; F90-T268 HydrophobicContact CE1-CG2 4.25Å; F90-T268 HydrophobicContact CE2-CG2 3.9Å; F90-T268 HydrophobicContact CZ-CG2 3.87Å; F264-T268 HydrophobicContact CB-CG2 4.31Å; F264-T268 WeakPolarHBondContact O-CG2 3.45Å; F264-T268 PolarHBondContact O-N 3.3Å; F264-T268 PolarHBondContact O-OG1 3.45Å; I265-T268 PolarHBondContact O-N 2.94Å; I265-T268 VanDerWaalsContact O-N 3.15Å; I265-T268 PolarHBondContact O-OG1 3.05Å; T268-L270 PolarHBondContact O-N 3.41Å
269	S	82.1	Confident	90.2	Very high	86 Å²	86	37.3 Å²	37.3	60%	0.601	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	25	172.5	-45.6	0	0	0	0	113.1	S88 Y271	S88-S269 WeakPolarHBondContact CB-OG 3.28Å; S88-S269 WeakPolarHBondContact OG-CB 3.37Å; S88-S269 PolarHBondContact OG-OG 3.29Å; S269-Y271 VanDerWaalsContact C-N 3.25Å; S269-Y271 PolarHBondContact O-N 3Å
270	L	85.3	Confident	90	Very high	56 Å²	56	37.7 Å²	37.7	29%	0.293	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.5	179	-75.3	176.1	0	0	0	112.1	G169 I265 T268	G169-L270 WeakPolarHBondContact O-CD2 3.36Å; I265-L270 HydrophobicContact CD1-CB 3.74Å; I265-L270 HydrophobicContact CD1-CD1 4.38Å; T268-L270 PolarHBondContact O-N 3.41Å
271	Y	86.6	Confident	89.8	Confident	16 Å²	16	44.1 Å²	44.1	6%	0.063	26%	0.259	C	S	.	.			trans	-134.8	138	168.2	-64.8	-59.7	0	0	0	110.2	S171 T172 F173 R228 I265 S269 I276 I279 M307	S171-Y271 VanDerWaalsContact C-OH 3.29Å; S171-Y271 VanDerWaalsContact CB-OH 3.28Å; S171-Y271 WeakPolarHBondContact CB-OH 3.48Å; S171-Y271 PolarHBondContact OG-OH 3.16Å; S171-Y271 VanDerWaalsContact OG-OH 3.08Å; T172-Y271 VanDerWaalsContact CA-OH 3.28Å; T172-Y271 WeakPolarHBondContact CA-OH 3.4Å; T172-Y271 PolarHBondContact N-OH 3.35Å; T172-Y271 VanDerWaalsContact N-OH 3.11Å; T172-Y271 PolarHBondContact O-OH 2.99Å; F173-Y271 HydrophobicContact CD1-CD1 4.47Å; F173-Y271 AromaticContact CD1-CE1 3.75Å; F173-Y271 HydrophobicContact CD1-CE1 3.75Å; F173-Y271 HydrophobicContact CE1-CE1 4.21Å; R228-Y271 PolarHBondContact NH1-OH 2.69Å; R228-Y271 PolarHBondContact NH2-OH 3.02Å; I265-Y271 HydrophobicContact CD1-CD2 3.27Å; I265-Y271 HydrophobicContact CD1-CE2 3.73Å; I265-Y271 HydrophobicContact CD1-CG 4.26Å; I265-Y271 HydrophobicContact CG1-CD2 3.74Å; I265-Y271 HydrophobicContact CG1-CE2 4.44Å; S269-Y271 VanDerWaalsContact C-N 3.25Å; S269-Y271 PolarHBondContact O-N 3Å; Y271-I276 HydrophobicContact CD1-CG1 4.04Å; Y271-I276 HydrophobicContact CG-CD1 4.39Å; Y271-I276 HydrophobicContact CG-CG1 4.18Å; Y271-I279 HydrophobicContact CD1-CD1 4.39Å; Y271-I279 HydrophobicContact CE1-CD1 4.06Å; Y271-M307 HydrophobicContact CD1-CE 4.42Å; Y271-M307 HydrophobicContact CD2-CE 3.39Å; Y271-M307 HydrophobicContact CE1-CE 4.18Å; Y271-M307 HydrophobicContact CE2-CE 3.13Å; Y271-M307 HydrophobicContact CG-CE 4.09Å
272	S	85.8	Confident	89.7	Confident	43 Å²	43	47.6 Å²	47.6	30%	0.301	27%	0.273	S	S	.	.			trans	-113.3	159.2	155.5	83.8	0	0	0	0	109.8	E274 S275 I276	S272-E274 WeakPolarHBondContact CB-OE2 3.22Å; S272-E274 PolarHBondContact O-N 2.83Å; S272-E274 PolarHBondContact OG-N 2.86Å; S272-E274 PolarHBondContact OG-OE2 3.4Å; S272-S275 PolarHBondContact N-OG 3.49Å; S272-S275 PolarHBondContact O-N 2.83Å; S272-S275 PolarHBondContact O-OG 3.14Å; S272-S275 PolarHBondContact OG-N 3.25Å; S272-S275 VanDerWaalsContact OG-N 3.1Å; S272-I276 WeakPolarHBondContact O-CG1 3.27Å; S272-I276 PolarHBondContact O-N 3.17Å
273	P	85.9	Confident	89.8	Confident	81 Å²	81	47.8 Å²	47.8	53%	0.526	27%	0.271	S	S	.	.	H	α-helix	trans	-49.7	-42.3	172.9	-27.6	36.2	0	0	0	112.6	I276 Q277	P273-I276 PolarHBondContact O-N 3.39Å; P273-Q277 WeakPolarHBondContact O-CG 3.35Å; P273-Q277 PolarHBondContact O-N 2.88Å; P273-Q277 VanDerWaalsContact O-N 3.12Å
274	E	88.5	Confident	89.9	Confident	132 Å²	132	49.3 Å²	49.3	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-65.3	-43.2	179.1	-54.6	70.9	-150.1	0	0	111.5	S272 I276 Q277 A278	S272-E274 WeakPolarHBondContact CB-OE2 3.22Å; S272-E274 PolarHBondContact O-N 2.83Å; S272-E274 PolarHBondContact OG-N 2.86Å; S272-E274 PolarHBondContact OG-OE2 3.4Å; E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 3.02Å; E274-Q277 PolarHBondContact O-N 3.18Å; E274-A278 WeakPolarHBondContact O-CB 3.32Å; E274-A278 PolarHBondContact O-N 3.13Å
275	S	90.4	Very high	90	Very high	36 Å²	36	52.8 Å²	52.8	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-35.3	177.7	74.3	0	0	0	0	112.2	S272 A278 I279	S272-S275 PolarHBondContact N-OG 3.49Å; S272-S275 PolarHBondContact O-N 2.83Å; S272-S275 PolarHBondContact O-OG 3.14Å; S272-S275 PolarHBondContact OG-N 3.25Å; S272-S275 VanDerWaalsContact OG-N 3.1Å; S275-A278 PolarHBondContact O-N 2.8Å; S275-I279 WeakPolarHBondContact O-CB 3.24Å; S275-I279 WeakPolarHBondContact O-CD1 3.33Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 3.24Å
276	I	91.7	Very high	90.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-45.8	177.3	-69.6	170.2	0	0	0	109.6	F173 Y271 S272 P273 E274 A278 I279 A280 I304 E308 C311	F173-I276 HydrophobicContact CE1-CB 4.31Å; F173-I276 HydrophobicContact CE1-CG1 4.13Å; F173-I276 HydrophobicContact CE1-CG2 4.06Å; F173-I276 HydrophobicContact CZ-CB 4.44Å; F173-I276 HydrophobicContact CZ-CG2 3.79Å; Y271-I276 HydrophobicContact CD1-CG1 4.04Å; Y271-I276 HydrophobicContact CG-CD1 4.39Å; Y271-I276 HydrophobicContact CG-CG1 4.18Å; S272-I276 WeakPolarHBondContact O-CG1 3.27Å; S272-I276 PolarHBondContact O-N 3.17Å; P273-I276 PolarHBondContact O-N 3.39Å; E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 3.02Å; I276-A278 VanDerWaalsContact C-N 3.35Å; I276-A278 PolarHBondContact O-N 2.79Å; I276-I279 PolarHBondContact O-N 3.5Å; I276-A280 VanDerWaalsContact O-CB 3.28Å; I276-A280 WeakPolarHBondContact O-CB 3.26Å; I276-A280 PolarHBondContact O-N 3.3Å; I276-I304 HydrophobicContact CG2-CG2 4.41Å; I276-E308 HydrophobicContact CG2-CG 3.89Å; I276-C311 HydrophobicContact CD1-CB 3.49Å; I276-C311 VanDerWaalsContact CD1-CB 3.49Å; I276-C311 VanDerWaalsContact CD1-SG 3.59Å
277	Q	92.7	Very high	90.8	Very high	97 Å²	97	55.3 Å²	55.3	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175.6	-65.6	-51.3	-40.2	0	0	112.2	P273 E274 A280 K281 E308	P273-Q277 WeakPolarHBondContact O-CG 3.35Å; P273-Q277 PolarHBondContact O-N 2.88Å; P273-Q277 VanDerWaalsContact O-N 3.12Å; E274-Q277 PolarHBondContact O-N 3.18Å; Q277-A280 PolarHBondContact O-N 3.33Å; Q277-K281 VanDerWaalsContact O-CB 3.31Å; Q277-K281 WeakPolarHBondContact O-CB 3.32Å; Q277-K281 PolarHBondContact O-N 3.02Å; Q277-E308 PolarHBondContact NE2-OE1 2.98Å
278	A	93.6	Very high	91.2	Very high	60 Å²	60	57.4 Å²	57.4	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-44.7	178.1	0	0	0	0	0	111.9	E274 S275 I276 K282	E274-A278 WeakPolarHBondContact O-CB 3.32Å; E274-A278 PolarHBondContact O-N 3.13Å; S275-A278 PolarHBondContact O-N 2.8Å; I276-A278 VanDerWaalsContact C-N 3.35Å; I276-A278 PolarHBondContact O-N 2.79Å; A278-K282 WeakPolarHBondContact O-CB 3.49Å; A278-K282 PolarHBondContact O-N 3.13Å
279	I	94.1	Very high	91.8	Very high	39 Å²	39	62.6 Å²	62.6	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-48	175.5	-69.2	164.8	0	0	0	110.2	F173 Y271 S275 I276 K281 K282 M283	F173-I279 HydrophobicContact CD1-CD1 4.45Å; F173-I279 HydrophobicContact CD1-CG2 4.18Å; F173-I279 HydrophobicContact CE1-CB 3.94Å; F173-I279 HydrophobicContact CE1-CD1 4.03Å; F173-I279 HydrophobicContact CE1-CG2 3.67Å; F173-I279 HydrophobicContact CE2-CG2 4.27Å; F173-I279 HydrophobicContact CZ-CB 4.05Å; F173-I279 HydrophobicContact CZ-CG2 3.72Å; Y271-I279 HydrophobicContact CD1-CD1 4.39Å; Y271-I279 HydrophobicContact CE1-CD1 4.06Å; S275-I279 WeakPolarHBondContact O-CB 3.24Å; S275-I279 WeakPolarHBondContact O-CD1 3.33Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 3.24Å; I276-I279 PolarHBondContact O-N 3.5Å; I279-K281 PolarHBondContact O-N 2.85Å; I279-K282 PolarHBondContact O-N 2.73Å; I279-M283 HydrophobicContact CG2-CE 3.85Å; I279-M283 WeakPolarHBondContact O-CB 3.28Å; I279-M283 PolarHBondContact O-N 3.48Å
280	A	95.1	Very high	92.5	Very high	7 Å²	7	62.7 Å²	62.7	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-45.5	179.6	0	0	0	0	0	111.7	I276 Q277 M283 W284 F300 I304	I276-A280 VanDerWaalsContact O-CB 3.28Å; I276-A280 WeakPolarHBondContact O-CB 3.26Å; I276-A280 PolarHBondContact O-N 3.3Å; Q277-A280 PolarHBondContact O-N 3.33Å; A280-M283 PolarHBondContact O-N 3.17Å; A280-W284 WeakPolarHBondContact O-CB 3.39Å; A280-W284 PolarHBondContact O-N 2.9Å; A280-F300 HydrophobicContact CB-CZ 4.46Å; A280-F300 WeakPolarHBondContact O-CZ 3.4Å; A280-I304 HydrophobicContact CB-CD1 3.64Å; A280-I304 HydrophobicContact CB-CG1 3.93Å; A280-I304 HydrophobicContact CB-CG2 3.91Å
281	K	94.8	Very high	93	Very high	136 Å²	136	60.6 Å²	60.6	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-61.6	-51.2	177.3	-178.8	178.4	-177.3	-57.5	0	111.5	Q277 I279 M283 W284 D285	Q277-K281 VanDerWaalsContact O-CB 3.31Å; Q277-K281 WeakPolarHBondContact O-CB 3.32Å; Q277-K281 PolarHBondContact O-N 3.02Å; I279-K281 PolarHBondContact O-N 2.85Å; K281-M283 VanDerWaalsContact C-N 3.31Å; K281-M283 PolarHBondContact O-N 2.93Å; K281-W284 PolarHBondContact O-N 2.98Å; K281-D285 WeakPolarHBondContact CG-OD2 3.28Å; K281-D285 IonicContact NZ-OD2 2.65Å; K281-D285 PolarHBondContact NZ-OD2 3.26Å; K281-D285 WeakPolarHBondContact O-CB 3.37Å; K281-D285 PolarHBondContact O-N 2.7Å
