A0A093I9J0_STRCA Loading...

D-beta-hydroxybutyrate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A093I9J0, Species STRCA (Struthio camelus australis), Gene n/a, Length 343 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	34	Very low	32.8	Very low	238 Å²	238	163.6 Å²	163.6	100%	1.172	85%	0.851	S	S	*	*				0	113.3	0	-84.9	173	173.7	0	0	108.3
2	L	32	Very low	32.7	Very low	166 Å²	166	162.8 Å²	162.8	87%	0.869	85%	0.848	S	S	*	*			trans	36.3	108.6	161	-71.8	117	0	0	0	119.9
3	A	31.2	Very low	32.4	Very low	77 Å²	77	166.5 Å²	166.5	64%	0.636	85%	0.854	S	S	*	*				81.2	101.3	80.8	0	0	0	0	0	112
4	T	32.6	Very low	32.2	Very low	131 Å²	131	162.4 Å²	162.4	80%	0.804	85%	0.848	S	S	*	*				110.8	129.2	82.7	33.1	0	0	0	0	113.1
5	R	31.8	Very low	32.5	Very low	232 Å²	232	160.4 Å²	160.4	88%	0.875	85%	0.845	S	S	*	*			trans	47.8	128	146.9	-72.1	-175.3	171.3	-159.9	-1.5	120
6	L	29.3	Very low	32.4	Very low	160 Å²	160	162.3 Å²	162.3	84%	0.838	84%	0.843	S	S	*	*				-175.3	113.4	101.3	-95.6	156.5	0	0	0	111.4
7	S	36	Very low	32.6	Very low	110 Å²	110	157.4 Å²	157.4	77%	0.769	83%	0.832	S	S	*	*			trans	-78.3	131.8	155.4	38.9	0	0	0	0	109.2
8	R	31.8	Very low	32.5	Very low	234 Å²	234	158.3 Å²	158.3	88%	0.883	84%	0.837	S	S	*	*			trans	-169.9	138.9	150.6	-107.4	172	-169.3	-150.7	2.2	111.3
9	P	36.2	Very low	32.3	Very low	114 Å²	114	157.9 Å²	157.9	74%	0.74	84%	0.835	S	S	*	*			trans	-85	135.6	174	33.8	-29.2	0	0	0	110.1	L11	P9-L11 PolarHBondContact O-N 3.28Å
10	L	31.3	Very low	32.3	Very low	186 Å²	186	156.8 Å²	156.8	97%	0.974	84%	0.835	S	S	*	*			trans	-94.2	87.5	170.2	-75	169.8	0	0	0	109.3
11	L	35.3	Very low	32.2	Very low	152 Å²	152	160.8 Å²	160.8	80%	0.796	84%	0.838	S	S	*	*			trans	-95.4	116	153.6	-109.4	140.7	0	0	0	106.6	P9	P9-L11 PolarHBondContact O-N 3.28Å
12	N	31.2	Very low	32.1	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	82%	0.82	S	S	*	*			trans	158.9	82.8	146.3	-83.1	-16.3	0	0	0	110.4
13	F	28.5	Very low	32.3	Very low	211 Å²	211	154.9 Å²	154.9	93%	0.925	82%	0.819	S	S	*	*			trans	-93.2	107.2	151.3	-87.2	-83.6	0	0	0	107.7	V15	F13-V15 PolarHBondContact O-N 3.26Å
14	S	30.3	Very low	32.4	Very low	110 Å²	110	154.5 Å²	154.5	77%	0.769	82%	0.823	S	S	*	*			trans	-73.6	104.4	170.2	-178.1	0	0	0	0	108.3	K16	S14-K16 PolarHBondContact O-N 3.18Å
15	V	36.2	Very low	32.5	Very low	132 Å²	132	155.3 Å²	155.3	80%	0.8	82%	0.822	S	S	*	*			trans	-78.3	103.1	166.6	-179.8	0	0	0	0	106.9	F13 A17	F13-V15 PolarHBondContact O-N 3.26Å; V15-A17 PolarHBondContact O-N 2.94Å
16	K	31.3	Very low	32.7	Very low	190 Å²	190	150.5 Å²	150.5	83%	0.826	82%	0.818	S	S	*	*			trans	-64.7	111.6	165	-83.9	-179.8	175	177.1	0	107.9	S14 L18	S14-K16 PolarHBondContact O-N 3.18Å; K16-L18 PolarHBondContact O-N 3.08Å
17	A	36.3	Very low	32.9	Very low	79 Å²	79	152.3 Å²	152.3	65%	0.653	82%	0.82	S	S	*	*			trans	-65.2	127.7	167.3	0	0	0	0	0	109.4	V15 N19	V15-A17 PolarHBondContact O-N 2.94Å; A17-N19 PolarHBondContact O-N 3.43Å; A17-N19 VanDerWaalsContact O-N 3.15Å
18	L	29.4	Very low	32.8	Very low	174 Å²	174	157.3 Å²	157.3	91%	0.911	82%	0.822	S	S	*	*			trans	-66.1	104.6	165.8	-89.1	150.8	0	0	0	108.1	K16 V20	K16-L18 PolarHBondContact O-N 3.08Å; L18-V20 PolarHBondContact O-N 3.22Å
19	N	29.7	Very low	32.8	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	82%	0.819	S	S	*	*			trans	-79	106.6	170.9	-89.1	-26.7	0	0	0	109.2	A17	A17-N19 PolarHBondContact O-N 3.43Å; A17-N19 VanDerWaalsContact O-N 3.15Å
20	V	32.3	Very low	32.7	Very low	135 Å²	135	153 Å²	153	82%	0.818	82%	0.821	S	S	*	*			trans	-85.6	113.4	160	179.2	0	0	0	0	106.8	L18	L18-V20 PolarHBondContact O-N 3.22Å
21	R	29.3	Very low	32.9	Very low	241 Å²	241	152.1 Å²	152.1	91%	0.909	81%	0.812	S	S	*	*			trans	-85.9	121.5	171.4	-85.6	-178	172.8	179.1	-2.3	108.6
22	D	32.4	Very low	32.6	Very low	150 Å²	150	155.7 Å²	155.7	80%	0.802	82%	0.815	S	S	*	*			trans	-115.4	125.6	165.3	-150.8	-2.9	0	0	0	107.8	G24	D22-G24 PolarHBondContact O-N 3.36Å
23	P	35.8	Very low	32.7	Very low	130 Å²	130	157 Å²	157	84%	0.844	81%	0.814	S	S	*	*			trans	-88.3	87.2	-176.2	33.1	-27.4	0	0	0	109.8
24	G	32.8	Very low	32.7	Very low	69 Å²	69	152.5 Å²	152.5	71%	0.711	81%	0.808	S	S	*	*			trans	-160	100.3	178.1	0	0	0	0	0	111.6	D22 V26	D22-G24 PolarHBondContact O-N 3.36Å; G24-V26 PolarHBondContact O-N 3.15Å
25	N	36	Very low	32.8	Very low	147 Å²	147	155.7 Å²	155.7	79%	0.786	81%	0.808	S	S	*	*			trans	-74.1	103.1	-170.7	-166.1	19.1	0	0	0	112.5
26	V	34.5	Very low	32.7	Very low	131 Å²	131	154.7 Å²	154.7	79%	0.794	80%	0.804	S	S	*	*			trans	-149.8	110.2	150.8	-174.1	0	0	0	0	109.3	G24 R28	G24-V26 PolarHBondContact O-N 3.15Å; V26-R28 PolarHBondContact O-N 2.95Å
27	F	35	Very low	32.9	Very low	199 Å²	199	152.2 Å²	152.2	87%	0.873	80%	0.798	S	S	*	*			trans	-63.7	116.2	173.1	-95.4	-98.8	0	0	0	111
28	R	33.6	Very low	32.8	Very low	214 Å²	214	156.5 Å²	156.5	81%	0.808	81%	0.809	S	S	*	*			trans	-108.9	142	153.9	-76.8	-171.2	177.2	-157.1	0.7	108.3	V26 V30	V26-R28 PolarHBondContact O-N 2.95Å; R28-V30 PolarHBondContact O-N 2.88Å
29	P	30.6	Very low	32.9	Very low	126 Å²	126	156.5 Å²	156.5	82%	0.818	80%	0.798	S	S	*	*			trans	-66	121.9	176.2	16.5	-11.7	0	0	0	108.6	Q31	P29-Q31 PolarHBondContact O-N 3.47Å; P29-Q31 VanDerWaalsContact O-N 3.08Å
30	V	35.7	Very low	33.4	Very low	131 Å²	131	155.3 Å²	155.3	79%	0.794	80%	0.799	S	S	*	*			trans	-59.4	112.9	171.5	179.4	0	0	0	0	107.3	R28 R32	R28-V30 PolarHBondContact O-N 2.88Å; V30-R32 PolarHBondContact O-N 3.17Å
31	Q	35.2	Very low	33.7	Very low	168 Å²	168	159.4 Å²	159.4	79%	0.785	80%	0.802	S	S	*	*			trans	-59.8	105.1	172.2	-156.8	169.1	2.5	0	0	106.7	P29 F33	P29-Q31 PolarHBondContact O-N 3.47Å; P29-Q31 VanDerWaalsContact O-N 3.08Å; Q31-F33 PolarHBondContact O-N 3.28Å
32	R	29.5	Very low	34	Very low	227 Å²	227	150.8 Å²	150.8	86%	0.857	79%	0.787	S	S	*	*			trans	-61.2	106.7	176.6	-75.1	-176.7	175	179.9	-1.1	107.3	V30 C34	V30-R32 PolarHBondContact O-N 3.17Å; R32-C34 PolarHBondContact O-N 3.1Å
33	F	31.6	Very low	34	Very low	180 Å²	180	148.9 Å²	148.9	79%	0.789	79%	0.786	S	S	*	*			trans	-65.9	90	162.8	-84.2	-88.6	0	0	0	107.5	Q31 F35	Q31-F33 PolarHBondContact O-N 3.28Å; F33-F35 PolarHBondContact O-N 3.24Å; F33-F35 VanDerWaalsContact O-N 3.1Å
34	C	29.2	Very low	34.1	Very low	118 Å²	118	154.4 Å²	154.4	80%	0.797	79%	0.79	S	S	*	*			trans	-67.2	101.2	160.9	-96.2	0	0	0	0	106.9	R32 P36	R32-C34 PolarHBondContact O-N 3.1Å; C34-P36 WeakPolarHBondContact O-CD 3.39Å
35	F	31.4	Very low	34.1	Very low	176 Å²	176	156.5 Å²	156.5	77%	0.772	79%	0.793	S	S	*	*			trans	-62.9	120.4	160	-82.3	-89.1	0	0	0	107.3	F33 I37	F33-F35 PolarHBondContact O-N 3.24Å; F33-F35 VanDerWaalsContact O-N 3.1Å; F35-I37 PolarHBondContact O-N 3.05Å
36	P	34.8	Very low	34.4	Very low	111 Å²	111	160.3 Å²	160.3	72%	0.721	80%	0.798	S	S	*	*			trans	-62.3	130.5	171.6	26.1	-30.2	0	0	0	107.8	C34 L38	C34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-L38 PolarHBondContact O-N 3.29Å
37	I	36	Very low	35.1	Very low	139 Å²	139	156.4 Å²	156.4	71%	0.713	78%	0.779	S	S	*	*			trans	-59.4	111.7	171.5	-64.8	169.3	0	0	0	106.7	F35 Y39	F35-I37 PolarHBondContact O-N 3.05Å; I37-Y39 HydrophobicContact CG2-CD2 4.32Å; I37-Y39 HydrophobicContact CG2-CE2 4.22Å; I37-Y39 PolarHBondContact O-N 2.86Å
38	L	33.8	Very low	36.4	Very low	168 Å²	168	150.8 Å²	150.8	88%	0.88	76%	0.764	S	S	*	*			trans	-66.4	97.2	170.3	-94.9	141.6	0	0	0	108	P36	P36-L38 PolarHBondContact O-N 3.29Å
39	Y	32.5	Very low	37.9	Very low	174 Å²	174	146 Å²	146	68%	0.682	75%	0.751	S	S	*	*			trans	-66.2	129.2	162.7	-81.3	-90.7	0	0	0	108.2	I37 Y41	I37-Y39 HydrophobicContact CG2-CD2 4.32Å; I37-Y39 HydrophobicContact CG2-CE2 4.22Å; I37-Y39 PolarHBondContact O-N 2.86Å; Y39-Y41 PolarHBondContact O-N 2.99Å
40	P	39	Very low	39.7	Very low	128 Å²	128	141.2 Å²	141.2	83%	0.831	72%	0.72	S	S	*	*			trans	-74.5	83.6	169.9	31.9	-29.3	0	0	0	106.9	G42	P40-G42 PolarHBondContact O-N 3.39Å
41	Y	39.5	Very low	40.6	Very low	221 Å²	221	141.8 Å²	141.8	87%	0.867	72%	0.718	S	S	*	*			trans	-72	122.5	165.8	-111.9	-91.9	0	0	0	108	Y39	Y39-Y41 PolarHBondContact O-N 2.99Å
42	G	34.3	Very low	41.8	Very low	59 Å²	59	141.3 Å²	141.3	61%	0.608	72%	0.716	S	S	*	*			trans	-64.1	165.7	-170.9	0	0	0	0	0	114.3	P40	P40-G42 PolarHBondContact O-N 3.39Å
43	S	33.9	Very low	43.5	Very low	111 Å²	111	131.6 Å²	131.6	78%	0.776	68%	0.681	S	S	*	*			trans	51	104.9	163.9	-58.4	0	0	0	0	115.7	C45	S43-C45 PolarHBondContact O-N 3.31Å
44	R	36.8	Very low	44.8	Very low	245 Å²	245	125.1 Å²	125.1	93%	0.925	66%	0.664	S	S	*	*			trans	-58.1	84.9	167.7	-149.2	176.4	-166.3	174.4	1.8	109	Y46	R44-Y46 PolarHBondContact O-N 2.75Å
45	C	32.7	Very low	46.9	Very low	114 Å²	114	122.9 Å²	122.9	77%	0.77	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-63.8	123.2	171	-76.1	0	0	0	0	107.4	S43 A47	S43-C45 PolarHBondContact O-N 3.31Å; C45-A47 PolarHBondContact O-N 3.02Å
46	Y	43.4	Very low	49.7	Very low	227 Å²	227	116.8 Å²	116.8	89%	0.89	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-50.2	126.8	169.2	-76.3	-90.5	0	0	0	108.4	R44 S48	R44-Y46 PolarHBondContact O-N 2.75Å; Y46-S48 PolarHBondContact O-N 3.36Å
47	A	48.7	Very low	52.6	Low	49 Å²	49	111.8 Å²	111.8	41%	0.405	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-50.7	123.3	-174.8	0	0	0	0	0	110.1	C45 E49	C45-A47 PolarHBondContact O-N 3.02Å; A47-E49 PolarHBondContact O-N 3.45Å
