A0A5F8A2X7_MACMU Loading...

D-beta-hydroxybutyrate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A5F8A2X7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene BDH1, 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 106.4 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).