282	K	94.8	Very high	93.4	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.348	33%	0.332	S	S	.	.	H	α-helix	trans	-56.2	-47.6	176.9	-179.3	-174.6	175.5	-172.4	0	111	E186 A278 I279 W284 D285 E286	E186-K282 IonicContact OE2-NZ 3.24Å; A278-K282 WeakPolarHBondContact O-CB 3.49Å; A278-K282 PolarHBondContact O-N 3.13Å; I279-K282 PolarHBondContact O-N 2.73Å; K282-W284 PolarHBondContact O-N 3.22Å; K282-D285 PolarHBondContact O-N 3.24Å; K282-E286 WeakPolarHBondContact CE-OE1 3.43Å; K282-E286 HydrophobicContact CG-CG 4.4Å; K282-E286 VanDerWaalsContact CG-OE1 3.29Å; K282-E286 WeakPolarHBondContact CG-OE1 3.4Å; K282-E286 WeakPolarHBondContact O-CB 3.45Å; K282-E286 WeakPolarHBondContact O-CG 3.14Å; K282-E286 PolarHBondContact O-N 3.49Å
283	M	95.3	Very high	93.9	Very high	13 Å²	13	68.4 Å²	68.4	6%	0.064	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-46.3	179.9	-170.1	-169.6	-51.7	0	0	111.8	F173 F178 I279 A280 K281 L287 F300	F173-M283 HydrophobicContact CD2-CE 3.99Å; F173-M283 HydrophobicContact CE2-CE 3.89Å; F173-M283 WeakPolarHBondContact O-CE 3.39Å; F178-M283 HydrophobicContact CB-CG 3.92Å; F178-M283 HydrophobicContact CB-SD 3.61Å; F178-M283 HydrophobicContact CD2-SD 4.3Å; F178-M283 HydrophobicContact CG-SD 4.44Å; F178-M283 WeakPolarHBondContact O-CG 3.39Å; I279-M283 HydrophobicContact CG2-CE 3.85Å; I279-M283 WeakPolarHBondContact O-CB 3.28Å; I279-M283 PolarHBondContact O-N 3.48Å; A280-M283 PolarHBondContact O-N 3.17Å; K281-M283 VanDerWaalsContact C-N 3.31Å; K281-M283 PolarHBondContact O-N 2.93Å; M283-L287 WeakPolarHBondContact O-CB 3.38Å; M283-L287 PolarHBondContact O-N 3.28Å; M283-F300 HydrophobicContact CB-CE2 4.36Å; M283-F300 HydrophobicContact CB-CZ 4.33Å; M283-F300 HydrophobicContact CG-CE2 4.01Å; M283-F300 HydrophobicContact CG-CZ 4.46Å; M283-F300 HydrophobicContact SD-CE2 3.63Å; M283-F300 HydrophobicContact SD-CZ 4.19Å
284	W	95.2	Very high	94.4	Very high	45 Å²	45	70.3 Å²	70.3	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-45.9	177.2	-175	-100.6	0	0	0	111.5	A280 K281 K282 E286 L287 R292 K297 F300	A280-W284 WeakPolarHBondContact O-CB 3.39Å; A280-W284 PolarHBondContact O-N 2.9Å; K281-W284 PolarHBondContact O-N 2.98Å; K282-W284 PolarHBondContact O-N 3.22Å; W284-E286 VanDerWaalsContact C-N 3.34Å; W284-E286 PolarHBondContact O-N 3.15Å; W284-L287 HydrophobicContact CE3-CD2 4.12Å; W284-L287 HydrophobicContact CZ3-CD2 4.08Å; W284-L287 VanDerWaalsContact O-CB 3.27Å; W284-L287 WeakPolarHBondContact O-CB 3.28Å; W284-L287 PolarHBondContact O-N 3.21Å; W284-R292 HydrophobicContact CH2-CB 4.23Å; W284-R292 HydrophobicContact CH2-CG 3.95Å; W284-R292 HydrophobicContact CZ2-CG 4.06Å; W284-R292 HydrophobicContact CZ3-CG 4.3Å; W284-R292 VanDerWaalsContact O-CZ 3.25Å; W284-R292 PolarHBondContact O-NE 3.38Å; W284-R292 PolarHBondContact O-NH2 2.87Å; W284-K297 HydrophobicContact CD2-CD 3.87Å; W284-K297 HydrophobicContact CE3-CD 3.94Å; W284-K297 VanDerWaalsContact CH2-CA 3.48Å; W284-K297 HydrophobicContact CH2-CB 3.67Å; W284-K297 HydrophobicContact CH2-CD 3.71Å; W284-K297 HydrophobicContact CH2-CG 4.25Å; W284-K297 HydrophobicContact CZ2-CB 3.87Å; W284-K297 HydrophobicContact CZ2-CD 3.63Å; W284-K297 HydrophobicContact CZ2-CG 4.16Å; W284-K297 HydrophobicContact CZ3-CB 4.42Å; W284-K297 HydrophobicContact CZ3-CD 3.86Å; W284-F300 HydrophobicContact CB-CE1 3.93Å; W284-F300 HydrophobicContact CB-CE2 4.4Å; W284-F300 HydrophobicContact CB-CZ 3.8Å; W284-F300 HydrophobicContact CD2-CD1 4.32Å; W284-F300 HydrophobicContact CD2-CE1 4.46Å; W284-F300 HydrophobicContact CD2-CG 4.5Å; W284-F300 HydrophobicContact CE3-CB 3.85Å; W284-F300 AromaticContact CE3-CD1 3.62Å; W284-F300 HydrophobicContact CE3-CD1 3.62Å; W284-F300 AromaticContact CE3-CD2 3.64Å; W284-F300 HydrophobicContact CE3-CD2 3.64Å; W284-F300 HydrophobicContact CE3-CE1 4.03Å; W284-F300 HydrophobicContact CE3-CE2 4.04Å; W284-F300 AromaticContact CE3-CG 3.41Å; W284-F300 HydrophobicContact CE3-CG 3.41Å; W284-F300 VanDerWaalsContact CE3-CG 3.41Å; W284-F300 HydrophobicContact CE3-CZ 4.23Å; W284-F300 HydrophobicContact CG-CE1 4.45Å; W284-F300 HydrophobicContact CZ3-CB 3.6Å; W284-F300 HydrophobicContact CZ3-CD1 4.23Å; W284-F300 HydrophobicContact CZ3-CD2 4.1Å; W284-F300 AromaticContact CZ3-CG 3.72Å; W284-F300 HydrophobicContact CZ3-CG 3.72Å
285	D	94.3	Very high	94.8	Very high	87 Å²	87	68 Å²	68	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-33.7	-176.9	-71.6	-13.8	0	0	0	112.7	K281 K282 R292	K281-D285 WeakPolarHBondContact CG-OD2 3.28Å; K281-D285 IonicContact NZ-OD2 2.65Å; K281-D285 PolarHBondContact NZ-OD2 3.26Å; K281-D285 WeakPolarHBondContact O-CB 3.37Å; K281-D285 PolarHBondContact O-N 2.7Å; K282-D285 PolarHBondContact O-N 3.24Å; D285-R292 PolarHBondContact O-NH2 3.26Å
286	E	94.4	Very high	95	Very high	97 Å²	97	67.4 Å²	67.4	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-84.6	-11.2	176.8	-69.9	177.6	-171.6	0	0	113.5	S180 K282 W284	S180-E286 PolarHBondContact OG-OE2 3.41Å; K282-E286 WeakPolarHBondContact CE-OE1 3.43Å; K282-E286 HydrophobicContact CG-CG 4.4Å; K282-E286 VanDerWaalsContact CG-OE1 3.29Å; K282-E286 WeakPolarHBondContact CG-OE1 3.4Å; K282-E286 WeakPolarHBondContact O-CB 3.45Å; K282-E286 WeakPolarHBondContact O-CG 3.14Å; K282-E286 PolarHBondContact O-N 3.49Å; W284-E286 VanDerWaalsContact C-N 3.34Å; W284-E286 PolarHBondContact O-N 3.15Å
287	L	95.3	Very high	95.2	Very high	8 Å²	8	71.9 Å²	71.9	4%	0.042	36%	0.359	C	S	.	.	S	Bend	trans	-66.1	130.2	-172.1	-158.2	62.7	0	0	0	112.3	E177 F178 M283 W284 V291 R292	E177-L287 WeakPolarHBondContact O-CD1 3.3Å; F178-L287 HydrophobicContact CB-CD1 4.18Å; F178-L287 HydrophobicContact CD1-CD1 3.87Å; F178-L287 HydrophobicContact CD1-CD2 4.19Å; F178-L287 HydrophobicContact CE1-CD2 4.41Å; F178-L287 HydrophobicContact CG-CD1 4.31Å; M283-L287 WeakPolarHBondContact O-CB 3.38Å; M283-L287 PolarHBondContact O-N 3.28Å; W284-L287 HydrophobicContact CE3-CD2 4.12Å; W284-L287 HydrophobicContact CZ3-CD2 4.08Å; W284-L287 VanDerWaalsContact O-CB 3.27Å; W284-L287 WeakPolarHBondContact O-CB 3.28Å; W284-L287 PolarHBondContact O-N 3.21Å; L287-V291 HydrophobicContact CD1-CB 4.23Å; L287-V291 HydrophobicContact CD1-CG1 3.82Å; L287-V291 HydrophobicContact CD2-CB 4.45Å; L287-V291 HydrophobicContact CD2-CG1 4Å; L287-V291 HydrophobicContact CG-CB 4.04Å; L287-V291 HydrophobicContact CG-CG1 3.94Å; L287-R292 HydrophobicContact CB-CG 3.9Å; L287-R292 HydrophobicContact CD2-CG 3.78Å; L287-R292 HydrophobicContact CG-CG 3.98Å; L287-R292 VanDerWaalsContact O-CZ 3.31Å; L287-R292 PolarHBondContact O-NE 2.81Å; L287-R292 PolarHBondContact O-NH2 3.41Å
288	P	95.3	Very high	95.4	Very high	69 Å²	69	74.7 Å²	74.7	45%	0.448	37%	0.37	S	S	.	.			trans	-58.1	145.8	176.1	-24.7	34.4	0	0	0	112.2	V290 V291 R292	P288-V290 VanDerWaalsContact C-N 3.25Å; P288-V290 HydrophobicContact CB-CG1 4.11Å; P288-V290 PolarHBondContact O-N 2.96Å; P288-V291 HydrophobicContact CB-CG2 4.16Å; P288-V291 HydrophobicContact CG-CG2 4.26Å; P288-V291 PolarHBondContact O-N 2.79Å; P288-V291 VanDerWaalsContact O-N 3.09Å; P288-R292 PolarHBondContact O-N 3.29Å
289	E	95.8	Very high	95.4	Very high	126 Å²	126	75.3 Å²	75.3	59%	0.589	36%	0.359	S	S	*	.	H	α-helix	trans	-58.9	-37.8	-177.1	-169.6	-175.6	167.7	0	0	112.4	V291 R292 K293	E289-V291 PolarHBondContact O-N 3.33Å; E289-R292 PolarHBondContact O-N 3.41Å; E289-K293 HydrophobicContact CG-CD 4.36Å; E289-K293 WeakPolarHBondContact O-CG 3.28Å; E289-K293 PolarHBondContact O-N 3.45Å; E289-K293 WeakPolarHBondContact OE1-CE 3.47Å; E289-K293 IonicContact OE1-NZ 2.7Å; E289-K293 PolarHBondContact OE1-NZ 3.49Å
290	V	96.8	Very high	95.5	Very high	89 Å²	89	73.7 Å²	73.7	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-48.1	175.8	61.5	0	0	0	0	111.4	P288 R292 K293 D294	P288-V290 VanDerWaalsContact C-N 3.25Å; P288-V290 HydrophobicContact CB-CG1 4.11Å; P288-V290 PolarHBondContact O-N 2.96Å; V290-R292 PolarHBondContact O-N 2.95Å; V290-K293 PolarHBondContact O-N 2.9Å; V290-D294 VanDerWaalsContact O-CG 3.25Å; V290-D294 PolarHBondContact O-N 2.77Å
291	V	96.3	Very high	95.5	Very high	11 Å²	11	76.9 Å²	76.9	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-66.2	-40.2	178.8	-175.8	0	0	0	0	110.8	E177 F178 L287 P288 E289 K293 D294 Y295	E177-V291 HydrophobicContact CB-CG1 4.15Å; E177-V291 HydrophobicContact CB-CG2 4.46Å; F178-V291 HydrophobicContact CD1-CG1 3.82Å; F178-V291 HydrophobicContact CE1-CG1 3.71Å; L287-V291 HydrophobicContact CD1-CB 4.23Å; L287-V291 HydrophobicContact CD1-CG1 3.82Å; L287-V291 HydrophobicContact CD2-CB 4.45Å; L287-V291 HydrophobicContact CD2-CG1 4Å; L287-V291 HydrophobicContact CG-CB 4.04Å; L287-V291 HydrophobicContact CG-CG1 3.94Å; P288-V291 HydrophobicContact CB-CG2 4.16Å; P288-V291 HydrophobicContact CG-CG2 4.26Å; P288-V291 PolarHBondContact O-N 2.79Å; P288-V291 VanDerWaalsContact O-N 3.09Å; E289-V291 PolarHBondContact O-N 3.33Å; V291-K293 VanDerWaalsContact C-N 3.3Å; V291-K293 PolarHBondContact O-N 2.97Å; V291-D294 PolarHBondContact O-N 2.98Å; V291-Y295 HydrophobicContact CG1-CD2 3.61Å; V291-Y295 HydrophobicContact CG1-CE2 3.83Å; V291-Y295 WeakPolarHBondContact O-CD2 3.24Å; V291-Y295 PolarHBondContact O-N 3.11Å; V291-Y295 VanDerWaalsContact O-N 3.07Å