48	S	61.5	Low	55.6	Low	80 Å²	80	105.2 Å²	105.2	56%	0.559	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-61.3	130.6	168.9	48.3	0	0	0	0	108.4	Y46 T309	Y46-S48 PolarHBondContact O-N 3.36Å; S48-T309 WeakPolarHBondContact O-CB 3.41Å; S48-T309 WeakPolarHBondContact O-CG2 3.2Å; S48-T309 PolarHBondContact O-N 3.06Å; S48-T309 PolarHBondContact O-OG1 3.23Å; S48-T309 PolarHBondContact OG-OG1 3.43Å
49	E	65.8	Low	58.7	Low	115 Å²	115	97.2 Å²	97.2	54%	0.537	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-61.5	150.8	168.4	-64.4	-171	160.2	0	0	109	A47 D51 T307	A47-E49 PolarHBondContact O-N 3.45Å; E49-D51 PolarHBondContact O-N 3.16Å; E49-T307 CarbonylContact C-O 3.57Å; E49-T307 WeakPolarHBondContact CA-O 3.45Å
50	V	68.6	Low	61.9	Low	25 Å²	25	88.9 Å²	88.9	15%	0.152	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-65.5	123.2	174.8	-167.6	0	0	0	0	108	Q52 R56 W139 T307 S308 T309	V50-Q52 PolarHBondContact O-N 2.98Å; V50-R56 VanDerWaalsContact CB-NH1 3.32Å; V50-W139 HydrophobicContact CG1-CH2 4.34Å; V50-W139 HydrophobicContact CG2-CH2 4.47Å; V50-W139 HydrophobicContact CG2-CZ2 4.36Å; V50-T307 WeakPolarHBondContact CG2-O 3.42Å; V50-T307 PolarHBondContact N-O 3.14Å; V50-S308 WeakPolarHBondContact CG2-O 3.3Å; V50-T309 HydrophobicContact CB-CG2 4.46Å; V50-T309 HydrophobicContact CG2-CG2 3.97Å
51	D	55.1	Low	64.7	Low	142 Å²	142	83 Å²	83	76%	0.759	44%	0.443	S	S	*	.	S	Bend	trans	-51	135.7	179.5	-83.8	-27.4	0	0	0	111.9	E49 R56	E49-D51 PolarHBondContact O-N 3.16Å; D51-R56 PolarHBondContact O-NH2 3.29Å
52	Q	60.8	Low	67.4	Low	159 Å²	159	73.4 Å²	73.4	74%	0.743	41%	0.412	S	S	*	.			trans	60.3	77.7	178	-54.1	-149.6	5.3	0	0	115.4	V50 G54 R56	V50-Q52 PolarHBondContact O-N 2.98Å; Q52-G54 VanDerWaalsContact C-N 3.35Å; Q52-R56 PolarHBondContact O-NE 3.04Å
53	I	64.1	Low	70.4	Confident	23 Å²	23	70.6 Å²	70.6	12%	0.118	38%	0.383	C	S	.	.			trans	-66	-38.7	166.6	-64.1	169	0	0	0	111.1	S55 R56 K78 F80 T307	I53-S55 PolarHBondContact O-N 3.23Å; I53-R56 PolarHBondContact O-N 3.42Å; I53-K78 WeakPolarHBondContact CG2-O 3.5Å; I53-F80 HydrophobicContact CG2-CD1 4.33Å; I53-F80 HydrophobicContact CG2-CD2 3.66Å; I53-F80 HydrophobicContact CG2-CE1 4.07Å; I53-F80 HydrophobicContact CG2-CE2 3.36Å; I53-F80 HydrophobicContact CG2-CG 4.15Å; I53-F80 HydrophobicContact CG2-CZ 3.6Å; I53-T307 HydrophobicContact CD1-CG2 3.69Å; I53-T307 HydrophobicContact CG1-CG2 4.17Å
54	G	59.7	Low	73.3	Confident	43 Å²	43	66.7 Å²	66.7	44%	0.443	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	123.9	178.6	0	0	0	0	0	110.2	Q52	Q52-G54 VanDerWaalsContact C-N 3.35Å
55	S	72.3	Confident	76	Confident	72 Å²	72	58.1 Å²	58.1	50%	0.503	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-7.6	-173.6	77.1	0	0	0	0	117.8	I53	I53-S55 PolarHBondContact O-N 3.23Å
56	R	91.2	Very high	78.9	Confident	48 Å²	48	53.8 Å²	53.8	18%	0.181	31%	0.305	C	S	.	.			trans	-75.4	135.8	177.2	-71.9	-176.2	178.5	169.1	13.8	112	V50 D51 Q52 I53 F80 I81 W139	V50-R56 VanDerWaalsContact CB-NH1 3.32Å; D51-R56 PolarHBondContact O-NH2 3.29Å; Q52-R56 PolarHBondContact O-NE 3.04Å; I53-R56 PolarHBondContact O-N 3.42Å; R56-F80 HydrophobicContact CB-CD1 3.84Å; R56-F80 HydrophobicContact CB-CE1 3.83Å; R56-F80 WeakPolarHBondContact O-CA 3.42Å; R56-F80 WeakPolarHBondContact O-CD1 3.3Å; R56-I81 PolarHBondContact O-N 3.37Å; R56-W139 HydrophobicContact CB-CB 3.85Å; R56-W139 HydrophobicContact CB-CG 3.93Å; R56-W139 HydrophobicContact CG-CB 4.19Å; R56-W139 HydrophobicContact CG-CD2 4.44Å; R56-W139 HydrophobicContact CG-CG 4.11Å
57	A	96.2	Very high	81.4	Confident	6 Å²	6	44 Å²	44	5%	0.05	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.2	179.9	0	0	0	0	0	112.6	I81 Y83 L131 L138 W139 G140	A57-I81 CarbonylContact C-O 3.57Å; A57-I81 VanDerWaalsContact CA-O 3.26Å; A57-I81 WeakPolarHBondContact CA-O 3.45Å; A57-I81 HydrophobicContact CB-CB 4.25Å; A57-Y83 HydrophobicContact CB-CD2 4.39Å; A57-Y83 HydrophobicContact CB-CE2 3.87Å; A57-L131 HydrophobicContact CB-CD2 3.43Å; A57-L131 VanDerWaalsContact CB-CD2 3.43Å; A57-L138 HydrophobicContact CB-CD1 3.68Å; A57-L138 VanDerWaalsContact O-CD1 3.23Å; A57-L138 WeakPolarHBondContact O-CD1 3.32Å; A57-W139 WeakPolarHBondContact O-CA 3.42Å; A57-W139 VanDerWaalsContact O-CB 3.26Å; A57-W139 WeakPolarHBondContact O-CB 3.22Å; A57-W139 PolarHBondContact O-N 2.96Å; A57-G140 PolarHBondContact O-N 3.22Å; A57-G140 VanDerWaalsContact O-N 3.14Å
58	V	98	Very high	83.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.1	177.5	-62.8	0	0	0	0	110.8	L75 F80 I81 V82 Y83 G140 L306	V58-L75 HydrophobicContact CG2-CD1 3.85Å; V58-F80 HydrophobicContact CG1-CD1 3.61Å; V58-F80 HydrophobicContact CG1-CE1 3.83Å; V58-F80 HydrophobicContact CG1-CG 4.41Å; V58-F80 HydrophobicContact CG2-CB 4.19Å; V58-F80 HydrophobicContact CG2-CD1 4.34Å; V58-F80 HydrophobicContact CG2-CG 4.41Å; V58-I81 PolarHBondContact N-O 3.39Å; V58-V82 HydrophobicContact CG2-CB 4.49Å; V58-V82 HydrophobicContact CG2-CG2 4.08Å; V58-Y83 PolarHBondContact O-N 3.42Å; V58-G140 CarbonylContact C-O 3.58Å; V58-G140 VanDerWaalsContact CA-O 3.31Å; V58-G140 WeakPolarHBondContact CA-O 3.46Å; V58-L306 HydrophobicContact CG1-CD1 4.43Å
59	L	98.8	Very high	85.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.3	167.5	178.2	69.6	0	0	0	109.4	Y83 L112 V127 L138 G140 L141 V142 F179	L59-Y83 WeakPolarHBondContact CA-O 3.46Å; L59-Y83 WeakPolarHBondContact CD1-O 3.49Å; L59-L112 HydrophobicContact CD1-CD2 4.41Å; L59-L112 HydrophobicContact CD2-CD2 4.27Å; L59-V127 HydrophobicContact CD1-CG2 4.46Å; L59-L138 HydrophobicContact CB-CD2 3.92Å; L59-G140 PolarHBondContact N-O 2.94Å; L59-L141 HydrophobicContact CB-CD1 4.21Å; L59-L141 HydrophobicContact CD2-CD1 3.89Å; L59-L141 HydrophobicContact CG-CD1 4.16Å; L59-L141 CarbonylContact O-C 3.47Å; L59-L141 WeakPolarHBondContact O-CA 3.46Å; L59-V142 PolarHBondContact O-N 2.77Å; L59-F179 HydrophobicContact CD2-CD1 3.9Å; L59-F179 HydrophobicContact CD2-CD2 3.85Å; L59-F179 HydrophobicContact CD2-CE1 3.49Å; L59-F179 VanDerWaalsContact CD2-CE1 3.49Å; L59-F179 HydrophobicContact CD2-CE2 3.43Å; L59-F179 VanDerWaalsContact CD2-CE2 3.43Å; L59-F179 HydrophobicContact CD2-CG 4.07Å; L59-F179 HydrophobicContact CD2-CZ 3.24Å
60	I	98.9	Very high	86.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	173.2	-51.7	162.4	0	0	0	107.7	C63 L71 A72 L75 V82 Y83 G85 V142 N144	I60-C63 VanDerWaalsContact CB-SG 3.55Å; I60-C63 WeakPolarHBondContact CG2-SG 3.26Å; I60-L71 HydrophobicContact CD1-CB 4.34Å; I60-L71 HydrophobicContact CD1-CD2 3.98Å; I60-L71 HydrophobicContact CD1-CG 3.89Å; I60-L71 HydrophobicContact CG1-CD2 4.18Å; I60-L71 HydrophobicContact CG2-CD2 4.07Å; I60-A72 HydrophobicContact CD1-CB 3.97Å; I60-L75 HydrophobicContact CD1-CD1 4.07Å; I60-V82 HydrophobicContact CD1-CG1 3.88Å; I60-Y83 PolarHBondContact N-O 3.22Å; I60-G85 VanDerWaalsContact O-CA 3.31Å; I60-G85 WeakPolarHBondContact O-CA 2.96Å; I60-G85 PolarHBondContact O-N 3.43Å; I60-V142 HydrophobicContact CB-CB 4.41Å; I60-V142 HydrophobicContact CG1-CB 4.21Å; I60-V142 HydrophobicContact CG1-CG2 4.3Å; I60-V142 HydrophobicContact CG2-CB 4.21Å; I60-V142 HydrophobicContact CG2-CG1 4.4Å; I60-N144 HydrophobicContact CG2-CB 4.37Å
61	T	98.7	Very high	88.3	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.5	173.8	65.6	0	0	0	0	111.7	L112 V114 V142 N144 A145 T175	T61-L112 HydrophobicContact CG2-CD2 3.78Å; T61-V114 HydrophobicContact CG2-CG1 4.12Å; T61-V142 PolarHBondContact N-O 3.18Å; T61-N144 VanDerWaalsContact O-CB 3.24Å; T61-N144 WeakPolarHBondContact O-CB 3.29Å; T61-N144 PolarHBondContact O-ND2 3.16Å; T61-N144 PolarHBondContact OG1-N 2.69Å; T61-A145 PolarHBondContact O-N 3.25Å; T61-A145 WeakPolarHBondContact OG1-CB 3.39Å; T61-A145 PolarHBondContact OG1-N 3.43Å; T61-T175 HydrophobicContact CG2-CG2 3.94Å
62	G	96.9	Very high	90.3	Very high	20 Å²	20	28 Å²	28	21%	0.206	17%	0.174	C	C	.	.			trans	72.6	48.7	176.4	0	0	0	0	0	113.4	G85 N144	G62-G85 PolarHBondContact N-O 3.2Å; G62-N144 PolarHBondContact O-ND2 2.9Å; G62-N144 VanDerWaalsContact O-ND2 3.11Å
63	C	97	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4	-178.8	-73.7	0	0	0	0	114.8	I60 S65 G68 F69 A84 G85 C86 L99	I60-C63 VanDerWaalsContact CB-SG 3.55Å; I60-C63 WeakPolarHBondContact CG2-SG 3.26Å; C63-S65 PolarHBondContact O-N 3.41Å; C63-G68 PolarHBondContact SG-O 3.24Å; C63-G68 VanDerWaalsContact SG-O 3.38Å; C63-F69 WeakPolarHBondContact O-CB 3.37Å; C63-A84 HydrophobicContact CB-CB 3.84Å; C63-G85 PolarHBondContact N-O 3.03Å; C63-C86 VanDerWaalsContact CB-SG 3.54Å; C63-L99 HydrophobicContact CB-CD1 4.02Å
64	D	94.4	Very high	93.7	Very high	29 Å²	29	26.6 Å²	26.6	16%	0.155	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.7	179.7	-51.7	-93.5	0	0	0	113.1	C86 L87 Q88 G95	D64-C86 WeakPolarHBondContact OD1-CB 3.36Å; D64-C86 WeakPolarHBondContact OD2-CA 3.31Å; D64-L87 PolarHBondContact OD1-N 3.42Å; D64-L87 PolarHBondContact OD2-N 3.48Å; D64-Q88 PolarHBondContact OD1-N 2.8Å; D64-G95 VanDerWaalsContact O-CA 3.29Å; D64-G95 WeakPolarHBondContact O-CA 3.46Å; D64-G95 PolarHBondContact O-N 3.2Å
65	S	93.1	Very high	95.5	Very high	66 Å²	66	24.6 Å²	24.6	46%	0.462	14%	0.144	S	C	.	.	S	Bend	trans	-164	-176	178.9	65.3	0	0	0	0	112.6	C63 F69	C63-S65 PolarHBondContact O-N 3.41Å; S65-F69 PolarHBondContact O-N 3.39Å
66	G	93.5	Very high	96.6	Very high	22 Å²	22	22.3 Å²	22.3	23%	0.227	13%	0.126	C	C	.	.	H	α-helix	trans	58.4	-139	167.5	0	0	0	0	0	114.4	G68 F69 A70	G66-G68 PolarHBondContact O-N 3.48Å; G66-F69 PolarHBondContact O-N 3.12Å; G66-A70 PolarHBondContact O-N 3.3Å; G66-A70 VanDerWaalsContact O-N 3.14Å
67	F	96.3	Very high	96.8	Very high	22 Å²	22	25.3 Å²	25.3	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-42.4	-177.6	-63.1	-40.7	0	0	0	112.9	F69 A70 L71 N144 P238 F241 T245 T295 V298 I299	F67-F69 PolarHBondContact O-N 2.91Å; F67-A70 PolarHBondContact O-N 2.9Å; F67-L71 WeakPolarHBondContact O-CB 3.24Å; F67-L71 PolarHBondContact O-N 2.81Å; F67-N144 WeakPolarHBondContact CB-OD1 3.21Å; F67-P238 HydrophobicContact CE2-CB 4.35Å; F67-P238 HydrophobicContact CE2-CG 4.21Å; F67-P238 HydrophobicContact CZ-CB 4.48Å; F67-F241 HydrophobicContact CE1-CB 4.22Å; F67-F241 HydrophobicContact CE1-CD1 4.08Å; F67-F241 HydrophobicContact CE1-CG 4.13Å; F67-F241 HydrophobicContact CZ-CB 3.58Å; F67-F241 HydrophobicContact CZ-CD1 4.02Å; F67-F241 AromaticContact CZ-CD2 3.91Å; F67-F241 HydrophobicContact CZ-CD2 3.91Å; F67-F241 AromaticContact CZ-CG 3.59Å; F67-F241 HydrophobicContact CZ-CG 3.59Å; F67-T245 HydrophobicContact CD1-CG2 4.26Å; F67-T245 HydrophobicContact CD2-CG2 4Å; F67-T245 HydrophobicContact CE1-CG2 3.94Å; F67-T245 HydrophobicContact CE2-CG2 3.66Å; F67-T245 HydrophobicContact CG-CG2 4.28Å; F67-T245 HydrophobicContact CZ-CG2 3.63Å; F67-T295 HydrophobicContact CD1-CG2 3.9Å; F67-T295 HydrophobicContact CE1-CG2 3.68Å; F67-V298 HydrophobicContact CD1-CB 4.14Å; F67-V298 HydrophobicContact CD1-CG1 4.05Å; F67-V298 HydrophobicContact CD1-CG2 4.43Å; F67-V298 HydrophobicContact CD2-CG1 4.18Å; F67-V298 HydrophobicContact CE1-CB 3.95Å; F67-V298 HydrophobicContact CE1-CG1 4.15Å; F67-V298 HydrophobicContact CE1-CG2 3.75Å; F67-V298 HydrophobicContact CE2-CG1 4.28Å; F67-V298 HydrophobicContact CE2-CG2 4.41Å; F67-V298 HydrophobicContact CG-CG1 4.07Å; F67-V298 HydrophobicContact CZ-CB 4.29Å; F67-V298 HydrophobicContact CZ-CG1 4.26Å; F67-V298 HydrophobicContact CZ-CG2 3.74Å; F67-I299 HydrophobicContact CB-CD1 4.49Å; F67-I299 WeakPolarHBondContact O-CD1 3.11Å
68	G	97	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-43	-177.9	0	0	0	0	0	112.2	C63 G66 A72 N144	C63-G68 PolarHBondContact SG-O 3.24Å; C63-G68 VanDerWaalsContact SG-O 3.38Å; G66-G68 PolarHBondContact O-N 3.48Å; G68-A72 WeakPolarHBondContact O-CB 3.18Å; G68-A72 PolarHBondContact O-N 3.15Å; G68-N144 WeakPolarHBondContact CA-ND2 3.39Å; G68-N144 PolarHBondContact N-ND2 2.85Å
69	F	96.8	Very high	96.4	Very high	43 Å²	43	29.6 Å²	29.6	19%	0.189	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-50.4	175.9	-180	-96.8	0	0	0	112.1	C63 S65 G66 F67 L71 A72 K73 G95 D98 L99	C63-F69 WeakPolarHBondContact O-CB 3.37Å; S65-F69 PolarHBondContact O-N 3.39Å; G66-F69 PolarHBondContact O-N 3.12Å; F67-F69 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 3.19Å; F69-A72 PolarHBondContact O-N 3.34Å; F69-K73 HydrophobicContact CD1-CD 4.29Å; F69-K73 HydrophobicContact CE1-CD 3.67Å; F69-K73 HydrophobicContact CZ-CD 3.83Å; F69-K73 PolarHBondContact O-N 3.39Å; F69-G95 WeakPolarHBondContact CE2-O 3.44Å; F69-D98 HydrophobicContact CE2-CB 3.85Å; F69-D98 HydrophobicContact CZ-CB 3.95Å; F69-L99 HydrophobicContact CD2-CD1 4.02Å; F69-L99 HydrophobicContact CD2-CD2 3.94Å; F69-L99 HydrophobicContact CD2-CG 3.79Å; F69-L99 HydrophobicContact CE2-CD1 4.43Å; F69-L99 HydrophobicContact CE2-CD2 3.82Å; F69-L99 HydrophobicContact CE2-CG 3.71Å
70	A	97.1	Very high	96.2	Very high	29 Å²	29	29.6 Å²	29.6	24%	0.24	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-39.5	179.4	0	0	0	0	0	111.9	G66 F67 K73 H74 I299	G66-A70 PolarHBondContact O-N 3.3Å; G66-A70 VanDerWaalsContact O-N 3.14Å; F67-A70 PolarHBondContact O-N 2.9Å; A70-K73 PolarHBondContact O-N 3.12Å; A70-H74 WeakPolarHBondContact O-CB 3.06Å; A70-H74 PolarHBondContact O-N 3.44Å; A70-I299 HydrophobicContact CB-CD1 3.97Å; A70-I299 HydrophobicContact CB-CG1 4.28Å
71	L	98.3	Very high	96.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-44.2	177.2	-177.5	64.3	0	0	0	111.6	I60 F67 F69 K73 H74 L75 V142 I299 V302	I60-L71 HydrophobicContact CD1-CB 4.34Å; I60-L71 HydrophobicContact CD1-CD2 3.98Å; I60-L71 HydrophobicContact CD1-CG 3.89Å; I60-L71 HydrophobicContact CG1-CD2 4.18Å; I60-L71 HydrophobicContact CG2-CD2 4.07Å; F67-L71 WeakPolarHBondContact O-CB 3.24Å; F67-L71 PolarHBondContact O-N 2.81Å; F69-L71 VanDerWaalsContact C-N 3.32Å; F69-L71 PolarHBondContact O-N 3.19Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.32Å; L71-H74 PolarHBondContact O-N 2.93Å; L71-H74 VanDerWaalsContact O-N 3.16Å; L71-L75 HydrophobicContact CD1-CD1 3.97Å; L71-L75 HydrophobicContact CD1-CD2 4.21Å; L71-L75 HydrophobicContact CD1-CG 3.82Å; L71-L75 HydrophobicContact CD2-CD1 4.44Å; L71-L75 HydrophobicContact CG-CD1 3.95Å; L71-L75 HydrophobicContact CG-CG 4.13Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.17Å; L71-V142 HydrophobicContact CD2-CB 4.33Å; L71-V142 HydrophobicContact CD2-CG1 3.82Å; L71-V142 HydrophobicContact CD2-CG2 4.23Å; L71-I299 HydrophobicContact CB-CD1 3.84Å; L71-I299 HydrophobicContact CD1-CD1 4.49Å; L71-I299 HydrophobicContact CD1-CG2 3.98Å; L71-V302 HydrophobicContact CD1-CB 3.9Å; L71-V302 HydrophobicContact CD1-CG1 3.82Å; L71-V302 HydrophobicContact CD2-CB 4.2Å; L71-V302 HydrophobicContact CD2-CG1 3.55Å; L71-V302 HydrophobicContact CD2-CG2 4.49Å; L71-V302 HydrophobicContact CG-CG1 4.33Å
72	A	98.2	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-50.1	178.1	0	0	0	0	0	110.7	I60 G68 F69 H74 L75 H76 V82 A84 L99 M107	I60-A72 HydrophobicContact CD1-CB 3.97Å; G68-A72 WeakPolarHBondContact O-CB 3.18Å; G68-A72 PolarHBondContact O-N 3.15Å; F69-A72 PolarHBondContact O-N 3.34Å; A72-H74 PolarHBondContact O-N 2.8Å; A72-L75 PolarHBondContact O-N 3.49Å; A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-N 3.17Å; A72-V82 HydrophobicContact CB-CG1 3.92Å; A72-A84 HydrophobicContact CB-CB 4.37Å; A72-L99 HydrophobicContact CB-CD1 4.32Å; A72-L99 HydrophobicContact CB-CD2 4.13Å; A72-M107 HydrophobicContact CB-CE 4.06Å; A72-M107 HydrophobicContact CB-SD 4.36Å; A72-M107 VanDerWaalsContact O-CE 3.32Å; A72-M107 WeakPolarHBondContact O-CE 3.35Å
73	K	97.8	Very high	96.1	Very high	96 Å²	96	29.2 Å²	29.2	42%	0.417	17%	0.165	S	C	.	.	H	α-helix	trans	-61.1	-43.1	176.7	-64.1	-177.9	70	171	0	112	F69 A70 L71 H76 T77 L99 M102	F69-K73 HydrophobicContact CD1-CD 4.29Å; F69-K73 HydrophobicContact CE1-CD 3.67Å; F69-K73 HydrophobicContact CZ-CD 3.83Å; F69-K73 PolarHBondContact O-N 3.39Å; A70-K73 PolarHBondContact O-N 3.12Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.32Å; K73-H76 WeakPolarHBondContact O-CB 3.28Å; K73-H76 PolarHBondContact O-N 3.19Å; K73-T77 WeakPolarHBondContact O-CG2 3.47Å; K73-T77 PolarHBondContact O-N 3.46Å; K73-T77 VanDerWaalsContact O-N 3.08Å; K73-L99 HydrophobicContact CD-CD2 4.44Å; K73-L99 HydrophobicContact CG-CD2 3.8Å; K73-M102 HydrophobicContact CG-SD 4.01Å
74	H	97.3	Very high	96.2	Very high	56 Å²	56	29.2 Å²	29.2	26%	0.259	17%	0.165	S	C	.	.	H	α-helix	trans	-66.8	-41.9	-179.7	-175.1	89.5	0	0	0	113.3	A70 L71 A72 H76 T77 K78 I299	A70-H74 WeakPolarHBondContact O-CB 3.06Å; A70-H74 PolarHBondContact O-N 3.44Å; L71-H74 PolarHBondContact O-N 2.93Å; L71-H74 VanDerWaalsContact O-N 3.16Å; A72-H74 PolarHBondContact O-N 2.8Å; H74-H76 VanDerWaalsContact C-N 3.28Å; H74-H76 PolarHBondContact O-N 2.98Å; H74-T77 PolarHBondContact O-N 3.33Å; H74-T77 PolarHBondContact O-OG1 3.13Å; H74-K78 WeakPolarHBondContact NE2-CE 3.26Å; H74-K78 PolarHBondContact O-N 3.37Å; H74-I299 HydrophobicContact CB-CG2 3.48Å; H74-I299 VanDerWaalsContact CB-CG2 3.48Å; H74-I299 VanDerWaalsContact CG-CG2 3.41Å
75	L	96.9	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-32.2	176.3	-64.6	-175.5	0	0	0	111.3	V58 I60 L71 A72 K78 G79 F80 V82 A303 L306	V58-L75 HydrophobicContact CG2-CD1 3.85Å; I60-L75 HydrophobicContact CD1-CD1 4.07Å; L71-L75 HydrophobicContact CD1-CD1 3.97Å; L71-L75 HydrophobicContact CD1-CD2 4.21Å; L71-L75 HydrophobicContact CD1-CG 3.82Å; L71-L75 HydrophobicContact CD2-CD1 4.44Å; L71-L75 HydrophobicContact CG-CD1 3.95Å; L71-L75 HydrophobicContact CG-CG 4.13Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 3.17Å; A72-L75 PolarHBondContact O-N 3.49Å; L75-K78 CarbonylContact O-C 3.55Å; L75-K78 PolarHBondContact O-N 2.89Å; L75-G79 PolarHBondContact O-N 2.6Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CB-CD2 3.95Å; L75-F80 HydrophobicContact CB-CG 4.32Å; L75-F80 HydrophobicContact CD2-CD2 4.03Å; L75-F80 HydrophobicContact CD2-CE2 3.99Å; L75-F80 HydrophobicContact CG-CD2 4.49Å; L75-F80 WeakPolarHBondContact O-CB 3.11Å; L75-F80 WeakPolarHBondContact O-CD2 3.16Å; L75-F80 PolarHBondContact O-N 3.49Å; L75-F80 VanDerWaalsContact O-N 3.14Å; L75-V82 HydrophobicContact CB-CG2 3.91Å; L75-A303 HydrophobicContact CD2-CB 4.12Å; L75-L306 HydrophobicContact CD1-CD1 3.45Å; L75-L306 VanDerWaalsContact CD1-CD1 3.45Å; L75-L306 HydrophobicContact CD2-CD1 4.06Å; L75-L306 HydrophobicContact CG-CD1 4.44Å