292	R	95.2	Very high	95.5	Very high	79 Å²	79	74.8 Å²	74.8	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-39.7	174.7	-73.1	-177.5	-174.8	154.8	10.1	112.4	W284 D285 L287 P288 E289 V290 G296	W284-R292 HydrophobicContact CH2-CB 4.23Å; W284-R292 HydrophobicContact CH2-CG 3.95Å; W284-R292 HydrophobicContact CZ2-CG 4.06Å; W284-R292 HydrophobicContact CZ3-CG 4.3Å; W284-R292 VanDerWaalsContact O-CZ 3.25Å; W284-R292 PolarHBondContact O-NE 3.38Å; W284-R292 PolarHBondContact O-NH2 2.87Å; D285-R292 PolarHBondContact O-NH2 3.26Å; L287-R292 HydrophobicContact CB-CG 3.9Å; L287-R292 HydrophobicContact CD2-CG 3.78Å; L287-R292 HydrophobicContact CG-CG 3.98Å; L287-R292 VanDerWaalsContact O-CZ 3.31Å; L287-R292 PolarHBondContact O-NE 2.81Å; L287-R292 PolarHBondContact O-NH2 3.41Å; P288-R292 PolarHBondContact O-N 3.29Å; E289-R292 PolarHBondContact O-N 3.41Å; V290-R292 PolarHBondContact O-N 2.95Å; R292-G296 WeakPolarHBondContact O-CA 3.46Å; R292-G296 PolarHBondContact O-N 2.77Å
293	K	95.8	Very high	95.5	Very high	144 Å²	144	73.9 Å²	73.9	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-70.6	-43.9	179	-76.2	177.7	-179	168	0	111.8	E289 V290 V291	E289-K293 HydrophobicContact CG-CD 4.36Å; E289-K293 WeakPolarHBondContact O-CG 3.28Å; E289-K293 PolarHBondContact O-N 3.45Å; E289-K293 WeakPolarHBondContact OE1-CE 3.47Å; E289-K293 IonicContact OE1-NZ 2.7Å; E289-K293 PolarHBondContact OE1-NZ 3.49Å; V290-K293 PolarHBondContact O-N 2.9Å; V291-K293 VanDerWaalsContact C-N 3.3Å; V291-K293 PolarHBondContact O-N 2.97Å
294	D	97.1	Very high	95.4	Very high	122 Å²	122	73.8 Å²	73.8	65%	0.652	36%	0.355	S	S	*	.	H	α-helix	trans	-70.2	-43	-175	-67.9	-14.4	0	0	0	112.2	V290 V291	V290-D294 VanDerWaalsContact O-CG 3.25Å; V290-D294 PolarHBondContact O-N 2.77Å; V291-D294 PolarHBondContact O-N 2.98Å
295	Y	96.1	Very high	95.3	Very high	84 Å²	84	73.7 Å²	73.7	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-90.3	-35.4	-178.8	-69.6	-92.4	0	0	0	113	E177 F178 V291 Y299	E177-Y295 WeakPolarHBondContact OE2-CE2 3.35Å; E177-Y295 VanDerWaalsContact OE2-CZ 3.31Å; E177-Y295 PolarHBondContact OE2-OH 3.08Å; F178-Y295 HydrophobicContact CE1-CD1 4.03Å; F178-Y295 AromaticContact CE1-CD2 3.8Å; F178-Y295 HydrophobicContact CE1-CD2 3.8Å; F178-Y295 HydrophobicContact CE1-CE1 4.33Å; F178-Y295 HydrophobicContact CE1-CE2 4.12Å; F178-Y295 AromaticContact CE1-CG 3.73Å; F178-Y295 HydrophobicContact CE1-CG 3.73Å; F178-Y295 AromaticContact CZ-CD1 3.81Å; F178-Y295 HydrophobicContact CZ-CD1 3.81Å; F178-Y295 HydrophobicContact CZ-CD2 4.33Å; F178-Y295 HydrophobicContact CZ-CE1 4.34Å; F178-Y295 AromaticContact CZ-CG 3.78Å; F178-Y295 HydrophobicContact CZ-CG 3.78Å; V291-Y295 HydrophobicContact CG1-CD2 3.61Å; V291-Y295 HydrophobicContact CG1-CE2 3.83Å; V291-Y295 WeakPolarHBondContact O-CD2 3.24Å; V291-Y295 PolarHBondContact O-N 3.11Å; V291-Y295 VanDerWaalsContact O-N 3.07Å; Y295-Y299 AromaticContact CD1-CD1 3.79Å; Y295-Y299 HydrophobicContact CD1-CD1 3.79Å; Y295-Y299 AromaticContact CD1-CE1 3.54Å; Y295-Y299 HydrophobicContact CD1-CE1 3.54Å; Y295-Y299 HydrophobicContact CE1-CE1 4.16Å; Y295-Y299 HydrophobicContact CG-CD1 4.37Å; Y295-Y299 HydrophobicContact CG-CE1 4.48Å; Y295-Y299 WeakPolarHBondContact O-CB 3.05Å
296	G	95.8	Very high	95.1	Very high	23 Å²	23	76 Å²	76	24%	0.237	37%	0.37	C	S	.	.	H	α-helix	trans	75.4	156.2	-177.1	0	0	0	0	0	114.4	R292 K298 Y299 F300	R292-G296 WeakPolarHBondContact O-CA 3.46Å; R292-G296 PolarHBondContact O-N 2.77Å; G296-K298 VanDerWaalsContact C-N 3.35Å; G296-K298 PolarHBondContact O-N 3.41Å; G296-Y299 PolarHBondContact O-N 2.86Å; G296-F300 PolarHBondContact O-N 3.4Å
297	K	94.9	Very high	95	Very high	94 Å²	94	72.2 Å²	72.2	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-36.9	-178.1	-177.8	52.2	176.1	-79.8	0	113	W284 Y299 F300 D301	W284-K297 HydrophobicContact CD2-CD 3.87Å; W284-K297 HydrophobicContact CE3-CD 3.94Å; W284-K297 VanDerWaalsContact CH2-CA 3.48Å; W284-K297 HydrophobicContact CH2-CB 3.67Å; W284-K297 HydrophobicContact CH2-CD 3.71Å; W284-K297 HydrophobicContact CH2-CG 4.25Å; W284-K297 HydrophobicContact CZ2-CB 3.87Å; W284-K297 HydrophobicContact CZ2-CD 3.63Å; W284-K297 HydrophobicContact CZ2-CG 4.16Å; W284-K297 HydrophobicContact CZ3-CB 4.42Å; W284-K297 HydrophobicContact CZ3-CD 3.86Å; K297-Y299 PolarHBondContact O-N 2.81Å; K297-F300 HydrophobicContact CD-CD1 4.23Å; K297-F300 WeakPolarHBondContact O-CB 3.38Å; K297-F300 PolarHBondContact O-N 2.96Å; K297-D301 WeakPolarHBondContact CD-OD1 3.39Å; K297-D301 VanDerWaalsContact CE-CG 3.42Å; K297-D301 WeakPolarHBondContact CE-OD1 3.45Å; K297-D301 VanDerWaalsContact CE-OD2 3.28Å; K297-D301 WeakPolarHBondContact CE-OD2 3.33Å; K297-D301 WeakPolarHBondContact CG-OD2 3.33Å; K297-D301 VanDerWaalsContact O-CG 3.29Å; K297-D301 PolarHBondContact O-N 3.06Å
298	K	96.7	Very high	94.7	Very high	156 Å²	156	75.4 Å²	75.4	68%	0.678	37%	0.367	S	S	*	.	H	α-helix	trans	-58.6	-47.8	178.8	-175.7	-176.1	175.4	-172	0	112.2	G296 F300 D301 E302	G296-K298 VanDerWaalsContact C-N 3.35Å; G296-K298 PolarHBondContact O-N 3.41Å; K298-F300 VanDerWaalsContact C-N 3.33Å; K298-F300 PolarHBondContact O-N 3Å; K298-D301 PolarHBondContact O-N 3.32Å; K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.41Å; K298-E302 PolarHBondContact O-N 2.93Å
299	Y	95.6	Very high	94.4	Very high	72 Å²	72	77 Å²	77	28%	0.282	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-44.2	178	176.5	-93.5	0	0	0	111.2	E175 F178 Y295 G296 K297 E302 K303	E175-Y299 VanDerWaalsContact CD-OH 3.25Å; E175-Y299 PolarHBondContact OE1-OH 2.78Å; E175-Y299 WeakPolarHBondContact OE2-CE1 3.44Å; E175-Y299 PolarHBondContact OE2-OH 2.6Å; F178-Y299 HydrophobicContact CE2-CD1 4.17Å; F178-Y299 AromaticContact CE2-CE1 3.96Å; F178-Y299 HydrophobicContact CE2-CE1 3.96Å; F178-Y299 AromaticContact CZ-CD1 3.86Å; F178-Y299 HydrophobicContact CZ-CD1 3.86Å; F178-Y299 AromaticContact CZ-CE1 3.71Å; F178-Y299 HydrophobicContact CZ-CE1 3.71Å; Y295-Y299 AromaticContact CD1-CD1 3.79Å; Y295-Y299 HydrophobicContact CD1-CD1 3.79Å; Y295-Y299 AromaticContact CD1-CE1 3.54Å; Y295-Y299 HydrophobicContact CD1-CE1 3.54Å; Y295-Y299 HydrophobicContact CE1-CE1 4.16Å; Y295-Y299 HydrophobicContact CG-CD1 4.37Å; Y295-Y299 HydrophobicContact CG-CE1 4.48Å; Y295-Y299 WeakPolarHBondContact O-CB 3.05Å; G296-Y299 PolarHBondContact O-N 2.86Å; K297-Y299 PolarHBondContact O-N 2.81Å; Y299-E302 PolarHBondContact O-N 2.97Å; Y299-K303 HydrophobicContact CD1-CG 4.34Å; Y299-K303 HydrophobicContact CE1-CG 4.04Å; Y299-K303 VanDerWaalsContact CE2-CE 3.49Å; Y299-K303 WeakPolarHBondContact O-CG 3.36Å; Y299-K303 PolarHBondContact O-N 3.27Å; Y299-K303 VanDerWaalsContact O-N 3.16Å; Y299-K303 WeakPolarHBondContact OH-CE 3.5Å; Y299-K303 PolarHBondContact OH-NZ 3.33Å
300	F	95.6	Very high	94	Very high	6 Å²	6	74 Å²	74	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-56.9	-52.5	176	179.4	-90.6	0	0	0	111.4	F178 A280 M283 W284 G296 K297 K298 E302 K303 I304	F178-F300 AromaticContact CD2-CD2 3.92Å; F178-F300 HydrophobicContact CD2-CD2 3.92Å; F178-F300 HydrophobicContact CD2-CE2 4.28Å; F178-F300 AromaticContact CE2-CD2 3.96Å; F178-F300 HydrophobicContact CE2-CD2 3.96Å; A280-F300 HydrophobicContact CB-CZ 4.46Å; A280-F300 WeakPolarHBondContact O-CZ 3.4Å; M283-F300 HydrophobicContact CB-CE2 4.36Å; M283-F300 HydrophobicContact CB-CZ 4.33Å; M283-F300 HydrophobicContact CG-CE2 4.01Å; M283-F300 HydrophobicContact CG-CZ 4.46Å; M283-F300 HydrophobicContact SD-CE2 3.63Å; M283-F300 HydrophobicContact SD-CZ 4.19Å; W284-F300 HydrophobicContact CB-CE1 3.93Å; W284-F300 HydrophobicContact CB-CE2 4.4Å; W284-F300 HydrophobicContact CB-CZ 3.8Å; W284-F300 HydrophobicContact CD2-CD1 4.32Å; W284-F300 HydrophobicContact CD2-CE1 4.46Å; W284-F300 HydrophobicContact CD2-CG 4.5Å; W284-F300 HydrophobicContact CE3-CB 3.85Å; W284-F300 AromaticContact CE3-CD1 3.62Å; W284-F300 HydrophobicContact CE3-CD1 3.62Å; W284-F300 AromaticContact CE3-CD2 3.64Å; W284-F300 HydrophobicContact CE3-CD2 3.64Å; W284-F300 HydrophobicContact CE3-CE1 4.03Å; W284-F300 HydrophobicContact CE3-CE2 4.04Å; W284-F300 AromaticContact CE3-CG 3.41Å; W284-F300 HydrophobicContact CE3-CG 3.41Å; W284-F300 VanDerWaalsContact CE3-CG 3.41Å; W284-F300 HydrophobicContact CE3-CZ 4.23Å; W284-F300 HydrophobicContact CG-CE1 4.45Å; W284-F300 HydrophobicContact CZ3-CB 3.6Å; W284-F300 HydrophobicContact CZ3-CD1 4.23Å; W284-F300 HydrophobicContact CZ3-CD2 4.1Å; W284-F300 AromaticContact CZ3-CG 3.72Å; W284-F300 HydrophobicContact CZ3-CG 3.72Å; G296-F300 PolarHBondContact O-N 3.4Å; K297-F300 HydrophobicContact CD-CD1 4.23Å; K297-F300 WeakPolarHBondContact O-CB 3.38Å; K297-F300 PolarHBondContact O-N 2.96Å; K298-F300 VanDerWaalsContact C-N 3.33Å; K298-F300 PolarHBondContact O-N 3Å; F300-E302 VanDerWaalsContact C-N 3.31Å; F300-E302 PolarHBondContact O-N 3.49Å; F300-K303 WeakPolarHBondContact O-CA 3.43Å; F300-K303 WeakPolarHBondContact O-CB 3.41Å; F300-K303 PolarHBondContact O-N 3.11Å; F300-I304 HydrophobicContact CD1-CG1 3.91Å; F300-I304 HydrophobicContact CE1-CD1 3.88Å; F300-I304 HydrophobicContact CE1-CG1 3.54Å; F300-I304 HydrophobicContact CE2-CD1 4.26Å; F300-I304 HydrophobicContact CZ-CD1 3.74Å; F300-I304 HydrophobicContact CZ-CG1 3.96Å; F300-I304 WeakPolarHBondContact O-CG1 3.47Å; F300-I304 PolarHBondContact O-N 3.49Å