76	H	96.4	Very high	96.5	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.116	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-43.1	171.6	176.3	-86.6	0	0	0	112.4	A72 K73 H74 K78 G79 V82 M102 S104 R106 M107	A72-H76 WeakPolarHBondContact O-CB 3.49Å; A72-H76 PolarHBondContact O-N 3.17Å; K73-H76 WeakPolarHBondContact O-CB 3.28Å; K73-H76 PolarHBondContact O-N 3.19Å; H74-H76 VanDerWaalsContact C-N 3.28Å; H74-H76 PolarHBondContact O-N 2.98Å; H76-K78 PolarHBondContact O-N 3.33Å; H76-G79 PolarHBondContact O-N 3.29Å; H76-V82 HydrophobicContact CB-CG2 4.29Å; H76-M102 HydrophobicContact CB-CE 4.27Å; H76-M102 WeakPolarHBondContact ND1-CE 3.15Å; H76-S104 VanDerWaalsContact NE2-CB 3.32Å; H76-S104 WeakPolarHBondContact NE2-CB 3.47Å; H76-S104 PolarHBondContact NE2-OG 2.96Å; H76-R106 PolarHBondContact O-NH1 2.91Å; H76-R106 PolarHBondContact O-NH2 3.14Å; H76-M107 HydrophobicContact CB-CE 3.61Å
77	T	94.6	Very high	96.6	Very high	110 Å²	110	27.7 Å²	27.7	68%	0.675	15%	0.146	S	C	*	.	H	α-helix	trans	-66.2	-24.7	175.4	66.2	0	0	0	0	112.8	K73 H74 G79	K73-T77 WeakPolarHBondContact O-CG2 3.47Å; K73-T77 PolarHBondContact O-N 3.46Å; K73-T77 VanDerWaalsContact O-N 3.08Å; H74-T77 PolarHBondContact O-N 3.33Å; H74-T77 PolarHBondContact O-OG1 3.13Å; T77-G79 VanDerWaalsContact C-N 3.29Å; T77-G79 PolarHBondContact O-N 3.36Å
78	K	93.2	Very high	96.2	Very high	78 Å²	78	30 Å²	30	34%	0.339	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.9	172.5	-73.4	-172.4	173.4	-77.1	0	114.7	I53 H74 L75 H76 F80 A303	I53-K78 WeakPolarHBondContact CG2-O 3.5Å; H74-K78 WeakPolarHBondContact NE2-CE 3.26Å; H74-K78 PolarHBondContact O-N 3.37Å; L75-K78 CarbonylContact O-C 3.55Å; L75-K78 PolarHBondContact O-N 2.89Å; H76-K78 PolarHBondContact O-N 3.33Å; K78-F80 HydrophobicContact CB-CD2 4.05Å; K78-F80 HydrophobicContact CB-CE2 4.26Å; K78-A303 HydrophobicContact CD-CB 4.35Å
79	G	93.3	Very high	95.8	Very high	18 Å²	18	32.5 Å²	32.5	19%	0.186	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	5.8	175.5	0	0	0	0	0	115.5	L75 H76 T77 R106	L75-G79 PolarHBondContact O-N 2.6Å; H76-G79 PolarHBondContact O-N 3.29Å; T77-G79 VanDerWaalsContact C-N 3.29Å; T77-G79 PolarHBondContact O-N 3.36Å; G79-R106 VanDerWaalsContact C-NH1 3.3Å; G79-R106 VanDerWaalsContact CA-NH1 3.31Å
80	F	95.1	Very high	95.5	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.189	C	C	.	.			trans	-68	152.6	174.3	-74.1	-86.7	0	0	0	111.7	I53 R56 V58 L75 K78 V82 R106 W139 L306 T307	I53-F80 HydrophobicContact CG2-CD1 4.33Å; I53-F80 HydrophobicContact CG2-CD2 3.66Å; I53-F80 HydrophobicContact CG2-CE1 4.07Å; I53-F80 HydrophobicContact CG2-CE2 3.36Å; I53-F80 HydrophobicContact CG2-CG 4.15Å; I53-F80 HydrophobicContact CG2-CZ 3.6Å; R56-F80 HydrophobicContact CB-CD1 3.84Å; R56-F80 HydrophobicContact CB-CE1 3.83Å; R56-F80 WeakPolarHBondContact O-CA 3.42Å; R56-F80 WeakPolarHBondContact O-CD1 3.3Å; V58-F80 HydrophobicContact CG1-CD1 3.61Å; V58-F80 HydrophobicContact CG1-CE1 3.83Å; V58-F80 HydrophobicContact CG1-CG 4.41Å; V58-F80 HydrophobicContact CG2-CB 4.19Å; V58-F80 HydrophobicContact CG2-CD1 4.34Å; V58-F80 HydrophobicContact CG2-CG 4.41Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CB-CD2 3.95Å; L75-F80 HydrophobicContact CB-CG 4.32Å; L75-F80 HydrophobicContact CD2-CD2 4.03Å; L75-F80 HydrophobicContact CD2-CE2 3.99Å; L75-F80 HydrophobicContact CG-CD2 4.49Å; L75-F80 WeakPolarHBondContact O-CB 3.11Å; L75-F80 WeakPolarHBondContact O-CD2 3.16Å; L75-F80 PolarHBondContact O-N 3.49Å; L75-F80 VanDerWaalsContact O-N 3.14Å; K78-F80 HydrophobicContact CB-CD2 4.05Å; K78-F80 HydrophobicContact CB-CE2 4.26Å; F80-V82 HydrophobicContact CB-CG2 4.05Å; F80-R106 PolarHBondContact O-NH1 3Å; F80-W139 AromaticContact CE1-CD1 3.75Å; F80-L306 HydrophobicContact CZ-CB 4.42Å; F80-T307 HydrophobicContact CE2-CG2 3.89Å; F80-T307 HydrophobicContact CZ-CG2 3.76Å
81	I	96	Very high	94.9	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.7	156.6	-58.8	168.8	0	0	0	106.2	R56 A57 V58 Y83 R106	R56-I81 PolarHBondContact O-N 3.37Å; A57-I81 CarbonylContact C-O 3.57Å; A57-I81 VanDerWaalsContact CA-O 3.26Å; A57-I81 WeakPolarHBondContact CA-O 3.45Å; A57-I81 HydrophobicContact CB-CB 4.25Å; V58-I81 PolarHBondContact N-O 3.39Å; I81-Y83 HydrophobicContact CG2-CE2 4.07Å; I81-R106 CarbonylContact C-O 3.56Å; I81-R106 WeakPolarHBondContact CA-O 3.32Å; I81-R106 HydrophobicContact CG1-CG 4.21Å
82	V	97.7	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.7	-175.4	-179.2	0	0	0	0	109.1	V58 I60 A72 L75 H76 F80 A84 R106 M107 R108	V58-V82 HydrophobicContact CG2-CB 4.49Å; V58-V82 HydrophobicContact CG2-CG2 4.08Å; I60-V82 HydrophobicContact CD1-CG1 3.88Å; A72-V82 HydrophobicContact CB-CG1 3.92Å; L75-V82 HydrophobicContact CB-CG2 3.91Å; H76-V82 HydrophobicContact CB-CG2 4.29Å; F80-V82 HydrophobicContact CB-CG2 4.05Å; V82-A84 HydrophobicContact CG1-CB 4.46Å; V82-R106 PolarHBondContact N-O 2.98Å; V82-M107 HydrophobicContact CB-CE 4.16Å; V82-M107 HydrophobicContact CB-SD 3.99Å; V82-M107 HydrophobicContact CG1-CE 4.22Å; V82-M107 HydrophobicContact CG1-SD 3.92Å; V82-R108 PolarHBondContact O-N 2.9Å
83	Y	98.2	Very high	92.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.4	161.3	-63	-80.8	0	0	0	108.2	A57 V58 L59 I60 I81 R108 V110 V127 S130 L131 L138	A57-Y83 HydrophobicContact CB-CD2 4.39Å; A57-Y83 HydrophobicContact CB-CE2 3.87Å; V58-Y83 PolarHBondContact O-N 3.42Å; L59-Y83 WeakPolarHBondContact CA-O 3.46Å; L59-Y83 WeakPolarHBondContact CD1-O 3.49Å; I60-Y83 PolarHBondContact N-O 3.22Å; I81-Y83 HydrophobicContact CG2-CE2 4.07Å; Y83-R108 CarbonylContact C-O 3.52Å; Y83-R108 VanDerWaalsContact CA-O 3.23Å; Y83-R108 WeakPolarHBondContact CA-O 3.22Å; Y83-R108 HydrophobicContact CD1-CB 3.89Å; Y83-R108 HydrophobicContact CE1-CB 4.11Å; Y83-R108 HydrophobicContact CE1-CG 4.44Å; Y83-R108 PolarHBondContact OH-NH1 3.09Å; Y83-V110 HydrophobicContact CD1-CG2 4Å; Y83-V127 HydrophobicContact CD1-CG2 3.85Å; Y83-V127 HydrophobicContact CD2-CG1 3.99Å; Y83-V127 HydrophobicContact CD2-CG2 4.33Å; Y83-V127 HydrophobicContact CE1-CG2 4.32Å; Y83-V127 HydrophobicContact CE2-CG1 3.93Å; Y83-V127 HydrophobicContact CG-CG1 4.35Å; Y83-V127 HydrophobicContact CG-CG2 3.86Å; Y83-S130 WeakPolarHBondContact CE1-OG 3.44Å; Y83-S130 PolarHBondContact OH-O 3.07Å; Y83-S130 PolarHBondContact OH-OG 2.78Å; Y83-L131 HydrophobicContact CE2-CD2 4.17Å; Y83-L138 HydrophobicContact CD2-CD1 4.28Å; Y83-L138 HydrophobicContact CE2-CD1 4.48Å
84	A	98.4	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	98.8	179.6	0	0	0	0	0	109.8	C63 A72 V82 C86 L99 M107 R108 T109 V110	C63-A84 HydrophobicContact CB-CB 3.84Å; A72-A84 HydrophobicContact CB-CB 4.37Å; V82-A84 HydrophobicContact CG1-CB 4.46Å; A84-C86 PolarHBondContact O-N 3.04Å; A84-L99 HydrophobicContact CB-CD1 3.7Å; A84-M107 HydrophobicContact CB-SD 4.25Å; A84-R108 PolarHBondContact N-O 2.98Å; A84-T109 HydrophobicContact CB-CG2 4.29Å; A84-T109 CarbonylContact O-C 3.28Å; A84-T109 WeakPolarHBondContact O-CA 3.47Å; A84-V110 PolarHBondContact O-N 3.31Å
85	G	98.1	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	112.2	176.2	0	0	0	0	0	111	I60 G62 C63 V110	I60-G85 VanDerWaalsContact O-CA 3.31Å; I60-G85 WeakPolarHBondContact O-CA 2.96Å; I60-G85 PolarHBondContact O-N 3.43Å; G62-G85 PolarHBondContact N-O 3.2Å; C63-G85 PolarHBondContact N-O 3.03Å; G85-V110 CarbonylContact C-O 3.54Å; G85-V110 WeakPolarHBondContact CA-O 3.18Å
86	C	97.3	Very high	91.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.4	-176.8	-65.3	0	0	0	0	110.1	C63 D64 A84 Q88 K89 V110 L112	C63-C86 VanDerWaalsContact CB-SG 3.54Å; D64-C86 WeakPolarHBondContact OD1-CB 3.36Å; D64-C86 WeakPolarHBondContact OD2-CA 3.31Å; A84-C86 PolarHBondContact O-N 3.04Å; C86-Q88 VanDerWaalsContact C-N 3.3Å; C86-K89 HydrophobicContact CB-CB 4.1Å; C86-V110 PolarHBondContact N-O 2.85Å; C86-L112 PolarHBondContact O-N 3.23Å
87	L	94.1	Very high	91.2	Very high	85 Å²	85	46.7 Å²	46.7	45%	0.445	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.4	176.7	-178.8	63.3	0	0	0	111.7	D64 Q111 N113	D64-L87 PolarHBondContact OD1-N 3.42Å; D64-L87 PolarHBondContact OD2-N 3.48Å; L87-Q111 PolarHBondContact O-NE2 3.44Å; L87-Q111 PolarHBondContact O-OE1 2.86Å; L87-N113 HydrophobicContact CD1-CB 3.64Å
88	Q	89.1	Confident	91.2	Very high	72 Å²	72	45.9 Å²	45.9	34%	0.336	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	17.8	-171.5	-52.3	-175.9	22.3	0	0	113.3	D64 C86 D90 K91 G92 D93	D64-Q88 PolarHBondContact OD1-N 2.8Å; C86-Q88 VanDerWaalsContact C-N 3.3Å; Q88-D90 VanDerWaalsContact C-N 3.29Å; Q88-D90 PolarHBondContact O-N 3.42Å; Q88-K91 HydrophobicContact CB-CD 4.45Å; Q88-K91 WeakPolarHBondContact O-CB 3.43Å; Q88-K91 PolarHBondContact O-N 3.39Å; Q88-G92 PolarHBondContact O-N 3.36Å; Q88-D93 VanDerWaalsContact CB-OD1 3.28Å; Q88-D93 WeakPolarHBondContact CB-OD1 3.07Å; Q88-D93 PolarHBondContact OE1-OD1 3.08Å; Q88-D93 VanDerWaalsContact OE1-OD1 3.1Å
89	K	89.1	Confident	91.3	Very high	51 Å²	51	42.2 Å²	42.2	22%	0.222	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-53.6	-44.8	-177.3	173.7	57.2	-176.1	81.3	0	112.8	C86 K91 G92 D100 T109 Q111	C86-K89 HydrophobicContact CB-CB 4.1Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 PolarHBondContact O-N 2.9Å; K89-G92 PolarHBondContact O-N 3.39Å; K89-G92 VanDerWaalsContact O-N 3.14Å; K89-D100 WeakPolarHBondContact CE-OD2 3.4Å; K89-D100 IonicContact NZ-OD2 3.25Å; K89-D100 PolarHBondContact NZ-OD2 2.81Å; K89-T109 WeakPolarHBondContact CD-OG1 3.25Å; K89-T109 WeakPolarHBondContact CE-OG1 3.35Å; K89-Q111 HydrophobicContact CB-CB 4.07Å; K89-Q111 HydrophobicContact CG-CB 4.41Å; K89-Q111 VanDerWaalsContact N-OE1 3.09Å