301	D	95.3	Very high	93.4	Very high	74 Å²	74	70.9 Å²	70.9	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-38.6	-178.5	-67.2	-22.1	0	0	0	112	K297 K298 K303 I304 A305	K297-D301 WeakPolarHBondContact CD-OD1 3.39Å; K297-D301 VanDerWaalsContact CE-CG 3.42Å; K297-D301 WeakPolarHBondContact CE-OD1 3.45Å; K297-D301 VanDerWaalsContact CE-OD2 3.28Å; K297-D301 WeakPolarHBondContact CE-OD2 3.33Å; K297-D301 WeakPolarHBondContact CG-OD2 3.33Å; K297-D301 VanDerWaalsContact O-CG 3.29Å; K297-D301 PolarHBondContact O-N 3.06Å; K298-D301 PolarHBondContact O-N 3.32Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 PolarHBondContact O-N 3Å; D301-I304 PolarHBondContact O-N 3.49Å; D301-A305 PolarHBondContact O-N 3.45Å
302	E	95	Very high	92.8	Very high	91 Å²	91	74.8 Å²	74.8	43%	0.425	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-35	173.6	-74.3	175.4	-168.8	0	0	112.7	K298 Y299 F300 K306	K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.41Å; K298-E302 PolarHBondContact O-N 2.93Å; Y299-E302 PolarHBondContact O-N 2.97Å; F300-E302 VanDerWaalsContact C-N 3.31Å; F300-E302 PolarHBondContact O-N 3.49Å; E302-K306 WeakPolarHBondContact O-CG 3.19Å; E302-K306 PolarHBondContact O-N 2.93Å
303	K	93.7	Very high	92.4	Very high	62 Å²	62	72.9 Å²	72.9	27%	0.27	37%	0.367	S	S	.	.	H	α-helix	trans	-72.3	-37.4	175.6	-63.2	-68.4	169.2	132.6	0	111.8	E175 Y299 F300 D301 K306 M307	E175-K303 WeakPolarHBondContact OE1-CD 3.4Å; E175-K303 WeakPolarHBondContact OE1-CE 3.28Å; E175-K303 IonicContact OE1-NZ 3.11Å; E175-K303 PolarHBondContact OE1-NZ 3.03Å; Y299-K303 HydrophobicContact CD1-CG 4.34Å; Y299-K303 HydrophobicContact CE1-CG 4.04Å; Y299-K303 VanDerWaalsContact CE2-CE 3.49Å; Y299-K303 WeakPolarHBondContact O-CG 3.36Å; Y299-K303 PolarHBondContact O-N 3.27Å; Y299-K303 VanDerWaalsContact O-N 3.16Å; Y299-K303 WeakPolarHBondContact OH-CE 3.5Å; Y299-K303 PolarHBondContact OH-NZ 3.33Å; F300-K303 WeakPolarHBondContact O-CA 3.43Å; F300-K303 WeakPolarHBondContact O-CB 3.41Å; F300-K303 PolarHBondContact O-N 3.11Å; D301-K303 VanDerWaalsContact C-N 3.29Å; D301-K303 PolarHBondContact O-N 3Å; K303-K306 PolarHBondContact O-N 2.99Å; K303-M307 PolarHBondContact O-N 2.83Å; K303-M307 VanDerWaalsContact O-N 3.16Å
304	I	93.6	Very high	92	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.056	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-47	174.8	-55.3	-50.9	0	0	0	110.6	F173 I276 A280 F300 D301 K306 M307 E308	F173-I304 HydrophobicContact CE2-CD1 3.67Å; F173-I304 HydrophobicContact CZ-CD1 4.42Å; I276-I304 HydrophobicContact CG2-CG2 4.41Å; A280-I304 HydrophobicContact CB-CD1 3.64Å; A280-I304 HydrophobicContact CB-CG1 3.93Å; A280-I304 HydrophobicContact CB-CG2 3.91Å; F300-I304 HydrophobicContact CD1-CG1 3.91Å; F300-I304 HydrophobicContact CE1-CD1 3.88Å; F300-I304 HydrophobicContact CE1-CG1 3.54Å; F300-I304 HydrophobicContact CE2-CD1 4.26Å; F300-I304 HydrophobicContact CZ-CD1 3.74Å; F300-I304 HydrophobicContact CZ-CG1 3.96Å; F300-I304 WeakPolarHBondContact O-CG1 3.47Å; F300-I304 PolarHBondContact O-N 3.49Å; D301-I304 PolarHBondContact O-N 3.49Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 3.28Å; I304-M307 WeakPolarHBondContact O-CA 3.47Å; I304-M307 WeakPolarHBondContact O-CB 3.15Å; I304-M307 PolarHBondContact O-N 2.95Å; I304-E308 HydrophobicContact CG2-CG 4.49Å; I304-E308 PolarHBondContact O-N 3.12Å
305	A	92.8	Very high	91.7	Very high	43 Å²	43	64.2 Å²	64.2	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-37.8	178.3	0	0	0	0	0	112.9	D301 M307 E308 T309	D301-A305 PolarHBondContact O-N 3.45Å; A305-M307 VanDerWaalsContact C-N 3.33Å; A305-M307 PolarHBondContact O-N 3.44Å; A305-E308 PolarHBondContact O-N 3.31Å; A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 PolarHBondContact O-OG1 2.86Å
306	K	91.1	Very high	91.5	Very high	135 Å²	135	65.5 Å²	65.5	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-39	172.7	-75.8	173.2	-178.6	172.5	0	112	E302 K303 I304 T309 Y310	E302-K306 WeakPolarHBondContact O-CG 3.19Å; E302-K306 PolarHBondContact O-N 2.93Å; K303-K306 PolarHBondContact O-N 2.99Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 3.28Å; K306-T309 PolarHBondContact O-N 3.25Å; K306-Y310 WeakPolarHBondContact O-CB 3.27Å; K306-Y310 PolarHBondContact O-N 3.31Å
307	M	90.6	Very high	91.4	Very high	17 Å²	17	68.2 Å²	68.2	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-68.9	-39.9	178	-172.6	63.5	-158.1	0	0	112.2	F173 Y271 K303 I304 A305 T309 Y310 C311	F173-M307 HydrophobicContact CB-CE 4.25Å; F173-M307 HydrophobicContact CB-CG 4.28Å; F173-M307 HydrophobicContact CB-SD 3.86Å; F173-M307 HydrophobicContact CD1-CE 3.88Å; F173-M307 HydrophobicContact CD1-CG 3.67Å; F173-M307 HydrophobicContact CD1-SD 4.11Å; F173-M307 HydrophobicContact CD2-CB 4.22Å; F173-M307 HydrophobicContact CD2-CG 3.77Å; F173-M307 HydrophobicContact CD2-SD 4.43Å; F173-M307 HydrophobicContact CE1-CG 3.88Å; F173-M307 HydrophobicContact CE2-CB 4.27Å; F173-M307 HydrophobicContact CE2-CG 3.98Å; F173-M307 HydrophobicContact CG-CE 4.21Å; F173-M307 HydrophobicContact CG-CG 3.62Å; F173-M307 HydrophobicContact CG-SD 3.87Å; F173-M307 HydrophobicContact CZ-CG 4.04Å; Y271-M307 HydrophobicContact CD1-CE 4.42Å; Y271-M307 HydrophobicContact CD2-CE 3.39Å; Y271-M307 HydrophobicContact CE1-CE 4.18Å; Y271-M307 HydrophobicContact CE2-CE 3.13Å; Y271-M307 HydrophobicContact CG-CE 4.09Å; K303-M307 PolarHBondContact O-N 2.83Å; K303-M307 VanDerWaalsContact O-N 3.16Å; I304-M307 WeakPolarHBondContact O-CA 3.47Å; I304-M307 WeakPolarHBondContact O-CB 3.15Å; I304-M307 PolarHBondContact O-N 2.95Å; A305-M307 VanDerWaalsContact C-N 3.33Å; A305-M307 PolarHBondContact O-N 3.44Å; M307-T309 VanDerWaalsContact C-N 3.33Å; M307-T309 PolarHBondContact O-N 3.21Å; M307-Y310 HydrophobicContact CE-CD1 4Å; M307-Y310 WeakPolarHBondContact O-CB 3.43Å; M307-Y310 PolarHBondContact O-N 3.27Å; M307-Y310 VanDerWaalsContact O-N 3.15Å; M307-Y310 HydrophobicContact SD-CD1 4.15Å; M307-C311 PolarHBondContact O-N 3.37Å
308	E	89.6	Confident	91.3	Very high	75 Å²	75	64.9 Å²	64.9	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-42.9	173.1	-68.6	168.7	-177.1	0	0	111.5	I276 Q277 I304 A305 Y310 C311	I276-E308 HydrophobicContact CG2-CG 3.89Å; Q277-E308 PolarHBondContact NE2-OE1 2.98Å; I304-E308 HydrophobicContact CG2-CG 4.49Å; I304-E308 PolarHBondContact O-N 3.12Å; A305-E308 PolarHBondContact O-N 3.31Å; E308-Y310 VanDerWaalsContact C-N 3.3Å; E308-Y310 PolarHBondContact O-N 2.7Å; E308-C311 PolarHBondContact O-N 2.72Å; E308-C311 PolarHBondContact O-SG 2.84Å
309	T	88.9	Confident	91.3	Very high	102 Å²	102	60 Å²	60	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-37.4	175.1	-53.3	0	0	0	0	111.1	A305 K306 M307 C311 S312	A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 PolarHBondContact O-OG1 2.86Å; K306-T309 PolarHBondContact O-N 3.25Å; M307-T309 VanDerWaalsContact C-N 3.33Å; M307-T309 PolarHBondContact O-N 3.21Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.32Å; T309-S312 PolarHBondContact O-OG 3.39Å; T309-S312 VanDerWaalsContact O-OG 3.14Å
310	Y	86.9	Confident	91.4	Very high	65 Å²	65	59.1 Å²	59.1	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-32.7	178.4	179.6	-97.6	0	0	0	112.8	N263 I265 K306 M307 E308 S312 S313	N263-Y310 PolarHBondContact OD1-OH 3Å; I265-Y310 HydrophobicContact CB-CE1 4.3Å; I265-Y310 HydrophobicContact CG1-CE1 4.5Å; I265-Y310 HydrophobicContact CG2-CD1 4.27Å; I265-Y310 HydrophobicContact CG2-CE1 3.96Å; I265-Y310 WeakPolarHBondContact CG2-O 3.44Å; K306-Y310 WeakPolarHBondContact O-CB 3.27Å; K306-Y310 PolarHBondContact O-N 3.31Å; M307-Y310 HydrophobicContact CE-CD1 4Å; M307-Y310 WeakPolarHBondContact O-CB 3.43Å; M307-Y310 PolarHBondContact O-N 3.27Å; M307-Y310 VanDerWaalsContact O-N 3.15Å; M307-Y310 HydrophobicContact SD-CD1 4.15Å; E308-Y310 VanDerWaalsContact C-N 3.3Å; E308-Y310 PolarHBondContact O-N 2.7Å; Y310-S312 PolarHBondContact O-N 3.15Å; Y310-S313 WeakPolarHBondContact CD2-OG 3.15Å; Y310-S313 VanDerWaalsContact O-CB 3.24Å; Y310-S313 WeakPolarHBondContact O-CB 3.32Å; Y310-S313 PolarHBondContact O-N 2.83Å; Y310-S313 PolarHBondContact O-OG 2.94Å
311	C	85.4	Confident	91.5	Very high	23 Å²	23	58.9 Å²	58.9	16%	0.155	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-22.1	-173.9	80.9	0	0	0	0	114	I276 M307 E308 T309	I276-C311 HydrophobicContact CD1-CB 3.49Å; I276-C311 VanDerWaalsContact CD1-CB 3.49Å; I276-C311 VanDerWaalsContact CD1-SG 3.59Å; M307-C311 PolarHBondContact O-N 3.37Å; E308-C311 PolarHBondContact O-N 2.72Å; E308-C311 PolarHBondContact O-SG 2.84Å; T309-C311 VanDerWaalsContact C-N 3.34Å; T309-C311 PolarHBondContact O-N 3.32Å
312	S	83.9	Confident	91.6	Very high	93 Å²	93	55.9 Å²	55.9	65%	0.65	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.7	172.4	58	0	0	0	0	113.3	T309 Y310	T309-S312 PolarHBondContact O-OG 3.39Å; T309-S312 VanDerWaalsContact O-OG 3.14Å; Y310-S312 PolarHBondContact O-N 3.15Å
313	S	86.1	Confident	91.7	Very high	38 Å²	38	56 Å²	56	27%	0.266	33%	0.329	S	S	.	.			trans	-87.1	170.2	177.9	81	0	0	0	0	112.8	N263 I265 A266 Y310	N263-S313 PolarHBondContact ND2-OG 3.35Å; I265-S313 WeakPolarHBondContact CG2-O 3.34Å; A266-S313 VanDerWaalsContact CB-O 3.24Å; A266-S313 WeakPolarHBondContact CB-O 3.27Å; A266-S313 PolarHBondContact N-O 2.7Å; A266-S313 VanDerWaalsContact N-O 3.14Å; Y310-S313 WeakPolarHBondContact CD2-OG 3.15Å; Y310-S313 VanDerWaalsContact O-CB 3.24Å; Y310-S313 WeakPolarHBondContact O-CB 3.32Å; Y310-S313 PolarHBondContact O-N 2.83Å; Y310-S313 PolarHBondContact O-OG 2.94Å
314	G	87.5	Confident	92	Very high	39 Å²	39	53.5 Å²	53.5	40%	0.402	32%	0.321	S	S	.	.	S	Bend	trans	91.9	178.6	173.9	0	0	0	0	0	114	N263	N263-G314 WeakPolarHBondContact ND2-CA 3.2Å; N263-G314 WeakPolarHBondContact O-CA 3.35Å
315	S	90.4	Very high	92.2	Very high	46 Å²	46	53.1 Å²	53.1	32%	0.322	32%	0.319	S	S	.	.			trans	-74.3	136.8	-177.9	-174.7	0	0	0	0	111.2	N263 A267 D317	N263-S315 PolarHBondContact O-N 2.7Å; A267-S315 WeakPolarHBondContact CB-O 3.38Å; S315-D317 PolarHBondContact OG-N 3.09Å; S315-D317 PolarHBondContact OG-O 2.92Å; S315-D317 VanDerWaalsContact OG-O 3.13Å
316	T	91.3	Very high	92.4	Very high	110 Å²	110	51.7 Å²	51.7	68%	0.675	31%	0.306	S	S	*	.			trans	-89.8	-23.5	167.5	52.5	0	0	0	0	112.4	A266 T318	A266-T316 HydrophobicContact CB-CG2 4.02Å; T316-T318 PolarHBondContact O-N 3.28Å
317	D	93.4	Very high	92.7	Very high	80 Å²	80	48.5 Å²	48.5	43%	0.428	29%	0.293	S	S	.	.			trans	-76.2	115.1	176	176.4	21.6	0	0	0	110.2	F264 S315 S319	F264-D317 WeakPolarHBondContact CE1-O 3.36Å; S315-D317 PolarHBondContact OG-N 3.09Å; S315-D317 PolarHBondContact OG-O 2.92Å; S315-D317 VanDerWaalsContact OG-O 3.13Å; D317-S319 WeakPolarHBondContact OD1-CB 3.48Å; D317-S319 PolarHBondContact OD1-N 3.32Å; D317-S319 PolarHBondContact OD1-OG 2.88Å
318	T	94.8	Very high	93.1	Very high	24 Å²	24	47.7 Å²	47.7	15%	0.147	29%	0.289	C	S	.	.			trans	-89.7	-9.6	179.3	62.3	0	0	0	0	113.4	F90 A267 T316 P320 V321 I322	F90-T318 HydrophobicContact CD1-CG2 3.88Å; F90-T318 HydrophobicContact CE1-CG2 3.77Å; A267-T318 HydrophobicContact CB-CG2 3.61Å; T316-T318 PolarHBondContact O-N 3.28Å; T318-P320 VanDerWaalsContact C-N 3.32Å; T318-V321 WeakPolarHBondContact O-CB 3.4Å; T318-V321 PolarHBondContact O-N 2.97Å; T318-I322 PolarHBondContact O-N 3.39Å
319	S	95.8	Very high	93.4	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-52	-41.5	-173.8	-47.8	0	0	0	0	113.5	D317 V321 I322 D323	D317-S319 WeakPolarHBondContact OD1-CB 3.48Å; D317-S319 PolarHBondContact OD1-N 3.32Å; D317-S319 PolarHBondContact OD1-OG 2.88Å; S319-V321 PolarHBondContact O-N 3.16Å; S319-I322 PolarHBondContact O-N 3.23Å; S319-I322 VanDerWaalsContact O-N 3.13Å; S319-D323 WeakPolarHBondContact O-CB 2.98Å; S319-D323 VanDerWaalsContact O-CG 3.29Å; S319-D323 PolarHBondContact O-N 3.16Å
320	P	97.2	Very high	93.8	Very high	53 Å²	53	40.4 Å²	40.4	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-35.3	177.8	-26.4	35.8	0	0	0	113.9	T318 A324 P340	T318-P320 VanDerWaalsContact C-N 3.32Å; P320-A324 VanDerWaalsContact O-CB 3.31Å; P320-A324 WeakPolarHBondContact O-CB 3.36Å; P320-A324 PolarHBondContact O-N 3.45Å; P320-A324 VanDerWaalsContact O-N 3.16Å; P320-P340 HydrophobicContact CB-CB 3.88Å; P320-P340 WeakPolarHBondContact O-CB 3.25Å
321	V	97.7	Very high	94.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-74.4	-44.5	177.5	-178.5	0	0	0	0	110.1	F90 V259 P261 F264 T318 S319 D323 A324 V325 P340	F90-V321 HydrophobicContact CD1-CB 4.17Å; F90-V321 HydrophobicContact CD1-CG1 4.08Å; F90-V321 HydrophobicContact CD1-CG2 4.44Å; F90-V321 HydrophobicContact CD2-CG1 4.17Å; F90-V321 HydrophobicContact CE1-CB 3.97Å; F90-V321 HydrophobicContact CE1-CG1 4.18Å; F90-V321 HydrophobicContact CE1-CG2 3.75Å; F90-V321 HydrophobicContact CE2-CG1 4.27Å; F90-V321 HydrophobicContact CE2-CG2 4.37Å; F90-V321 HydrophobicContact CG-CG1 4.08Å; F90-V321 HydrophobicContact CZ-CB 4.28Å; F90-V321 HydrophobicContact CZ-CG1 4.27Å; F90-V321 HydrophobicContact CZ-CG2 3.71Å; V259-V321 HydrophobicContact CG1-CG1 4.4Å; P261-V321 HydrophobicContact CB-CG2 4.12Å; P261-V321 HydrophobicContact CG-CG1 4.28Å; P261-V321 HydrophobicContact CG-CG2 4.12Å; F264-V321 HydrophobicContact CD1-CG2 4.41Å; F264-V321 HydrophobicContact CD2-CG2 4.42Å; F264-V321 HydrophobicContact CE1-CG2 3.98Å; F264-V321 HydrophobicContact CE2-CG2 4.04Å; F264-V321 HydrophobicContact CZ-CG2 3.79Å; T318-V321 WeakPolarHBondContact O-CB 3.4Å; T318-V321 PolarHBondContact O-N 2.97Å; S319-V321 PolarHBondContact O-N 3.16Å; V321-D323 PolarHBondContact O-N 3.41Å; V321-A324 PolarHBondContact O-N 2.67Å; V321-V325 WeakPolarHBondContact O-CG2 3.44Å; V321-V325 PolarHBondContact O-N 2.94Å; V321-P340 HydrophobicContact CB-CG 4.41Å; V321-P340 HydrophobicContact CG2-CB 3.91Å; V321-P340 HydrophobicContact CG2-CG 3.81Å
322	I	98.1	Very high	94.5	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-43.7	178.6	-56.1	-51.9	0	0	0	111.2	L94 H97 T318 S319 V325 T326	L94-I322 HydrophobicContact CB-CD1 3.75Å; L94-I322 HydrophobicContact CD1-CD1 4.28Å; L94-I322 HydrophobicContact CD1-CG2 4.12Å; H97-I322 HydrophobicContact CB-CG2 3.65Å; H97-I322 VanDerWaalsContact CG-CG2 3.42Å; T318-I322 PolarHBondContact O-N 3.39Å; S319-I322 PolarHBondContact O-N 3.23Å; S319-I322 VanDerWaalsContact O-N 3.13Å; I322-V325 PolarHBondContact O-N 3.22Å; I322-T326 VanDerWaalsContact O-CB 3.28Å; I322-T326 WeakPolarHBondContact O-CB 3.46Å; I322-T326 PolarHBondContact O-N 3.37Å; I322-T326 PolarHBondContact O-OG1 3.14Å
323	D	97.6	Very high	94.9	Very high	93 Å²	93	38.2 Å²	38.2	50%	0.497	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-40.2	177.5	-71.8	-19.5	0	0	0	111.7	S319 V321 T326 H327	S319-D323 WeakPolarHBondContact O-CB 2.98Å; S319-D323 VanDerWaalsContact O-CG 3.29Å; S319-D323 PolarHBondContact O-N 3.16Å; V321-D323 PolarHBondContact O-N 3.41Å; D323-T326 PolarHBondContact O-N 3.35Å; D323-H327 VanDerWaalsContact O-CB 3.31Å; D323-H327 WeakPolarHBondContact O-CB 3.3Å; D323-H327 PolarHBondContact O-N 2.79Å
324	A	98.4	Very high	95.4	Very high	11 Å²	11	37.5 Å²	37.5	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-46.9	176	0	0	0	0	0	111.8	V259 P320 V321 H327 A328 Y338 P340	V259-A324 HydrophobicContact CG1-CB 4.15Å; P320-A324 VanDerWaalsContact O-CB 3.31Å; P320-A324 WeakPolarHBondContact O-CB 3.36Å; P320-A324 PolarHBondContact O-N 3.45Å; P320-A324 VanDerWaalsContact O-N 3.16Å; V321-A324 PolarHBondContact O-N 2.67Å; A324-H327 PolarHBondContact O-N 2.98Å; A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 3.25Å; A324-Y338 HydrophobicContact CB-CD1 3.81Å; A324-Y338 HydrophobicContact CB-CG 4Å; A324-P340 HydrophobicContact CB-CG 4.36Å
325	V	98.5	Very high	95.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-43	177.1	178.5	0	0	0	0	110.8	L94 V165 V214 I216 V259 V321 I322 H327 A328 L329	L94-V325 HydrophobicContact CD1-CB 4.01Å; L94-V325 HydrophobicContact CD1-CG1 3.85Å; L94-V325 HydrophobicContact CD2-CB 4.25Å; L94-V325 HydrophobicContact CD2-CG1 3.6Å; L94-V325 HydrophobicContact CD2-CG2 4.47Å; L94-V325 HydrophobicContact CG-CG1 4.38Å; V165-V325 HydrophobicContact CG1-CG1 4.09Å; V165-V325 HydrophobicContact CG2-CG1 3.94Å; V214-V325 HydrophobicContact CG1-CG1 4.2Å; V214-V325 HydrophobicContact CG1-CG2 4.25Å; I216-V325 HydrophobicContact CD1-CG2 3.67Å; V259-V325 HydrophobicContact CG2-CG2 3.99Å; V321-V325 WeakPolarHBondContact O-CG2 3.44Å; V321-V325 PolarHBondContact O-N 2.94Å; I322-V325 PolarHBondContact O-N 3.22Å; V325-H327 VanDerWaalsContact C-N 3.35Å; V325-H327 PolarHBondContact O-N 3.37Å; V325-A328 WeakPolarHBondContact O-CB 3.48Å; V325-A328 PolarHBondContact O-N 3.37Å; V325-A328 VanDerWaalsContact O-N 3.14Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 WeakPolarHBondContact O-CG 3.22Å; V325-L329 PolarHBondContact O-N 2.95Å
326	T	97.6	Very high	96.2	Very high	14 Å²	14	43 Å²	43	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-43.9	178.3	-60.3	0	0	0	0	111.2	H97 I322 D323 L329 T330	H97-T326 PolarHBondContact CD2-OG1 2.63Å; H97-T326 VanDerWaalsContact CD2-OG1 3.29Å; H97-T326 PolarHBondContact NE2-OG1 3.34Å; I322-T326 VanDerWaalsContact O-CB 3.28Å; I322-T326 WeakPolarHBondContact O-CB 3.46Å; I322-T326 PolarHBondContact O-N 3.37Å; I322-T326 PolarHBondContact O-OG1 3.14Å; D323-T326 PolarHBondContact O-N 3.35Å; T326-L329 PolarHBondContact O-N 3.44Å; T326-T330 HydrophobicContact CG2-CG2 4.39Å; T326-T330 WeakPolarHBondContact O-CB 3.41Å; T326-T330 WeakPolarHBondContact O-CG2 3.43Å; T326-T330 PolarHBondContact O-N 3.04Å; T326-T330 PolarHBondContact O-OG1 3.46Å