90	D	89.7	Confident	91.3	Very high	118 Å²	118	44 Å²	44	63%	0.631	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-73.5	-18.9	-176.8	-70.3	-10.3	0	0	0	113	Q88 G92 Q111	Q88-D90 VanDerWaalsContact C-N 3.29Å; Q88-D90 PolarHBondContact O-N 3.42Å; D90-G92 VanDerWaalsContact C-N 3.31Å; D90-Q111 VanDerWaalsContact N-OE1 3.07Å; D90-Q111 WeakPolarHBondContact OD2-CG 3.09Å
91	K	85.2	Confident	91.3	Very high	157 Å²	157	48.4 Å²	48.4	68%	0.683	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-78.3	-19	172.1	-61.4	-176.1	-179.5	179.5	0	112.3	Q88 K89 D93	Q88-K91 HydrophobicContact CB-CD 4.45Å; Q88-K91 WeakPolarHBondContact O-CB 3.43Å; Q88-K91 PolarHBondContact O-N 3.39Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 PolarHBondContact O-N 2.9Å; K91-D93 VanDerWaalsContact C-N 3.32Å; K91-D93 PolarHBondContact O-N 3.47Å
92	G	78.2	Confident	91.3	Very high	39 Å²	39	50.6 Å²	50.6	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	29.4	176.8	0	0	0	0	0	113.9	Q88 K89 D90	Q88-G92 PolarHBondContact O-N 3.36Å; K89-G92 PolarHBondContact O-N 3.39Å; K89-G92 VanDerWaalsContact O-N 3.14Å; D90-G92 VanDerWaalsContact C-N 3.31Å
93	D	76.2	Confident	91	Very high	65 Å²	65	57.7 Å²	57.7	35%	0.348	31%	0.312	S	S	.	.			trans	-118.9	171.8	-179.4	64.4	10.6	0	0	0	112.7	Q88 K91 S96	Q88-D93 VanDerWaalsContact CB-OD1 3.28Å; Q88-D93 WeakPolarHBondContact CB-OD1 3.07Å; Q88-D93 PolarHBondContact OE1-OD1 3.08Å; Q88-D93 VanDerWaalsContact OE1-OD1 3.1Å; K91-D93 VanDerWaalsContact C-N 3.32Å; K91-D93 PolarHBondContact O-N 3.47Å; D93-S96 PolarHBondContact O-OG 2.96Å
94	G	79.3	Confident	90.8	Very high	51 Å²	51	59 Å²	59	53%	0.526	32%	0.321	S	S	.	.	H	α-helix	trans	59.2	-147.2	174	0	0	0	0	0	114.8	S96 K97	G94-S96 VanDerWaalsContact C-N 3.25Å; G94-S96 PolarHBondContact O-N 3.31Å; G94-K97 PolarHBondContact O-N 3.14Å
95	G	87.9	Confident	90.6	Very high	8 Å²	8	64.8 Å²	64.8	8%	0.082	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-25.1	-175.1	0	0	0	0	0	114.3	D64 F69 K97 D98 L99	D64-G95 VanDerWaalsContact O-CA 3.29Å; D64-G95 WeakPolarHBondContact O-CA 3.46Å; D64-G95 PolarHBondContact O-N 3.2Å; F69-G95 WeakPolarHBondContact CE2-O 3.44Å; G95-K97 VanDerWaalsContact C-N 3.35Å; G95-K97 PolarHBondContact O-N 2.73Å; G95-D98 PolarHBondContact O-N 3.07Å; G95-L99 VanDerWaalsContact O-CG 3.29Å; G95-L99 WeakPolarHBondContact O-CG 3.07Å; G95-L99 PolarHBondContact O-N 3.02Å
96	S	92.2	Very high	90.4	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-43.1	176.5	71.7	0	0	0	0	112	D93 G94 D98 L99 D100	D93-S96 PolarHBondContact O-OG 2.96Å; G94-S96 VanDerWaalsContact C-N 3.25Å; G94-S96 PolarHBondContact O-N 3.31Å; S96-D98 PolarHBondContact O-N 3.36Å; S96-L99 PolarHBondContact O-N 2.82Å; S96-D100 PolarHBondContact O-N 3.14Å
97	K	93.1	Very high	90.4	Very high	113 Å²	113	68.6 Å²	68.6	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-41.2	176.5	-173.3	-179.6	-177.3	174	0	111.9	G94 G95 L99 D100 N101	G94-K97 PolarHBondContact O-N 3.14Å; G95-K97 VanDerWaalsContact C-N 3.35Å; G95-K97 PolarHBondContact O-N 2.73Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 2.64Å; K97-D100 PolarHBondContact O-N 2.94Å; K97-N101 WeakPolarHBondContact O-CB 3.35Å; K97-N101 PolarHBondContact O-N 3.28Å; K97-N101 PolarHBondContact O-ND2 3.43Å; K97-N101 VanDerWaalsContact O-ND2 3.16Å
98	D	94.1	Very high	90.5	Very high	94 Å²	94	68.1 Å²	68.1	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-36.3	177.8	-73.9	-10.3	0	0	0	112.3	F69 G95 S96	F69-D98 HydrophobicContact CE2-CB 3.85Å; F69-D98 HydrophobicContact CZ-CB 3.95Å; G95-D98 PolarHBondContact O-N 3.07Å; S96-D98 PolarHBondContact O-N 3.36Å
99	L	95.8	Very high	90.9	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-68.2	-41.3	173.2	-67	174.4	0	0	0	111.5	C63 F69 A72 K73 A84 G95 S96 K97 N101 M102 M107 T109	C63-L99 HydrophobicContact CB-CD1 4.02Å; F69-L99 HydrophobicContact CD2-CD1 4.02Å; F69-L99 HydrophobicContact CD2-CD2 3.94Å; F69-L99 HydrophobicContact CD2-CG 3.79Å; F69-L99 HydrophobicContact CE2-CD1 4.43Å; F69-L99 HydrophobicContact CE2-CD2 3.82Å; F69-L99 HydrophobicContact CE2-CG 3.71Å; A72-L99 HydrophobicContact CB-CD1 4.32Å; A72-L99 HydrophobicContact CB-CD2 4.13Å; K73-L99 HydrophobicContact CD-CD2 4.44Å; K73-L99 HydrophobicContact CG-CD2 3.8Å; A84-L99 HydrophobicContact CB-CD1 3.7Å; G95-L99 VanDerWaalsContact O-CG 3.29Å; G95-L99 WeakPolarHBondContact O-CG 3.07Å; G95-L99 PolarHBondContact O-N 3.02Å; S96-L99 PolarHBondContact O-N 2.82Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 2.64Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.82Å; L99-M102 HydrophobicContact CD2-SD 4.09Å; L99-M102 VanDerWaalsContact O-CB 3.29Å; L99-M102 WeakPolarHBondContact O-CB 3.38Å; L99-M102 WeakPolarHBondContact O-CG 3.5Å; L99-M102 PolarHBondContact O-N 3.19Å; L99-M107 HydrophobicContact CB-CG 4.3Å; L99-M107 HydrophobicContact CB-SD 4.47Å; L99-M107 HydrophobicContact CD2-CE 4.13Å; L99-M107 HydrophobicContact CD2-SD 4.19Å; L99-T109 HydrophobicContact CB-CG2 3.67Å; L99-T109 HydrophobicContact CD1-CG2 4.38Å
100	D	93.7	Very high	91.2	Very high	56 Å²	56	63 Å²	63	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-40.8	174.7	-75.1	-18.6	0	0	0	111.7	K89 S96 K97 M102 N103 T109	K89-D100 WeakPolarHBondContact CE-OD2 3.4Å; K89-D100 IonicContact NZ-OD2 3.25Å; K89-D100 PolarHBondContact NZ-OD2 2.81Å; S96-D100 PolarHBondContact O-N 3.14Å; K97-D100 PolarHBondContact O-N 2.94Å; D100-M102 PolarHBondContact O-N 3.18Å; D100-N103 PolarHBondContact O-N 3.21Å; D100-T109 WeakPolarHBondContact OD1-CB 3.48Å; D100-T109 WeakPolarHBondContact OD1-CG2 3.39Å; D100-T109 PolarHBondContact OD1-OG1 3.02Å
101	N	94.8	Very high	91.6	Very high	92 Å²	92	58.6 Å²	58.6	49%	0.492	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	178.5	-72.2	-26.7	0	0	0	114	K97 L99 N103	K97-N101 WeakPolarHBondContact O-CB 3.35Å; K97-N101 PolarHBondContact O-N 3.28Å; K97-N101 PolarHBondContact O-ND2 3.43Å; K97-N101 VanDerWaalsContact O-ND2 3.16Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.82Å; N101-N103 PolarHBondContact O-N 3.35Å; N101-N103 PolarHBondContact O-ND2 2.92Å
102	M	94.9	Very high	92.2	Very high	59 Å²	59	51.4 Å²	51.4	29%	0.291	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	170.3	-65.2	-179.9	56.5	0	0	112.4	K73 H76 L99 D100 S104 M107	K73-M102 HydrophobicContact CG-SD 4.01Å; H76-M102 HydrophobicContact CB-CE 4.27Å; H76-M102 WeakPolarHBondContact ND1-CE 3.15Å; L99-M102 HydrophobicContact CD2-SD 4.09Å; L99-M102 VanDerWaalsContact O-CB 3.29Å; L99-M102 WeakPolarHBondContact O-CB 3.38Å; L99-M102 WeakPolarHBondContact O-CG 3.5Å; L99-M102 PolarHBondContact O-N 3.19Å; D100-M102 PolarHBondContact O-N 3.18Å; M102-S104 VanDerWaalsContact C-N 3.26Å; M102-S104 PolarHBondContact O-N 2.89Å; M102-M107 HydrophobicContact CE-CE 4.04Å; M102-M107 HydrophobicContact SD-CE 3.88Å; M102-M107 HydrophobicContact SD-CG 4.16Å
103	N	92.5	Very high	93.2	Very high	148 Å²	148	51.8 Å²	51.8	79%	0.791	28%	0.275	S	S	*	.			trans	50.2	42.7	175.8	-66.3	-59.8	0	0	0	113.4	D100 N101	D100-N103 PolarHBondContact O-N 3.21Å; N101-N103 PolarHBondContact O-N 3.35Å; N101-N103 PolarHBondContact O-ND2 2.92Å
104	S	94.3	Very high	94.2	Very high	29 Å²	29	49 Å²	49	20%	0.203	26%	0.261	C	S	.	.			trans	-119.2	132	178.4	176.4	0	0	0	0	110.7	H76 M102 R106 M107	H76-S104 VanDerWaalsContact NE2-CB 3.32Å; H76-S104 WeakPolarHBondContact NE2-CB 3.47Å; H76-S104 PolarHBondContact NE2-OG 2.96Å; M102-S104 VanDerWaalsContact C-N 3.26Å; M102-S104 PolarHBondContact O-N 2.89Å; S104-R106 PolarHBondContact O-N 2.87Å; S104-R106 VanDerWaalsContact O-N 3.15Å; S104-R106 PolarHBondContact OG-N 2.82Å; S104-M107 PolarHBondContact O-N 2.9Å; S104-M107 VanDerWaalsContact O-O 3.06Å
105	D	92.6	Very high	95.2	Very high	122 Å²	122	48.4 Å²	48.4	65%	0.652	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.3	170.4	61.4	-20.8	0	0	0	115	R108	D105-R108 PolarHBondContact O-NE 3.07Å; D105-R108 PolarHBondContact O-NH2 3.34Å
106	R	94.6	Very high	95.7	Very high	69 Å²	69	50.9 Å²	50.9	26%	0.26	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.8	176	-63.2	-169.4	-62.4	104.2	-2.6	114.1	H76 G79 F80 I81 V82 S104	H76-R106 PolarHBondContact O-NH1 2.91Å; H76-R106 PolarHBondContact O-NH2 3.14Å; G79-R106 VanDerWaalsContact C-NH1 3.3Å; G79-R106 VanDerWaalsContact CA-NH1 3.31Å; F80-R106 PolarHBondContact O-NH1 3Å; I81-R106 CarbonylContact C-O 3.56Å; I81-R106 WeakPolarHBondContact CA-O 3.32Å; I81-R106 HydrophobicContact CG1-CG 4.21Å; V82-R106 PolarHBondContact N-O 2.98Å; S104-R106 PolarHBondContact O-N 2.87Å; S104-R106 VanDerWaalsContact O-N 3.15Å; S104-R106 PolarHBondContact OG-N 2.82Å
107	M	97	Very high	95.9	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.3	173	-177.4	59.4	74.2	0	0	108.7	A72 H76 V82 A84 L99 M102 S104	A72-M107 HydrophobicContact CB-CE 4.06Å; A72-M107 HydrophobicContact CB-SD 4.36Å; A72-M107 VanDerWaalsContact O-CE 3.32Å; A72-M107 WeakPolarHBondContact O-CE 3.35Å; H76-M107 HydrophobicContact CB-CE 3.61Å; V82-M107 HydrophobicContact CB-CE 4.16Å; V82-M107 HydrophobicContact CB-SD 3.99Å; V82-M107 HydrophobicContact CG1-CE 4.22Å; V82-M107 HydrophobicContact CG1-SD 3.92Å; A84-M107 HydrophobicContact CB-SD 4.25Å; L99-M107 HydrophobicContact CB-CG 4.3Å; L99-M107 HydrophobicContact CB-SD 4.47Å; L99-M107 HydrophobicContact CD2-CE 4.13Å; L99-M107 HydrophobicContact CD2-SD 4.19Å; M102-M107 HydrophobicContact CE-CE 4.04Å; M102-M107 HydrophobicContact SD-CE 3.88Å; M102-M107 HydrophobicContact SD-CG 4.16Å; S104-M107 PolarHBondContact O-N 2.9Å; S104-M107 VanDerWaalsContact O-O 3.06Å