327	H	97.6	Very high	96.5	Very high	67 Å²	67	40.4 Å²	40.4	31%	0.31	22%	0.221	S	C	.	.	H	α-helix	trans	-63.7	-40.8	174.2	-176.7	-81.5	0	0	0	111.6	D323 A324 V325 L329 T330 A331 Y335 Y338	D323-H327 VanDerWaalsContact O-CB 3.31Å; D323-H327 WeakPolarHBondContact O-CB 3.3Å; D323-H327 PolarHBondContact O-N 2.79Å; A324-H327 PolarHBondContact O-N 2.98Å; V325-H327 VanDerWaalsContact C-N 3.35Å; V325-H327 PolarHBondContact O-N 3.37Å; H327-L329 PolarHBondContact O-N 2.91Å; H327-T330 PolarHBondContact O-N 3.48Å; H327-A331 WeakPolarHBondContact O-CB 3.47Å; H327-A331 PolarHBondContact O-N 2.9Å; H327-Y335 AromaticContact CE1-CD2 3.92Å; H327-Y335 AromaticContact CE1-CE2 3.68Å; H327-Y338 HydrophobicContact CB-CE1 4.07Å; H327-Y338 AromaticContact CG-CE1 3.99Å; H327-Y338 AromaticContact ND1-CE1 3.39Å; H327-Y338 WeakPolarHBondContact ND1-CE1 3.33Å; H327-Y338 AromaticContact ND1-CZ 3.51Å; H327-Y338 PolarHBondContact ND1-OH 3.34Å
328	A	98.1	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-34.9	175.6	0	0	0	0	0	112.8	V214 A324 V325 Y338	V214-A328 HydrophobicContact CG1-CB 4.36Å; V214-A328 HydrophobicContact CG2-CB 3.77Å; A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 3.25Å; V325-A328 WeakPolarHBondContact O-CB 3.48Å; V325-A328 PolarHBondContact O-N 3.37Å; V325-A328 VanDerWaalsContact O-N 3.14Å; A328-Y338 WeakPolarHBondContact CA-OH 3.19Å; A328-Y338 HydrophobicContact CB-CE2 3.72Å; A328-Y338 PolarHBondContact N-OH 3.23Å
329	L	97.1	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-80.1	-31.4	179.1	-69.6	171.9	0	0	0	113.7	V81 L98 F103 W162 V165 R212 V214 V325 T326 H327	V81-L329 HydrophobicContact CG1-CD1 4.24Å; V81-L329 HydrophobicContact CG2-CD1 4.47Å; L98-L329 HydrophobicContact CD1-CD1 3.79Å; L98-L329 HydrophobicContact CD2-CD1 3.75Å; L98-L329 HydrophobicContact CG-CD1 4.45Å; F103-L329 HydrophobicContact CZ-CB 4.36Å; W162-L329 PolarHBondContact NE1-O 3.1Å; V165-L329 HydrophobicContact CG2-CD1 4.1Å; V165-L329 HydrophobicContact CG2-CD2 4.4Å; R212-L329 HydrophobicContact CB-CD2 3.84Å; R212-L329 HydrophobicContact CG-CD2 4.38Å; V214-L329 HydrophobicContact CG2-CD2 3.99Å; V214-L329 HydrophobicContact CG2-CG 4.23Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 WeakPolarHBondContact O-CG 3.22Å; V325-L329 PolarHBondContact O-N 2.95Å; T326-L329 PolarHBondContact O-N 3.44Å; H327-L329 PolarHBondContact O-N 2.91Å
330	T	95.7	Very high	96.9	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	19%	0.193	C	C	.	.	H	α-helix	trans	-107.2	-26.1	-169.6	57	0	0	0	0	113.9	A72 V73 F103 T326 H327 T332	A72-T330 CarbonylContact C-O 3.1Å; V73-T330 WeakPolarHBondContact CB-O 3.47Å; V73-T330 PolarHBondContact N-O 2.64Å; F103-T330 HydrophobicContact CE2-CG2 4.06Å; F103-T330 HydrophobicContact CZ-CG2 3.82Å; T326-T330 HydrophobicContact CG2-CG2 4.39Å; T326-T330 WeakPolarHBondContact O-CB 3.41Å; T326-T330 WeakPolarHBondContact O-CG2 3.43Å; T326-T330 PolarHBondContact O-N 3.04Å; T326-T330 PolarHBondContact O-OG1 3.46Å; H327-T330 PolarHBondContact O-N 3.48Å; T330-T332 PolarHBondContact O-N 2.85Å
331	A	95.1	Very high	96.7	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-64.7	139.2	-179.6	0	0	0	0	0	111.4	R212 H327 T333 P334	R212-A331 PolarHBondContact NH2-O 2.83Å; H327-A331 WeakPolarHBondContact O-CB 3.47Å; H327-A331 PolarHBondContact O-N 2.9Å; A331-T333 PolarHBondContact O-N 3.24Å; A331-P334 HydrophobicContact CB-CB 4.25Å; A331-P334 WeakPolarHBondContact O-CD 3.23Å
332	T	91.6	Very high	96.5	Very high	61 Å²	61	39.1 Å²	39.1	37%	0.374	20%	0.203	S	C	.	.	S	Bend	trans	-60.5	-37.3	168.2	41.8	0	0	0	0	111.6	A70 G71 V73 T330	A70-T332 WeakPolarHBondContact CB-OG1 3.49Å; G71-T332 PolarHBondContact N-OG1 3.28Å; G71-T332 VanDerWaalsContact O-CB 3.24Å; G71-T332 WeakPolarHBondContact O-CB 2.97Å; G71-T332 WeakPolarHBondContact O-CG2 3.24Å; G71-T332 PolarHBondContact O-N 3.45Å; G71-T332 PolarHBondContact O-OG1 3.47Å; V73-T332 HydrophobicContact CG2-CG2 4.18Å; T330-T332 PolarHBondContact O-N 2.85Å
333	T	93.3	Very high	96.2	Very high	69 Å²	69	46.2 Å²	46.2	42%	0.423	23%	0.231	S	C	.	.	S	Bend	trans	-127.7	76.4	177.8	51.3	0	0	0	0	110.7	A331	A331-T333 PolarHBondContact O-N 3.24Å
334	P	96.8	Very high	95.9	Very high	22 Å²	22	47.9 Å²	47.9	14%	0.143	23%	0.231	C	C	.	.			trans	-65.9	152.4	-179.5	29.9	-34.6	0	0	0	110.9	K255 A331 Y338	K255-P334 HydrophobicContact CB-CG 3.77Å; K255-P334 HydrophobicContact CG-CG 4.08Å; A331-P334 HydrophobicContact CB-CB 4.25Å; A331-P334 WeakPolarHBondContact O-CD 3.23Å; P334-Y338 WeakPolarHBondContact CB-OH 3.07Å
335	Y	97.7	Very high	95.6	Very high	130 Å²	130	48.7 Å²	48.7	51%	0.51	23%	0.231	S	C	.	.			trans	-66.5	151.6	170.1	-55.6	-64.8	0	0	0	110.5	S257 H327 R337 Y338	S257-Y335 PolarHBondContact OG-O 3.31Å; H327-Y335 AromaticContact CE1-CD2 3.92Å; H327-Y335 AromaticContact CE1-CE2 3.68Å; Y335-R337 VanDerWaalsContact C-N 3.28Å; Y335-Y338 HydrophobicContact CD2-CD1 4.13Å; Y335-Y338 AromaticContact CD2-CE1 3.52Å; Y335-Y338 HydrophobicContact CD2-CE1 3.52Å; Y335-Y338 AromaticContact CD2-CZ 3.77Å; Y335-Y338 HydrophobicContact CE2-CE1 4.34Å; Y335-Y338 HydrophobicContact CG-CE1 4.42Å; Y335-Y338 PolarHBondContact N-OH 3.15Å; Y335-Y338 VanDerWaalsContact O-CE2 3.29Å; Y335-Y338 WeakPolarHBondContact O-CE2 3.2Å
336	T	97.4	Very high	95.4	Very high	70 Å²	70	51.9 Å²	51.9	43%	0.429	24%	0.244	S	C	.	.	S	Bend	trans	-71.6	-28.5	172.8	55.7	0	0	0	0	112	V258	V258-T336 PolarHBondContact N-O 3.15Å
337	R	97.8	Very high	95.2	Very high	56 Å²	56	54.4 Å²	54.4	21%	0.211	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.6	-178.6	-73.3	-179.4	165.1	87.6	-0.8	112	E239 D243 V258 E260 Y335	E239-R337 IonicContact OE2-CZ 3.77Å; E239-R337 IonicContact OE2-NE 3.29Å; E239-R337 PolarHBondContact OE2-NE 3.48Å; E239-R337 IonicContact OE2-NH2 3.82Å; E239-R337 PolarHBondContact OE2-NH2 3.27Å; D243-R337 IonicContact OD1-CZ 3.48Å; D243-R337 IonicContact OD1-NH1 3.61Å; D243-R337 PolarHBondContact OD1-NH1 3.38Å; D243-R337 IonicContact OD1-NH2 2.75Å; D243-R337 IonicContact OD2-CZ 3.19Å; D243-R337 IonicContact OD2-NH1 2.87Å; D243-R337 PolarHBondContact OD2-NH1 2.94Å; D243-R337 IonicContact OD2-NH2 3.46Å; D243-R337 PolarHBondContact OD2-NH2 3.38Å; V258-R337 HydrophobicContact CB-CG 4.32Å; V258-R337 CarbonylContact O-C 3.58Å; V258-R337 VanDerWaalsContact O-CA 3.29Å; V258-R337 WeakPolarHBondContact O-CA 3.42Å; E260-R337 WeakPolarHBondContact OE1-CD 3.24Å; E260-R337 IonicContact OE1-NE 2.67Å; E260-R337 PolarHBondContact OE1-NE 3.47Å; Y335-R337 VanDerWaalsContact C-N 3.28Å
338	Y	98.3	Very high	94.9	Very high	19 Å²	19	53 Å²	53	8%	0.075	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.6	174	-62.4	-103.8	0	0	0	109.2	V258 V259 E260 A324 H327 A328 P334 Y335 P340	V258-Y338 PolarHBondContact O-N 3.45Å; V259-Y338 HydrophobicContact CG2-CD2 4.28Å; V259-Y338 HydrophobicContact CG2-CG 4.49Å; E260-Y338 PolarHBondContact N-O 3.44Å; A324-Y338 HydrophobicContact CB-CD1 3.81Å; A324-Y338 HydrophobicContact CB-CG 4Å; H327-Y338 HydrophobicContact CB-CE1 4.07Å; H327-Y338 AromaticContact CG-CE1 3.99Å; H327-Y338 AromaticContact ND1-CE1 3.39Å; H327-Y338 WeakPolarHBondContact ND1-CE1 3.33Å; H327-Y338 AromaticContact ND1-CZ 3.51Å; H327-Y338 PolarHBondContact ND1-OH 3.34Å; A328-Y338 WeakPolarHBondContact CA-OH 3.19Å; A328-Y338 HydrophobicContact CB-CE2 3.72Å; A328-Y338 PolarHBondContact N-OH 3.23Å; P334-Y338 WeakPolarHBondContact CB-OH 3.07Å; Y335-Y338 HydrophobicContact CD2-CD1 4.13Å; Y335-Y338 AromaticContact CD2-CE1 3.52Å; Y335-Y338 HydrophobicContact CD2-CE1 3.52Å; Y335-Y338 AromaticContact CD2-CZ 3.77Å; Y335-Y338 HydrophobicContact CE2-CE1 4.34Å; Y335-Y338 HydrophobicContact CG-CE1 4.42Å; Y335-Y338 PolarHBondContact N-OH 3.15Å; Y335-Y338 VanDerWaalsContact O-CE2 3.29Å; Y335-Y338 WeakPolarHBondContact O-CE2 3.2Å; Y338-P340 VanDerWaalsContact O-CD 3.25Å; Y338-P340 WeakPolarHBondContact O-CD 3.45Å
339	H	96.9	Very high	94.6	Very high	49 Å²	49	53 Å²	53	23%	0.227	25%	0.248	C	C	.	.			trans	-120.7	69.9	-178	-49.9	94.3	0	0	0	109.8	R222 E260 M341	R222-H339 PolarHBondContact NH1-NE2 3.49Å; E260-H339 IonicContact OE2-CD2 3.14Å; E260-H339 PolarHBondContact OE2-CD2 3.24Å; E260-H339 IonicContact OE2-NE2 2.63Å; E260-H339 PolarHBondContact OE2-NE2 2.93Å; E260-H339 VanDerWaalsContact OE2-NE2 3.14Å; H339-M341 VanDerWaalsContact C-N 3.26Å; H339-M341 HydrophobicContact CB-CE 3.93Å; H339-M341 HydrophobicContact CB-CG 4.33Å; H339-M341 HydrophobicContact CB-SD 4.41Å; H339-M341 PolarHBondContact O-N 3.48Å
340	P	96.4	Very high	94.4	Very high	11 Å²	11	55 Å²	55	7%	0.071	26%	0.257	C	S	.	.			trans	-71	88.3	174	29.8	-32.2	0	0	0	108.5	V259 P261 G262 F264 P320 V321 A324 Y338	V259-P340 HydrophobicContact CG1-CG 3.56Å; P261-P340 WeakPolarHBondContact CA-O 3.28Å; P261-P340 HydrophobicContact CB-CG 4.45Å; P261-P340 HydrophobicContact CG-CG 4.33Å; G262-P340 PolarHBondContact N-O 3.46Å; G262-P340 VanDerWaalsContact N-O 3.16Å; F264-P340 WeakPolarHBondContact CE2-O 3.35Å; F264-P340 WeakPolarHBondContact CZ-O 3.44Å; P320-P340 HydrophobicContact CB-CB 3.88Å; P320-P340 WeakPolarHBondContact O-CB 3.25Å; V321-P340 HydrophobicContact CB-CG 4.41Å; V321-P340 HydrophobicContact CG2-CB 3.91Å; V321-P340 HydrophobicContact CG2-CG 3.81Å; A324-P340 HydrophobicContact CB-CG 4.36Å; Y338-P340 VanDerWaalsContact O-CD 3.25Å; Y338-P340 WeakPolarHBondContact O-CD 3.45Å