108	R	96	Very high	96.2	Very high	74 Å²	74	55.8 Å²	55.8	28%	0.279	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	109.8	-174.1	-59.7	175.9	-172.5	-177.5	-1.4	108.7	V82 Y83 A84 D105 S130	V82-R108 PolarHBondContact O-N 2.9Å; Y83-R108 CarbonylContact C-O 3.52Å; Y83-R108 VanDerWaalsContact CA-O 3.23Å; Y83-R108 WeakPolarHBondContact CA-O 3.22Å; Y83-R108 HydrophobicContact CD1-CB 3.89Å; Y83-R108 HydrophobicContact CE1-CB 4.11Å; Y83-R108 HydrophobicContact CE1-CG 4.44Å; Y83-R108 PolarHBondContact OH-NH1 3.09Å; A84-R108 PolarHBondContact N-O 2.98Å; D105-R108 PolarHBondContact O-NE 3.07Å; D105-R108 PolarHBondContact O-NH2 3.34Å; R108-S130 PolarHBondContact NH1-O 2.95Å
109	T	96.9	Very high	96.4	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.7	174.5	57.8	0	0	0	0	110.6	A84 K89 L99 D100	A84-T109 HydrophobicContact CB-CG2 4.29Å; A84-T109 CarbonylContact O-C 3.28Å; A84-T109 WeakPolarHBondContact O-CA 3.47Å; K89-T109 WeakPolarHBondContact CD-OG1 3.25Å; K89-T109 WeakPolarHBondContact CE-OG1 3.35Å; L99-T109 HydrophobicContact CB-CG2 3.67Å; L99-T109 HydrophobicContact CD1-CG2 4.38Å; D100-T109 WeakPolarHBondContact OD1-CB 3.48Å; D100-T109 WeakPolarHBondContact OD1-CG2 3.39Å; D100-T109 PolarHBondContact OD1-OG1 3.02Å
110	V	97.1	Very high	96.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.8	-176.4	179.5	0	0	0	0	108	Y83 A84 G85 C86 L112 A123	Y83-V110 HydrophobicContact CD1-CG2 4Å; A84-V110 PolarHBondContact O-N 3.31Å; G85-V110 CarbonylContact C-O 3.54Å; G85-V110 WeakPolarHBondContact CA-O 3.18Å; C86-V110 PolarHBondContact N-O 2.85Å; V110-L112 PolarHBondContact O-N 3.06Å; V110-A123 HydrophobicContact CG1-CB 3.81Å
111	Q	97.5	Very high	96.8	Very high	27 Å²	27	53.7 Å²	53.7	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	121.2	171	175.6	59.9	44.9	0	0	109.1	L87 K89 D90 E119	L87-Q111 PolarHBondContact O-NE2 3.44Å; L87-Q111 PolarHBondContact O-OE1 2.86Å; K89-Q111 HydrophobicContact CB-CB 4.07Å; K89-Q111 HydrophobicContact CG-CB 4.41Å; K89-Q111 VanDerWaalsContact N-OE1 3.09Å; D90-Q111 VanDerWaalsContact N-OE1 3.07Å; D90-Q111 WeakPolarHBondContact OD2-CG 3.09Å; Q111-E119 HydrophobicContact CG-CG 4.42Å; Q111-E119 WeakPolarHBondContact CG-OE1 3.25Å; Q111-E119 PolarHBondContact NE2-OE2 3.44Å; Q111-E119 VanDerWaalsContact NE2-OE2 3.1Å
112	L	98.2	Very high	96.9	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	27%	0.273	C	S	.	.			trans	-152.6	96.3	-175	-177	53.7	0	0	0	113.3	L59 T61 C86 V110 V114 V120 A123	L59-L112 HydrophobicContact CD1-CD2 4.41Å; L59-L112 HydrophobicContact CD2-CD2 4.27Å; T61-L112 HydrophobicContact CG2-CD2 3.78Å; C86-L112 PolarHBondContact O-N 3.23Å; V110-L112 PolarHBondContact O-N 3.06Å; L112-V114 HydrophobicContact CG-CG1 4.44Å; L112-V120 HydrophobicContact CD1-CB 4.42Å; L112-V120 HydrophobicContact CD1-CG2 3.9Å; L112-A123 HydrophobicContact CD1-CB 3.88Å
113	N	98.1	Very high	97.1	Very high	48 Å²	48	52 Å²	52	26%	0.257	26%	0.26	S	S	.	.			trans	-86.3	110.5	159.5	-176	0.4	0	0	0	110.6	L87 C115 D116 E119	L87-N113 HydrophobicContact CD1-CB 3.64Å; N113-C115 PolarHBondContact O-N 3.29Å; N113-C115 VanDerWaalsContact O-N 3.11Å; N113-C115 WeakPolarHBondContact OD1-CB 3.39Å; N113-C115 PolarHBondContact OD1-N 3.25Å; N113-C115 PolarHBondContact OD1-SG 3Å; N113-D116 HydrophobicContact CB-CB 4.43Å; N113-D116 PolarHBondContact O-N 2.85Å; N113-D116 VanDerWaalsContact O-N 3.11Å; N113-E119 WeakPolarHBondContact CA-OE2 3.26Å; N113-E119 WeakPolarHBondContact CB-OE2 3.32Å; N113-E119 PolarHBondContact N-OE2 2.64Å
114	V	98.6	Very high	97.4	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.042	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	179.6	-59.3	0	0	0	0	113.8	T61 L112 A145 V167 G171 R174	T61-V114 HydrophobicContact CG2-CG1 4.12Å; L112-V114 HydrophobicContact CG-CG1 4.44Å; V114-A145 HydrophobicContact CG1-CB 3.99Å; V114-A145 HydrophobicContact CG2-CB 4.22Å; V114-V167 HydrophobicContact CG2-CG1 4.15Å; V114-G171 WeakPolarHBondContact O-CA 3.33Å; V114-R174 WeakPolarHBondContact O-CD 3.4Å; V114-R174 PolarHBondContact O-NH1 3.34Å
115	C	98.5	Very high	97.6	Very high	38 Å²	38	51.4 Å²	51.4	26%	0.257	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.2	177.4	-49.7	0	0	0	0	112.8	N113 E166	N113-C115 PolarHBondContact O-N 3.29Å; N113-C115 VanDerWaalsContact O-N 3.11Å; N113-C115 WeakPolarHBondContact OD1-CB 3.39Å; N113-C115 PolarHBondContact OD1-N 3.25Å; N113-C115 PolarHBondContact OD1-SG 3Å; C115-E166 HydrophobicContact CB-CG 3.97Å
116	D	98.4	Very high	97.8	Very high	60 Å²	60	49.9 Å²	49.9	32%	0.321	24%	0.24	S	C	.	.			trans	-103.7	108.1	-177.6	-176.7	-9.2	0	0	0	110.6	N113 K118 E119 V120	N113-D116 HydrophobicContact CB-CB 4.43Å; N113-D116 PolarHBondContact O-N 2.85Å; N113-D116 VanDerWaalsContact O-N 3.11Å; D116-K118 PolarHBondContact O-N 3.08Å; D116-K118 WeakPolarHBondContact OD1-CB 3.41Å; D116-K118 PolarHBondContact OD1-N 3.18Å; D116-E119 HydrophobicContact CB-CB 3.93Å; D116-E119 PolarHBondContact O-N 3.44Å; D116-E119 PolarHBondContact OD1-N 2.95Å; D116-V120 WeakPolarHBondContact O-CG2 3.47Å; D116-V120 PolarHBondContact O-N 3.34Å
117	S	98.3	Very high	97.9	Very high	59 Å²	59	46.6 Å²	46.6	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-55.6	-37.2	177.2	-56.2	0	0	0	0	113.2	E119 V120 D121 R174	S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.01Å; S117-V120 PolarHBondContact O-N 3.29Å; S117-D121 WeakPolarHBondContact O-CB 3.4Å; S117-D121 PolarHBondContact O-N 2.86Å; S117-R174 WeakPolarHBondContact OG-CD 3.42Å; S117-R174 PolarHBondContact OG-NE 2.87Å
118	K	98.3	Very high	97.9	Very high	157 Å²	157	48.4 Å²	48.4	68%	0.683	24%	0.238	S	C	*	.	H	α-helix	trans	-69.1	-32.9	179.4	-63.5	-179.9	-180	177	0	111.6	D116 R122	D116-K118 PolarHBondContact O-N 3.08Å; D116-K118 WeakPolarHBondContact OD1-CB 3.41Å; D116-K118 PolarHBondContact OD1-N 3.18Å; K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.41Å; K118-R122 PolarHBondContact O-N 2.99Å; K118-R122 VanDerWaalsContact O-N 3.11Å; K118-R122 PolarHBondContact O-NE 3.33Å
119	E	97.9	Very high	97.8	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-74.8	-38.2	175.6	-164.1	152.3	-95	0	0	111.9	Q111 N113 D116 S117 D121 R122 A123	Q111-E119 HydrophobicContact CG-CG 4.42Å; Q111-E119 WeakPolarHBondContact CG-OE1 3.25Å; Q111-E119 PolarHBondContact NE2-OE2 3.44Å; Q111-E119 VanDerWaalsContact NE2-OE2 3.1Å; N113-E119 WeakPolarHBondContact CA-OE2 3.26Å; N113-E119 WeakPolarHBondContact CB-OE2 3.32Å; N113-E119 PolarHBondContact N-OE2 2.64Å; D116-E119 HydrophobicContact CB-CB 3.93Å; D116-E119 PolarHBondContact O-N 3.44Å; D116-E119 PolarHBondContact OD1-N 2.95Å; S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.01Å; E119-D121 VanDerWaalsContact C-N 3.34Å; E119-D121 PolarHBondContact O-N 3.05Å; E119-R122 VanDerWaalsContact CB-NH2 3.31Å; E119-R122 PolarHBondContact O-N 3.04Å; E119-R122 IonicContact OE1-CZ 2.92Å; E119-R122 IonicContact OE1-NH1 3.35Å; E119-R122 PolarHBondContact OE1-NH1 3.34Å; E119-R122 IonicContact OE1-NH2 3.21Å; E119-R122 PolarHBondContact OE1-NH2 3.46Å; E119-A123 WeakPolarHBondContact O-CB 3.15Å; E119-A123 PolarHBondContact O-N 3.42Å
120	V	98.8	Very high	97.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-45.4	170.7	174.9	0	0	0	0	110.9	L112 D116 S117 A123 V124 R174 A178	L112-V120 HydrophobicContact CD1-CB 4.42Å; L112-V120 HydrophobicContact CD1-CG2 3.9Å; D116-V120 WeakPolarHBondContact O-CG2 3.47Å; D116-V120 PolarHBondContact O-N 3.34Å; S117-V120 PolarHBondContact O-N 3.29Å; V120-A123 WeakPolarHBondContact O-CB 3.36Å; V120-A123 PolarHBondContact O-N 2.9Å; V120-V124 WeakPolarHBondContact O-CG2 3.21Å; V120-V124 PolarHBondContact O-N 3.03Å; V120-R174 HydrophobicContact CG2-CG 4.34Å; V120-A178 HydrophobicContact CG1-CB 3.43Å; V120-A178 VanDerWaalsContact CG1-CB 3.43Å
121	D	98.6	Very high	97.4	Very high	86 Å²	86	51.3 Å²	51.3	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-44.5	178.9	-67.6	-23.5	0	0	0	111.6	S117 E119 A123 V124 E125	S117-D121 WeakPolarHBondContact O-CB 3.4Å; S117-D121 PolarHBondContact O-N 2.86Å; E119-D121 VanDerWaalsContact C-N 3.34Å; E119-D121 PolarHBondContact O-N 3.05Å; D121-A123 VanDerWaalsContact C-N 3.31Å; D121-A123 PolarHBondContact O-N 3.23Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.49Å; D121-V124 VanDerWaalsContact O-N 3.12Å; D121-E125 PolarHBondContact O-N 2.82Å
122	R	98.4	Very high	96.8	Very high	116 Å²	116	57.5 Å²	57.5	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-41.5	173.1	-76.7	-178	-72.6	133.8	-5	112.1	K118 E119 V124 E125 Q126	K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.41Å; K118-R122 PolarHBondContact O-N 2.99Å; K118-R122 VanDerWaalsContact O-N 3.11Å; K118-R122 PolarHBondContact O-NE 3.33Å; E119-R122 VanDerWaalsContact CB-NH2 3.31Å; E119-R122 PolarHBondContact O-N 3.04Å; E119-R122 IonicContact OE1-CZ 2.92Å; E119-R122 IonicContact OE1-NH1 3.35Å; E119-R122 PolarHBondContact OE1-NH1 3.34Å; E119-R122 IonicContact OE1-NH2 3.21Å; E119-R122 PolarHBondContact OE1-NH2 3.46Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-E125 PolarHBondContact O-N 3.43Å; R122-Q126 WeakPolarHBondContact O-CB 3.26Å; R122-Q126 PolarHBondContact O-N 3.34Å