341	M	94.1	Very high	94.2	Very high	25 Å²	25	55.8 Å²	55.8	12%	0.123	26%	0.26	C	S	.	.	S	Bend	trans	-154.7	158.3	179.6	63.2	-174.7	68.8	0	0	109.3	M219 E260 H339 W345 W346 M349	M219-M341 HydrophobicContact CB-CE 3.84Å; E260-M341 HydrophobicContact CB-CE 4.37Å; E260-M341 WeakPolarHBondContact O-CE 3.28Å; H339-M341 VanDerWaalsContact C-N 3.26Å; H339-M341 HydrophobicContact CB-CE 3.93Å; H339-M341 HydrophobicContact CB-CG 4.33Å; H339-M341 HydrophobicContact CB-SD 4.41Å; H339-M341 PolarHBondContact O-N 3.48Å; M341-W345 HydrophobicContact CB-CB 4.2Å; M341-W345 HydrophobicContact CG-CB 4.42Å; M341-W345 HydrophobicContact SD-CB 4.16Å; M341-W346 HydrophobicContact CG-CB 3.91Å; M341-W346 WeakPolarHBondContact SD-CA 3.33Å; M341-W346 HydrophobicContact SD-CB 3.85Å; M341-W346 PolarHBondContact SD-N 3.36Å; M341-M349 HydrophobicContact CE-CE 4.2Å; M341-M349 HydrophobicContact CE-SD 4.49Å; M341-M349 HydrophobicContact SD-CE 3.91Å
342	D	91.8	Very high	94	Very high	83 Å²	83	57.3 Å²	57.3	44%	0.444	27%	0.267	S	S	.	.			trans	-66.3	167.2	172	66.3	43.6	0	0	0	111.7	Y344 W345 W346	D342-Y344 PolarHBondContact O-N 3.03Å; D342-Y344 WeakPolarHBondContact OD1-CA 3.44Å; D342-Y344 WeakPolarHBondContact OD1-CB 2.82Å; D342-Y344 PolarHBondContact OD1-N 2.86Å; D342-W345 VanDerWaalsContact CG-CD1 3.43Å; D342-W345 PolarHBondContact O-N 3.03Å; D342-W345 PolarHBondContact OD1-N 3.33Å; D342-W346 WeakPolarHBondContact O-CB 3.42Å; D342-W346 PolarHBondContact O-N 2.9Å; D342-W346 VanDerWaalsContact O-N 3.09Å
343	Y	91.9	Very high	94	Very high	158 Å²	158	56.7 Å²	56.7	62%	0.62	26%	0.263	S	S	*	.	H	α-helix	trans	-63.2	-32.5	-178.1	-178	-105.4	0	0	0	112.7	W346 L347	Y343-W346 HydrophobicContact CD2-CE3 4.08Å; Y343-W346 AromaticContact CE2-CE3 3.87Å; Y343-W346 HydrophobicContact CE2-CE3 3.87Å; Y343-W346 AromaticContact CE2-CZ3 3.9Å; Y343-W346 HydrophobicContact CE2-CZ3 3.9Å; Y343-W346 PolarHBondContact O-N 2.9Å; Y343-L347 HydrophobicContact CE1-CD2 4.13Å; Y343-L347 VanDerWaalsContact O-CB 3.27Å; Y343-L347 WeakPolarHBondContact O-CB 3.28Å; Y343-L347 PolarHBondContact O-N 2.85Å
344	Y	91.8	Very high	93.9	Very high	128 Å²	128	59.2 Å²	59.2	50%	0.502	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-51.4	-179.6	165.6	-99	0	0	0	111.1	D342 W346 L347 R348	D342-Y344 PolarHBondContact O-N 3.03Å; D342-Y344 WeakPolarHBondContact OD1-CA 3.44Å; D342-Y344 WeakPolarHBondContact OD1-CB 2.82Å; D342-Y344 PolarHBondContact OD1-N 2.86Å; Y344-W346 VanDerWaalsContact C-N 3.31Å; Y344-W346 PolarHBondContact O-N 3.4Å; Y344-L347 PolarHBondContact O-N 3.38Å; Y344-R348 WeakPolarHBondContact O-CB 3.42Å; Y344-R348 PolarHBondContact O-N 3.45Å
345	W	92.3	Very high	93.7	Very high	28 Å²	28	61.6 Å²	61.6	11%	0.106	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-39.3	177.3	-71.6	117	0	0	0	111.9	M219 M223 N263 M341 D342 R348 M349	M219-W345 HydrophobicContact CE-CD2 3.79Å; M219-W345 HydrophobicContact CE-CE3 3.52Å; M219-W345 HydrophobicContact CE-CG 4.43Å; M219-W345 HydrophobicContact CE-CH2 4.19Å; M219-W345 HydrophobicContact CE-CZ2 4.44Å; M219-W345 HydrophobicContact CE-CZ3 3.73Å; M219-W345 HydrophobicContact SD-CB 3.91Å; M219-W345 HydrophobicContact SD-CD2 3.7Å; M219-W345 HydrophobicContact SD-CE3 3.45Å; M219-W345 HydrophobicContact SD-CG 3.89Å; M219-W345 HydrophobicContact SD-CZ3 4.21Å; M223-W345 HydrophobicContact CE-CE3 4.15Å; M223-W345 HydrophobicContact CE-CZ3 4.16Å; N263-W345 HydrophobicContact CB-CZ2 3.98Å; M341-W345 HydrophobicContact CB-CB 4.2Å; M341-W345 HydrophobicContact CG-CB 4.42Å; M341-W345 HydrophobicContact SD-CB 4.16Å; D342-W345 VanDerWaalsContact CG-CD1 3.43Å; D342-W345 PolarHBondContact O-N 3.03Å; D342-W345 PolarHBondContact OD1-N 3.33Å; W345-R348 PolarHBondContact O-N 2.85Å; W345-M349 WeakPolarHBondContact O-CB 3.42Å; W345-M349 PolarHBondContact O-N 3.07Å
346	W	93.7	Very high	93.5	Very high	70 Å²	70	59.2 Å²	59.2	27%	0.265	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-50	175.7	-179.4	81.7	0	0	0	111.5	M341 D342 Y343 Y344 M349 Q350	M341-W346 HydrophobicContact CG-CB 3.91Å; M341-W346 WeakPolarHBondContact SD-CA 3.33Å; M341-W346 HydrophobicContact SD-CB 3.85Å; M341-W346 PolarHBondContact SD-N 3.36Å; D342-W346 WeakPolarHBondContact O-CB 3.42Å; D342-W346 PolarHBondContact O-N 2.9Å; D342-W346 VanDerWaalsContact O-N 3.09Å; Y343-W346 HydrophobicContact CD2-CE3 4.08Å; Y343-W346 AromaticContact CE2-CE3 3.87Å; Y343-W346 HydrophobicContact CE2-CE3 3.87Å; Y343-W346 AromaticContact CE2-CZ3 3.9Å; Y343-W346 HydrophobicContact CE2-CZ3 3.9Å; Y343-W346 PolarHBondContact O-N 2.9Å; Y344-W346 VanDerWaalsContact C-N 3.31Å; Y344-W346 PolarHBondContact O-N 3.4Å; W346-M349 HydrophobicContact CG-CE 4.44Å; W346-M349 PolarHBondContact O-N 3.37Å; W346-Q350 HydrophobicContact CD2-CG 4.12Å; W346-Q350 HydrophobicContact CE3-CG 4.34Å; W346-Q350 HydrophobicContact CH2-CG 4.04Å; W346-Q350 HydrophobicContact CZ2-CG 3.79Å; W346-Q350 HydrophobicContact CZ3-CG 4.3Å; W346-Q350 WeakPolarHBondContact O-CG 3.48Å; W346-Q350 PolarHBondContact O-N 2.85Å
347	L	93.2	Very high	93.1	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-45.8	179.5	179.4	61.9	0	0	0	111.2	Y343 Y344 M349 Q350 I351	Y343-L347 HydrophobicContact CE1-CD2 4.13Å; Y343-L347 VanDerWaalsContact O-CB 3.27Å; Y343-L347 WeakPolarHBondContact O-CB 3.28Å; Y343-L347 PolarHBondContact O-N 2.85Å; Y344-L347 PolarHBondContact O-N 3.38Å; L347-M349 VanDerWaalsContact C-N 3.34Å; L347-M349 PolarHBondContact O-N 2.94Å; L347-Q350 PolarHBondContact O-N 3.42Å; L347-Q350 VanDerWaalsContact O-N 3.12Å; L347-I351 HydrophobicContact CD1-CD1 4.1Å; L347-I351 HydrophobicContact CD1-CG1 4.25Å; L347-I351 HydrophobicContact CD2-CD1 4.49Å; L347-I351 HydrophobicContact CG-CD1 3.85Å; L347-I351 HydrophobicContact CG-CG1 4.41Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.34Å; L347-I351 PolarHBondContact O-N 3.18Å
348	R	91.4	Very high	92.7	Very high	38 Å²	38	59 Å²	59	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-47.8	176.8	173.6	169.1	179.8	-179.8	1.9	111.7	M223 N225 Y344 W345 Q350 I351 I352 Y364	M223-R348 HydrophobicContact CE-CG 4.45Å; M223-R348 HydrophobicContact SD-CG 4.17Å; N225-R348 PolarHBondContact OD1-NH2 2.61Å; N225-R348 VanDerWaalsContact OD1-NH2 3.1Å; Y344-R348 WeakPolarHBondContact O-CB 3.42Å; Y344-R348 PolarHBondContact O-N 3.45Å; W345-R348 PolarHBondContact O-N 2.85Å; R348-Q350 PolarHBondContact O-N 2.95Å; R348-I351 PolarHBondContact O-N 3.43Å; R348-I352 HydrophobicContact CG-CD1 3.79Å; R348-I352 WeakPolarHBondContact O-CG1 3.17Å; R348-I352 PolarHBondContact O-N 3.01Å; R348-Y364 HydrophobicContact CG-CE1 3.82Å; R348-Y364 HydrophobicContact CG-CE2 4.48Å
349	M	93.4	Very high	92.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-45.4	175.5	174.1	-162	44.1	0	0	111.1	R222 M223 M341 W345 W346 L347 I351 I352 T353	R222-M349 HydrophobicContact CB-CG 4.35Å; R222-M349 HydrophobicContact CB-SD 4.23Å; M223-M349 HydrophobicContact SD-CB 3.87Å; M341-M349 HydrophobicContact CE-CE 4.2Å; M341-M349 HydrophobicContact CE-SD 4.49Å; M341-M349 HydrophobicContact SD-CE 3.91Å; W345-M349 WeakPolarHBondContact O-CB 3.42Å; W345-M349 PolarHBondContact O-N 3.07Å; W346-M349 HydrophobicContact CG-CE 4.44Å; W346-M349 PolarHBondContact O-N 3.37Å; L347-M349 VanDerWaalsContact C-N 3.34Å; L347-M349 PolarHBondContact O-N 2.94Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.29Å; M349-I352 PolarHBondContact O-N 3.21Å; M349-T353 HydrophobicContact CG-CG2 4.3Å; M349-T353 WeakPolarHBondContact O-CB 3.39Å; M349-T353 VanDerWaalsContact O-CG2 3.3Å; M349-T353 WeakPolarHBondContact O-CG2 3.31Å; M349-T353 PolarHBondContact O-N 3.46Å; M349-T353 PolarHBondContact O-OG1 2.94Å
350	Q	92.4	Very high	91.8	Very high	42 Å²	42	59.7 Å²	59.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-44.7	177.9	-65.5	-50	-44.8	0	0	111.8	W346 L347 R348 T353 H354	W346-Q350 HydrophobicContact CD2-CG 4.12Å; W346-Q350 HydrophobicContact CE3-CG 4.34Å; W346-Q350 HydrophobicContact CH2-CG 4.04Å; W346-Q350 HydrophobicContact CZ2-CG 3.79Å; W346-Q350 HydrophobicContact CZ3-CG 4.3Å; W346-Q350 WeakPolarHBondContact O-CG 3.48Å; W346-Q350 PolarHBondContact O-N 2.85Å; L347-Q350 PolarHBondContact O-N 3.42Å; L347-Q350 VanDerWaalsContact O-N 3.12Å; R348-Q350 PolarHBondContact O-N 2.95Å; Q350-T353 PolarHBondContact O-N 3.24Å; Q350-T353 PolarHBondContact O-OG1 3.01Å; Q350-H354 WeakPolarHBondContact O-CB 3.2Å; Q350-H354 PolarHBondContact O-N 2.91Å; Q350-H354 PolarHBondContact O-ND1 3.3Å; Q350-H354 PolarHBondContact OE1-CE1 3.07Å; Q350-H354 PolarHBondContact OE1-ND1 2.66Å