123	A	98.4	Very high	96.3	Very high	1 Å²	1	60 Å²	60	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-37.9	176.3	0	0	0	0	0	111.9	V110 L112 E119 V120 D121 Q126 V127 F179	V110-A123 HydrophobicContact CG1-CB 3.81Å; L112-A123 HydrophobicContact CD1-CB 3.88Å; E119-A123 WeakPolarHBondContact O-CB 3.15Å; E119-A123 PolarHBondContact O-N 3.42Å; V120-A123 WeakPolarHBondContact O-CB 3.36Å; V120-A123 PolarHBondContact O-N 2.9Å; D121-A123 VanDerWaalsContact C-N 3.31Å; D121-A123 PolarHBondContact O-N 3.23Å; A123-Q126 PolarHBondContact O-N 2.79Å; A123-V127 WeakPolarHBondContact O-CB 3.44Å; A123-V127 VanDerWaalsContact O-CG2 3.23Å; A123-V127 WeakPolarHBondContact O-CG2 3.4Å; A123-V127 PolarHBondContact O-N 3.36Å; A123-F179 HydrophobicContact CB-CZ 4.18Å
124	V	98.5	Very high	95.6	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-47.3	173.4	172.6	0	0	0	0	110.6	V120 D121 R122 V127 N128 A178 F179 L182	V120-V124 WeakPolarHBondContact O-CG2 3.21Å; V120-V124 PolarHBondContact O-N 3.03Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.49Å; D121-V124 VanDerWaalsContact O-N 3.12Å; R122-V124 VanDerWaalsContact C-N 3.34Å; V124-V127 PolarHBondContact O-N 3.28Å; V124-N128 WeakPolarHBondContact O-CB 3.28Å; V124-N128 PolarHBondContact O-N 2.97Å; V124-A178 HydrophobicContact CG2-CB 3.82Å; V124-F179 HydrophobicContact CB-CE1 4.36Å; V124-F179 HydrophobicContact CB-CE2 4.46Å; V124-F179 HydrophobicContact CB-CZ 4.14Å; V124-F179 HydrophobicContact CG2-CD1 4.1Å; V124-F179 HydrophobicContact CG2-CD2 3.63Å; V124-F179 HydrophobicContact CG2-CE1 3.86Å; V124-F179 HydrophobicContact CG2-CE2 3.37Å; V124-F179 HydrophobicContact CG2-CG 4Å; V124-F179 HydrophobicContact CG2-CZ 3.48Å; V124-F179 VanDerWaalsContact CG2-CZ 3.48Å; V124-L182 HydrophobicContact CG1-CD1 4.14Å
125	E	97.9	Very high	95	Very high	135 Å²	135	66.7 Å²	66.7	63%	0.631	34%	0.344	S	S	*	.	H	α-helix	trans	-61.3	-46.3	178.7	-69.9	174.8	178.6	0	0	112	D121 R122 N128 S129	D121-E125 PolarHBondContact O-N 2.82Å; R122-E125 PolarHBondContact O-N 3.43Å; E125-N128 PolarHBondContact O-N 3.32Å; E125-S129 WeakPolarHBondContact O-CB 3.3Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.67Å
126	Q	97.1	Very high	94.4	Very high	90 Å²	90	71.6 Å²	71.6	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-46.3	178	-177.1	-178.9	-13.4	0	0	111.7	R122 A123 S129 S130	R122-Q126 WeakPolarHBondContact O-CB 3.26Å; R122-Q126 PolarHBondContact O-N 3.34Å; A123-Q126 PolarHBondContact O-N 2.79Å; Q126-S129 PolarHBondContact O-OG 2.85Å; Q126-S129 VanDerWaalsContact O-OG 3.1Å; Q126-S130 WeakPolarHBondContact O-CB 3.45Å; Q126-S130 PolarHBondContact O-N 2.98Å; Q126-S130 PolarHBondContact O-OG 3.46Å
127	V	97.3	Very high	94.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-49.3	178.1	170.9	0	0	0	0	109.9	L59 Y83 A123 V124 S129 S130 L131 L138 F179	L59-V127 HydrophobicContact CD1-CG2 4.46Å; Y83-V127 HydrophobicContact CD1-CG2 3.85Å; Y83-V127 HydrophobicContact CD2-CG1 3.99Å; Y83-V127 HydrophobicContact CD2-CG2 4.33Å; Y83-V127 HydrophobicContact CE1-CG2 4.32Å; Y83-V127 HydrophobicContact CE2-CG1 3.93Å; Y83-V127 HydrophobicContact CG-CG1 4.35Å; Y83-V127 HydrophobicContact CG-CG2 3.86Å; A123-V127 WeakPolarHBondContact O-CB 3.44Å; A123-V127 VanDerWaalsContact O-CG2 3.23Å; A123-V127 WeakPolarHBondContact O-CG2 3.4Å; A123-V127 PolarHBondContact O-N 3.36Å; V124-V127 PolarHBondContact O-N 3.28Å; V127-S129 PolarHBondContact O-N 3.45Å; V127-S130 PolarHBondContact O-N 2.91Å; V127-S130 VanDerWaalsContact O-N 3.16Å; V127-S130 PolarHBondContact O-OG 2.84Å; V127-S130 VanDerWaalsContact O-OG 3.1Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.38Å; V127-L138 HydrophobicContact CG1-CD1 4.02Å; V127-L138 HydrophobicContact CG1-CD2 4.36Å; V127-F179 HydrophobicContact CB-CE1 3.98Å; V127-F179 HydrophobicContact CG1-CE1 4.17Å; V127-F179 HydrophobicContact CG2-CE1 4.04Å; V127-F179 HydrophobicContact CG2-CZ 4.34Å
128	N	96.4	Very high	94.1	Very high	50 Å²	50	66.4 Å²	66.4	27%	0.267	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-42	-177	-174	57.8	0	0	0	112.7	V124 E125 S130 L182	V124-N128 WeakPolarHBondContact O-CB 3.28Å; V124-N128 PolarHBondContact O-N 2.97Å; E125-N128 PolarHBondContact O-N 3.32Å; N128-S130 VanDerWaalsContact C-N 3.26Å; N128-S130 PolarHBondContact O-N 3.41Å; N128-L182 HydrophobicContact CB-CD1 4.33Å; N128-L182 HydrophobicContact CB-CD2 4.19Å; N128-L182 WeakPolarHBondContact OD1-CD2 3.31Å
129	S	95.3	Very high	94.1	Very high	93 Å²	93	60 Å²	60	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-70.7	-19.5	179.2	56.2	0	0	0	0	114.2	E125 Q126 V127	E125-S129 WeakPolarHBondContact O-CB 3.3Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.67Å; Q126-S129 PolarHBondContact O-OG 2.85Å; Q126-S129 VanDerWaalsContact O-OG 3.1Å; V127-S129 PolarHBondContact O-N 3.45Å
130	S	92.4	Very high	94.1	Very high	39 Å²	39	59 Å²	59	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-103	-3.3	-177.7	60	0	0	0	0	114	Y83 R108 Q126 V127 N128	Y83-S130 WeakPolarHBondContact CE1-OG 3.44Å; Y83-S130 PolarHBondContact OH-O 3.07Å; Y83-S130 PolarHBondContact OH-OG 2.78Å; R108-S130 PolarHBondContact NH1-O 2.95Å; Q126-S130 WeakPolarHBondContact O-CB 3.45Å; Q126-S130 PolarHBondContact O-N 2.98Å; Q126-S130 PolarHBondContact O-OG 3.46Å; V127-S130 PolarHBondContact O-N 2.91Å; V127-S130 VanDerWaalsContact O-N 3.16Å; V127-S130 PolarHBondContact O-OG 2.84Å; V127-S130 VanDerWaalsContact O-OG 3.1Å; N128-S130 VanDerWaalsContact C-N 3.26Å; N128-S130 PolarHBondContact O-N 3.41Å
131	L	91.8	Very high	94.1	Very high	18 Å²	18	59.1 Å²	59.1	9%	0.094	30%	0.298	C	S	.	.	S	Bend	trans	-66.1	137.7	166.6	-68.4	171.9	0	0	0	110	A57 Y83 V127 D133 L138 L182	A57-L131 HydrophobicContact CB-CD2 3.43Å; A57-L131 VanDerWaalsContact CB-CD2 3.43Å; Y83-L131 HydrophobicContact CE2-CD2 4.17Å; V127-L131 WeakPolarHBondContact O-CG 3.41Å; V127-L131 PolarHBondContact O-N 3.38Å; L131-D133 PolarHBondContact O-N 3.38Å; L131-L138 HydrophobicContact CD2-CD1 4.46Å; L131-L182 HydrophobicContact CD1-CD2 4.43Å
132	E	86.3	Confident	94.1	Very high	156 Å²	156	55 Å²	55	73%	0.729	28%	0.276	S	S	*	.	S	Bend	trans	-60.5	-32.1	175.8	-65.3	178.7	179.8	0	0	112.2
133	D	86.1	Confident	94.1	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	26%	0.256	S	S	.	.			trans	-140.3	89.4	179.2	-172.8	-16.3	0	0	0	109.1	L131 E135 K136 G137	L131-D133 PolarHBondContact O-N 3.38Å; D133-E135 PolarHBondContact O-N 3.46Å; D133-E135 VanDerWaalsContact O-N 3.15Å; D133-E135 PolarHBondContact OD1-N 2.99Å; D133-K136 HydrophobicContact CB-CB 4.2Å; D133-K136 HydrophobicContact CB-CD 3.94Å; D133-K136 HydrophobicContact CB-CG 4.14Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.29Å; D133-K136 PolarHBondContact OD1-N 3.32Å; D133-K136 WeakPolarHBondContact OD2-CD 3.33Å; D133-K136 WeakPolarHBondContact OD2-CE 3.35Å; D133-K136 WeakPolarHBondContact OD2-CG 3.38Å; D133-K136 IonicContact OD2-NZ 3.24Å; D133-K136 PolarHBondContact OD2-NZ 3.46Å; D133-G137 PolarHBondContact O-N 3.49Å
134	P	83.4	Confident	94.1	Very high	45 Å²	45	50.7 Å²	50.7	29%	0.292	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.3	-177.6	-26.4	35.5	0	0	0	114	K136 G137	P134-K136 VanDerWaalsContact C-N 3.35Å; P134-G137 PolarHBondContact O-N 2.78Å; P134-G137 VanDerWaalsContact O-N 3.14Å
135	E	86.5	Confident	94.1	Very high	149 Å²	149	50 Å²	50	70%	0.696	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.2	177	-65.2	-56.7	135.1	0	0	112	D133 G137	D133-E135 PolarHBondContact O-N 3.46Å; D133-E135 VanDerWaalsContact O-N 3.15Å; D133-E135 PolarHBondContact OD1-N 2.99Å; E135-G137 VanDerWaalsContact C-N 3.26Å
136	K	86.6	Confident	94	Very high	142 Å²	142	45 Å²	45	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-20	168.7	-74.2	178.2	-173.2	145.1	0	113	D133 P134 S186	D133-K136 HydrophobicContact CB-CB 4.2Å; D133-K136 HydrophobicContact CB-CD 3.94Å; D133-K136 HydrophobicContact CB-CG 4.14Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.29Å; D133-K136 PolarHBondContact OD1-N 3.32Å; D133-K136 WeakPolarHBondContact OD2-CD 3.33Å; D133-K136 WeakPolarHBondContact OD2-CE 3.35Å; D133-K136 WeakPolarHBondContact OD2-CG 3.38Å; D133-K136 IonicContact OD2-NZ 3.24Å; D133-K136 PolarHBondContact OD2-NZ 3.46Å; P134-K136 VanDerWaalsContact C-N 3.35Å; K136-S186 WeakPolarHBondContact O-CA 3.42Å; K136-S186 WeakPolarHBondContact O-CB 3.14Å; K136-S186 PolarHBondContact O-N 2.9Å
137	G	93.9	Very high	93.9	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	24%	0.238	C	C	.	.			trans	71.2	-165	176.9	0	0	0	0	0	114.2	D133 P134 E135 L182	D133-G137 PolarHBondContact O-N 3.49Å; P134-G137 PolarHBondContact O-N 2.78Å; P134-G137 VanDerWaalsContact O-N 3.14Å; E135-G137 VanDerWaalsContact C-N 3.26Å; G137-L182 WeakPolarHBondContact CA-O 3.39Å