351	I	91.1	Very high	91.4	Very high	42 Å²	42	63 Å²	63	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-52.1	178.3	-69.6	171.1	0	0	0	110.3	L347 R348 M349 T353 L355 I363 Y364	L347-I351 HydrophobicContact CD1-CD1 4.1Å; L347-I351 HydrophobicContact CD1-CG1 4.25Å; L347-I351 HydrophobicContact CD2-CD1 4.49Å; L347-I351 HydrophobicContact CG-CD1 3.85Å; L347-I351 HydrophobicContact CG-CG1 4.41Å; L347-I351 VanDerWaalsContact O-CG1 3.3Å; L347-I351 WeakPolarHBondContact O-CG1 3.34Å; L347-I351 PolarHBondContact O-N 3.18Å; R348-I351 PolarHBondContact O-N 3.43Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.29Å; I351-T353 VanDerWaalsContact C-N 3.29Å; I351-T353 PolarHBondContact O-N 3.23Å; I351-L355 HydrophobicContact CB-CD1 4.49Å; I351-L355 HydrophobicContact CG2-CD1 3.59Å; I351-L355 HydrophobicContact CG2-CG 4.27Å; I351-L355 VanDerWaalsContact O-CB 3.26Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 3.4Å; I351-I363 HydrophobicContact CG2-CD1 4.07Å; I351-Y364 HydrophobicContact CB-CE2 4.5Å; I351-Y364 HydrophobicContact CG2-CE2 3.79Å
352	I	90.5	Very high	91.1	Very high	37 Å²	37	68.2 Å²	68.2	19%	0.19	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-35.5	-177.6	-67.5	170.9	0	0	0	111.6	M223 R348 M349 Y364	M223-I352 HydrophobicContact CB-CB 4.2Å; M223-I352 HydrophobicContact CB-CD1 4.38Å; M223-I352 HydrophobicContact CB-CG2 3.8Å; M223-I352 HydrophobicContact SD-CD1 3.87Å; R348-I352 HydrophobicContact CG-CD1 3.79Å; R348-I352 WeakPolarHBondContact O-CG1 3.17Å; R348-I352 PolarHBondContact O-N 3.01Å; M349-I352 PolarHBondContact O-N 3.21Å; I352-Y364 HydrophobicContact CD1-CD2 3.8Å; I352-Y364 HydrophobicContact CD1-CE2 3.89Å; I352-Y364 HydrophobicContact CD1-CG 4.24Å; I352-Y364 HydrophobicContact CG1-CD2 3.56Å; I352-Y364 HydrophobicContact CG1-CE2 3.47Å; I352-Y364 VanDerWaalsContact CG1-CE2 3.47Å; I352-Y364 HydrophobicContact CG1-CG 4.47Å
353	T	91.1	Very high	90.8	Very high	47 Å²	47	67.6 Å²	67.6	29%	0.288	35%	0.348	S	S	.	.	H	α-helix	trans	-87.1	-17.3	-173.9	52.9	0	0	0	0	114.8	R222 M223 M349 Q350 I351	R222-T353 HydrophobicContact CB-CG2 4.22Å; R222-T353 WeakPolarHBondContact O-CG2 3.2Å; M223-T353 HydrophobicContact CB-CG2 4.49Å; M349-T353 HydrophobicContact CG-CG2 4.3Å; M349-T353 WeakPolarHBondContact O-CB 3.39Å; M349-T353 VanDerWaalsContact O-CG2 3.3Å; M349-T353 WeakPolarHBondContact O-CG2 3.31Å; M349-T353 PolarHBondContact O-N 3.46Å; M349-T353 PolarHBondContact O-OG1 2.94Å; Q350-T353 PolarHBondContact O-N 3.24Å; Q350-T353 PolarHBondContact O-OG1 3.01Å; I351-T353 VanDerWaalsContact C-N 3.29Å; I351-T353 PolarHBondContact O-N 3.23Å
354	H	93.1	Very high	90.2	Very high	122 Å²	122	63.3 Å²	63.3	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-122.1	-15.5	-174.5	-60.7	79.6	0	0	0	114.4	Q350	Q350-H354 WeakPolarHBondContact O-CB 3.2Å; Q350-H354 PolarHBondContact O-N 2.91Å; Q350-H354 PolarHBondContact O-ND1 3.3Å; Q350-H354 PolarHBondContact OE1-CE1 3.07Å; Q350-H354 PolarHBondContact OE1-ND1 2.66Å
355	L	92.1	Very high	89.7	Confident	72 Å²	72	62.6 Å²	62.6	38%	0.377	34%	0.335	S	S	.	.	S	Bend	trans	-83.4	153.7	171.7	-64.7	-172.5	0	0	0	111.2	I351 I359 I363	I351-L355 HydrophobicContact CB-CD1 4.49Å; I351-L355 HydrophobicContact CG2-CD1 3.59Å; I351-L355 HydrophobicContact CG2-CG 4.27Å; I351-L355 VanDerWaalsContact O-CB 3.26Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 3.4Å; L355-I359 HydrophobicContact CB-CB 4.5Å; L355-I359 HydrophobicContact CD1-CG2 3.82Å; L355-I363 HydrophobicContact CD1-CD1 4.35Å
356	P	93.1	Very high	88	Confident	81 Å²	81	75.3 Å²	75.3	53%	0.526	38%	0.383	S	S	.	.			trans	-53	139.5	166.7	-24.4	33.2	0	0	0	111.4	A358 I359 S360	P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 2.77Å; P356-A358 VanDerWaalsContact O-N 3.16Å; P356-I359 HydrophobicContact CB-CD1 4.48Å; P356-I359 HydrophobicContact CB-CG1 4.45Å; P356-I359 HydrophobicContact CG-CD1 4.17Å; P356-I359 PolarHBondContact O-N 2.95Å; P356-S360 PolarHBondContact O-N 3.42Å; P356-S360 VanDerWaalsContact O-N 3.16Å
357	G	88.5	Confident	87.7	Confident	41 Å²	41	75.6 Å²	75.6	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-50.6	-43	-176.4	0	0	0	0	0	113.7	I359 S360 D361	G357-I359 PolarHBondContact O-N 3.46Å; G357-S360 WeakPolarHBondContact CA-OG 3.4Å; G357-S360 PolarHBondContact O-N 2.95Å; G357-S360 PolarHBondContact O-OG 3.19Å; G357-D361 VanDerWaalsContact O-CB 3.22Å; G357-D361 WeakPolarHBondContact O-CB 3.41Å; G357-D361 PolarHBondContact O-N 3.31Å
358	A	90.1	Very high	87.4	Confident	81 Å²	81	76.1 Å²	76.1	67%	0.669	39%	0.391	S	S	*	.	H	α-helix	trans	-57.6	-35.4	177.7	0	0	0	0	0	113.6	P356 M362	P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 2.77Å; P356-A358 VanDerWaalsContact O-N 3.16Å; A358-M362 WeakPolarHBondContact O-CB 3.29Å; A358-M362 PolarHBondContact O-N 2.97Å; A358-M362 VanDerWaalsContact O-N 3.13Å
359	I	89	Confident	87.2	Confident	75 Å²	75	78.2 Å²	78.2	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-77.8	-44.3	179.3	-57.8	-178.8	0	0	0	110.2	L355 P356 G357 D361 M362 I363	L355-I359 HydrophobicContact CB-CB 4.5Å; L355-I359 HydrophobicContact CD1-CG2 3.82Å; P356-I359 HydrophobicContact CB-CD1 4.48Å; P356-I359 HydrophobicContact CB-CG1 4.45Å; P356-I359 HydrophobicContact CG-CD1 4.17Å; P356-I359 PolarHBondContact O-N 2.95Å; G357-I359 PolarHBondContact O-N 3.46Å; I359-D361 VanDerWaalsContact C-N 3.28Å; I359-D361 PolarHBondContact O-N 3.09Å; I359-M362 PolarHBondContact O-N 3.5Å; I359-I363 HydrophobicContact CG2-CD1 4.13Å; I359-I363 WeakPolarHBondContact O-CD1 3.47Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 2.93Å; I359-I363 PolarHBondContact O-N 3.38Å
360	S	87.1	Confident	86.8	Confident	7 Å²	7	82.8 Å²	82.8	5%	0.049	43%	0.429	C	S	.	.	H	α-helix	trans	-61.6	-40.5	176.2	55.9	0	0	0	0	111.5	P356 G357 I363 Y364	P356-S360 PolarHBondContact O-N 3.42Å; P356-S360 VanDerWaalsContact O-N 3.16Å; G357-S360 WeakPolarHBondContact CA-OG 3.4Å; G357-S360 PolarHBondContact O-N 2.95Å; G357-S360 PolarHBondContact O-OG 3.19Å; S360-I363 PolarHBondContact O-N 3.24Å; S360-I363 VanDerWaalsContact O-N 3.16Å; S360-Y364 VanDerWaalsContact O-CD2 3.26Å; S360-Y364 WeakPolarHBondContact O-CD2 3.33Å; S360-Y364 PolarHBondContact O-N 3.22Å
361	D	88.9	Confident	86.5	Confident	80 Å²	80	85.3 Å²	85.3	43%	0.428	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-44.3	-179.4	-69.3	-1.6	0	0	0	110.4	G357 I359 I363 Y364 I365	G357-D361 VanDerWaalsContact O-CB 3.22Å; G357-D361 WeakPolarHBondContact O-CB 3.41Å; G357-D361 PolarHBondContact O-N 3.31Å; I359-D361 VanDerWaalsContact C-N 3.28Å; I359-D361 PolarHBondContact O-N 3.09Å; D361-I363 PolarHBondContact O-N 3.37Å; D361-I363 VanDerWaalsContact O-N 3.14Å; D361-Y364 PolarHBondContact O-N 2.75Å; D361-I365 HydrophobicContact CB-CB 4.5Å; D361-I365 HydrophobicContact CB-CD1 3.75Å; D361-I365 HydrophobicContact CB-CG1 4.2Å; D361-I365 CarbonylContact O-C 3.55Å; D361-I365 WeakPolarHBondContact O-CA 3.03Å; D361-I365 VanDerWaalsContact O-CB 3.27Å; D361-I365 WeakPolarHBondContact O-CB 3.41Å; D361-I365 PolarHBondContact O-N 2.65Å
362	M	87.4	Confident	86.2	Confident	134 Å²	134	88.2 Å²	88.2	66%	0.66	46%	0.459	S	S	*	.	H	α-helix	trans	-57.9	-30.3	173.9	-175.6	179.5	66	0	0	113.4	A358 I359	A358-M362 WeakPolarHBondContact O-CB 3.29Å; A358-M362 PolarHBondContact O-N 2.97Å; A358-M362 VanDerWaalsContact O-N 3.13Å; I359-M362 PolarHBondContact O-N 3.5Å
363	I	84.9	Confident	85.9	Confident	70 Å²	70	91.9 Å²	91.9	36%	0.359	48%	0.478	S	S	.	.	H	α-helix	trans	-79.8	-41.1	179.3	-64.2	165.4	0	0	0	111.3	I351 L355 I359 S360 D361	I351-I363 HydrophobicContact CG2-CD1 4.07Å; L355-I363 HydrophobicContact CD1-CD1 4.35Å; I359-I363 HydrophobicContact CG2-CD1 4.13Å; I359-I363 WeakPolarHBondContact O-CD1 3.47Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 2.93Å; I359-I363 PolarHBondContact O-N 3.38Å; S360-I363 PolarHBondContact O-N 3.24Å; S360-I363 VanDerWaalsContact O-N 3.16Å; D361-I363 PolarHBondContact O-N 3.37Å; D361-I363 VanDerWaalsContact O-N 3.14Å
364	Y	79.8	Confident	85.5	Confident	69 Å²	69	95.3 Å²	95.3	27%	0.271	49%	0.492	S	S	.	.	H	α-helix	trans	-115.2	-16.3	-165.8	-63.5	-69.2	0	0	0	115.5	R348 I351 I352 S360 D361	R348-Y364 HydrophobicContact CG-CE1 3.82Å; R348-Y364 HydrophobicContact CG-CE2 4.48Å; I351-Y364 HydrophobicContact CB-CE2 4.5Å; I351-Y364 HydrophobicContact CG2-CE2 3.79Å; I352-Y364 HydrophobicContact CD1-CD2 3.8Å; I352-Y364 HydrophobicContact CD1-CE2 3.89Å; I352-Y364 HydrophobicContact CD1-CG 4.24Å; I352-Y364 HydrophobicContact CG1-CD2 3.56Å; I352-Y364 HydrophobicContact CG1-CE2 3.47Å; I352-Y364 VanDerWaalsContact CG1-CE2 3.47Å; I352-Y364 HydrophobicContact CG1-CG 4.47Å; S360-Y364 VanDerWaalsContact O-CD2 3.26Å; S360-Y364 WeakPolarHBondContact O-CD2 3.33Å; S360-Y364 PolarHBondContact O-N 3.22Å; D361-Y364 PolarHBondContact O-N 2.75Å
365	I	81.1	Confident	84.8	Confident	113 Å²	113	93.1 Å²	93.1	58%	0.579	49%	0.486	S	S	*	.			trans	-104.7	91.2	172	-51.6	-178.7	0	0	0	105.8	D361	D361-I365 HydrophobicContact CB-CB 4.5Å; D361-I365 HydrophobicContact CB-CD1 3.75Å; D361-I365 HydrophobicContact CB-CG1 4.2Å; D361-I365 CarbonylContact O-C 3.55Å; D361-I365 WeakPolarHBondContact O-CA 3.03Å; D361-I365 VanDerWaalsContact O-CB 3.27Å; D361-I365 WeakPolarHBondContact O-CB 3.41Å; D361-I365 PolarHBondContact O-N 2.65Å
366	R	56.3	Low	84.2	Confident	294 Å²	294	95 Å²	95	100%	1.109	50%	0.496	S	S	*	.			trans	-110.1	0	173.6	-81.1	-169.7	179.4	178.7	-0.7	110.8

Retrieved 366 of 366 residues in 238.7 ms (Link to these results)

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