138	L	97.1	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.			trans	-97.5	131.5	-175.9	178.8	69.1	0	0	0	109	A57 L59 Y83 V127 L131 F179 L182 I183 S186	A57-L138 HydrophobicContact CB-CD1 3.68Å; A57-L138 VanDerWaalsContact O-CD1 3.23Å; A57-L138 WeakPolarHBondContact O-CD1 3.32Å; L59-L138 HydrophobicContact CB-CD2 3.92Å; Y83-L138 HydrophobicContact CD2-CD1 4.28Å; Y83-L138 HydrophobicContact CE2-CD1 4.48Å; V127-L138 HydrophobicContact CG1-CD1 4.02Å; V127-L138 HydrophobicContact CG1-CD2 4.36Å; L131-L138 HydrophobicContact CD2-CD1 4.46Å; L138-F179 HydrophobicContact CD2-CD1 3.72Å; L138-F179 HydrophobicContact CD2-CE1 4.29Å; L138-L182 HydrophobicContact CB-CB 3.76Å; L138-L182 PolarHBondContact N-O 3.49Å; L138-I183 HydrophobicContact CB-CD1 3.91Å; L138-I183 HydrophobicContact CD2-CD1 3.73Å; L138-I183 HydrophobicContact CG-CD1 3.74Å; L138-I183 WeakPolarHBondContact O-CA 3.32Å; L138-I183 VanDerWaalsContact O-CD1 3.32Å; L138-I183 WeakPolarHBondContact O-CD1 3.36Å; L138-S186 VanDerWaalsContact O-CB 3.3Å; L138-S186 WeakPolarHBondContact O-CB 3.48Å; L138-S186 PolarHBondContact O-OG 3.5Å
139	W	97.4	Very high	93.4	Very high	23 Å²	23	42.4 Å²	42.4	9%	0.087	23%	0.234	C	C	.	.	S	Bend	trans	-71.4	-43.4	-177.5	170.6	-107.5	0	0	0	112.7	V50 R56 A57 F80 G188 R189 L306	V50-W139 HydrophobicContact CG1-CH2 4.34Å; V50-W139 HydrophobicContact CG2-CH2 4.47Å; V50-W139 HydrophobicContact CG2-CZ2 4.36Å; R56-W139 HydrophobicContact CB-CB 3.85Å; R56-W139 HydrophobicContact CB-CG 3.93Å; R56-W139 HydrophobicContact CG-CB 4.19Å; R56-W139 HydrophobicContact CG-CD2 4.44Å; R56-W139 HydrophobicContact CG-CG 4.11Å; A57-W139 WeakPolarHBondContact O-CA 3.42Å; A57-W139 VanDerWaalsContact O-CB 3.26Å; A57-W139 WeakPolarHBondContact O-CB 3.22Å; A57-W139 PolarHBondContact O-N 2.96Å; F80-W139 AromaticContact CE1-CD1 3.75Å; W139-G188 CarbonylContact O-C 3.57Å; W139-G188 WeakPolarHBondContact O-CA 3.39Å; W139-R189 HydrophobicContact CH2-CG 4.45Å; W139-R189 VanDerWaalsContact CH2-CZ 3.41Å; W139-R189 VanDerWaalsContact CH2-NH1 3.34Å; W139-R189 HydrophobicContact CZ2-CG 3.73Å; W139-R189 PolarHBondContact O-N 2.97Å; W139-L306 WeakPolarHBondContact CZ2-O 3.28Å; W139-L306 PolarHBondContact NE1-O 3.33Å
140	G	97.9	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.4	-171.6	0	0	0	0	0	113.8	A57 V58 L59 R189	A57-G140 PolarHBondContact O-N 3.22Å; A57-G140 VanDerWaalsContact O-N 3.14Å; V58-G140 CarbonylContact C-O 3.58Å; V58-G140 VanDerWaalsContact CA-O 3.31Å; V58-G140 WeakPolarHBondContact CA-O 3.46Å; L59-G140 PolarHBondContact N-O 2.94Å; G140-R189 CarbonylContact C-O 3.58Å; G140-R189 VanDerWaalsContact CA-O 3.3Å; G140-R189 WeakPolarHBondContact CA-O 3.46Å
141	L	98.9	Very high	93.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127	163.4	173.6	65	0	0	0	108.9	L59 T175 F179 I183 R189 V190 V191	L59-L141 HydrophobicContact CB-CD1 4.21Å; L59-L141 HydrophobicContact CD2-CD1 3.89Å; L59-L141 HydrophobicContact CG-CD1 4.16Å; L59-L141 CarbonylContact O-C 3.47Å; L59-L141 WeakPolarHBondContact O-CA 3.46Å; L141-T175 HydrophobicContact CD1-CG2 4.07Å; L141-T175 HydrophobicContact CD2-CG2 4.47Å; L141-F179 HydrophobicContact CD2-CB 4.22Å; L141-I183 HydrophobicContact CB-CD1 4Å; L141-I183 HydrophobicContact CB-CG1 4.23Å; L141-R189 PolarHBondContact N-O 3.23Å; L141-V190 CarbonylContact O-C 3.59Å; L141-V190 WeakPolarHBondContact O-CA 3.42Å; L141-V191 PolarHBondContact O-N 2.92Å
142	V	98.9	Very high	93.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	104.7	170.9	-173.7	0	0	0	0	108.8	L59 I60 T61 L71 N144 V191 I193 V302 L306	L59-V142 PolarHBondContact O-N 2.77Å; I60-V142 HydrophobicContact CB-CB 4.41Å; I60-V142 HydrophobicContact CG1-CB 4.21Å; I60-V142 HydrophobicContact CG1-CG2 4.3Å; I60-V142 HydrophobicContact CG2-CB 4.21Å; I60-V142 HydrophobicContact CG2-CG1 4.4Å; T61-V142 PolarHBondContact N-O 3.18Å; L71-V142 HydrophobicContact CD2-CB 4.33Å; L71-V142 HydrophobicContact CD2-CG1 3.82Å; L71-V142 HydrophobicContact CD2-CG2 4.23Å; V142-N144 HydrophobicContact CG1-CB 4.23Å; V142-N144 PolarHBondContact O-N 3.1Å; V142-V191 CarbonylContact C-O 3.4Å; V142-V191 VanDerWaalsContact CA-O 3.31Å; V142-V191 WeakPolarHBondContact CA-O 3.4Å; V142-V191 HydrophobicContact CG1-CB 4.4Å; V142-V191 HydrophobicContact CG2-CB 4.28Å; V142-I193 HydrophobicContact CG1-CD1 4.44Å; V142-I193 HydrophobicContact CG1-CG1 4.41Å; V142-V302 HydrophobicContact CG1-CG1 4.02Å; V142-V302 HydrophobicContact CG2-CG1 3.9Å; V142-L306 HydrophobicContact CG2-CD1 4.01Å; V142-L306 HydrophobicContact CG2-CD2 4.37Å
143	N	98.9	Very high	93.9	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	95.7	172.6	-66.7	-64.3	0	0	0	109	T172 T176 V191 N192 I193	N143-T172 HydrophobicContact CB-CG2 3.9Å; N143-T176 PolarHBondContact ND2-OG1 3.31Å; N143-V191 PolarHBondContact N-O 3.49Å; N143-N192 WeakPolarHBondContact CB-OD1 3.45Å; N143-N192 PolarHBondContact ND2-OD1 2.93Å; N143-I193 WeakPolarHBondContact O-CG1 3.43Å; N143-I193 PolarHBondContact O-N 3.1Å
144	N	98.6	Very high	94.4	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.123	20%	0.199	C	C	.	.			trans	-113.9	-25.6	-178.1	161.5	86.6	0	0	0	113.2	I60 T61 G62 F67 G68 V142 G146 I193	I60-N144 HydrophobicContact CG2-CB 4.37Å; T61-N144 VanDerWaalsContact O-CB 3.24Å; T61-N144 WeakPolarHBondContact O-CB 3.29Å; T61-N144 PolarHBondContact O-ND2 3.16Å; T61-N144 PolarHBondContact OG1-N 2.69Å; G62-N144 PolarHBondContact O-ND2 2.9Å; G62-N144 VanDerWaalsContact O-ND2 3.11Å; F67-N144 WeakPolarHBondContact CB-OD1 3.21Å; G68-N144 WeakPolarHBondContact CA-ND2 3.39Å; G68-N144 PolarHBondContact N-ND2 2.85Å; V142-N144 HydrophobicContact CG1-CB 4.23Å; V142-N144 PolarHBondContact O-N 3.1Å; N144-G146 PolarHBondContact O-N 2.77Å; N144-I193 HydrophobicContact CB-CG1 3.77Å
145	A	97.4	Very high	95	Very high	15 Å²	15	35.5 Å²	35.5	12%	0.124	19%	0.188	C	C	.	.			trans	-51.3	129.8	178.4	0	0	0	0	0	111.2	T61 V114	T61-A145 PolarHBondContact O-N 3.25Å; T61-A145 WeakPolarHBondContact OG1-CB 3.39Å; T61-A145 PolarHBondContact OG1-N 3.43Å; V114-A145 HydrophobicContact CG1-CB 3.99Å; V114-A145 HydrophobicContact CG2-CB 4.22Å
146	G	95.9	Very high	95.4	Very high	30 Å²	30	29 Å²	29	31%	0.309	16%	0.159	S	C	.	.			trans	-173.4	152.1	179.2	0	0	0	0	0	112.8	N144 N168	N144-G146 PolarHBondContact O-N 2.77Å; G146-N168 WeakPolarHBondContact CA-OD1 3.38Å
147	I	94.9	Very high	95.9	Very high	58 Å²	58	23.8 Å²	23.8	30%	0.297	14%	0.14	S	C	.	.			trans	-118.8	166.4	173.3	62.3	171.1	0	0	0	110.1	E163 V164 V167 N168 Y208	I147-E163 HydrophobicContact CD1-CG 4.22Å; I147-V164 HydrophobicContact CD1-CG2 4.14Å; I147-V164 HydrophobicContact CG1-CG1 4.45Å; I147-V164 HydrophobicContact CG1-CG2 4.35Å; I147-V167 HydrophobicContact CD1-CB 4.37Å; I147-V167 HydrophobicContact CD1-CG2 3.85Å; I147-V167 HydrophobicContact CG1-CB 4.06Å; I147-V167 HydrophobicContact CG1-CG1 4.43Å; I147-V167 HydrophobicContact CG1-CG2 4.07Å; I147-V167 HydrophobicContact CG2-CG1 4.37Å; I147-N168 PolarHBondContact N-OD1 3.45Å; I147-N168 PolarHBondContact O-ND2 2.93Å; I147-N168 PolarHBondContact O-OD1 3.22Å; I147-Y208 WeakPolarHBondContact O-CD2 3.41Å; I147-Y208 WeakPolarHBondContact O-CE2 3.44Å
148	S	91.9	Very high	96	Very high	18 Å²	18	29.6 Å²	29.6	13%	0.126	17%	0.166	C	C	.	.			trans	-137	149.9	176	-155.5	0	0	0	0	109.3	Y208 Y248	S148-Y208 VanDerWaalsContact OG-CD2 3.3Å; S148-Y208 WeakPolarHBondContact OG-CD2 3.35Å; S148-Y248 WeakPolarHBondContact CB-OH 3.28Å; S148-Y248 PolarHBondContact OG-OH 3.27Å
149	T	92.3	Very high	96	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.055	19%	0.192	C	C	.	.			trans	-138.2	169.1	171.9	-165.2	0	0	0	0	108.9	T160 V164 P207 Y248	T149-T160 HydrophobicContact CG2-CG2 3.8Å; T149-V164 HydrophobicContact CG2-CG2 3.69Å; T149-P207 HydrophobicContact CG2-CB 3.65Å; T149-P207 HydrophobicContact CG2-CG 3.83Å; T149-Y248 WeakPolarHBondContact CA-OH 3.18Å; T149-Y248 PolarHBondContact N-OH 3.13Å; T149-Y248 VanDerWaalsContact N-OH 3.1Å; T149-Y248 PolarHBondContact O-OH 2.9Å
150	F	92.6	Very high	95.9	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.031	19%	0.193	C	C	.	.			trans	-132	171	174.7	70.2	-83.1	0	0	0	110	A204 Y248 I253 I256 A257 M260 V281 M284	F150-A204 CarbonylContact C-O 3.48Å; F150-A204 WeakPolarHBondContact CA-O 3.21Å; F150-Y248 HydrophobicContact CD1-CD1 4.5Å; F150-Y248 AromaticContact CD1-CE1 3.94Å; F150-Y248 HydrophobicContact CD1-CE1 3.94Å; F150-I253 HydrophobicContact CD1-CG1 4.42Å; F150-I253 HydrophobicContact CE1-CB 4.14Å; F150-I253 HydrophobicContact CE1-CG1 3.81Å; F150-I253 HydrophobicContact CE1-CG2 4Å; F150-I253 HydrophobicContact CZ-CB 4.46Å; F150-I253 HydrophobicContact CZ-CG1 4.49Å; F150-I253 HydrophobicContact CZ-CG2 3.83Å; F150-I256 HydrophobicContact CD1-CB 4.5Å; F150-I256 HydrophobicContact CD1-CD1 4.31Å; F150-I256 HydrophobicContact CD1-CG2 3.91Å; F150-I256 HydrophobicContact CE1-CB 3.74Å; F150-I256 HydrophobicContact CE1-CD1 4.12Å; F150-I256 HydrophobicContact CE1-CG2 3.47Å; F150-I256 VanDerWaalsContact CE1-CG2 3.47Å; F150-I256 HydrophobicContact CZ-CB 4.24Å; F150-I256 HydrophobicContact CZ-CG2 3.87Å; F150-A257 HydrophobicContact CZ-CB 4.32Å; F150-M260 HydrophobicContact CD2-CE 4.31Å; F150-M260 HydrophobicContact CE2-CE 4.18Å; F150-M260 WeakPolarHBondContact O-CE 3.45Å; F150-V281 HydrophobicContact CE2-CG2 4.33Å; F150-M284 HydrophobicContact CB-CG 4.12Å; F150-M284 HydrophobicContact CB-SD 3.93Å; F150-M284 HydrophobicContact CD1-CG 3.8Å; F150-M284 HydrophobicContact CD1-SD 4.44Å; F150-M284 HydrophobicContact CD2-CB 3.97Å; F150-M284 HydrophobicContact CD2-CG 3.67Å; F150-M284 HydrophobicContact CE1-CG 4.1Å; F150-M284 HydrophobicContact CE2-CB 4.11Å; F150-M284 HydrophobicContact CE2-CG 3.98Å; F150-M284 HydrophobicContact CG-CB 4.38Å; F150-M284 HydrophobicContact CG-CG 3.57Å; F150-M284 HydrophobicContact CG-SD 4.07Å; F150-M284 HydrophobicContact CZ-CG 4.19Å
151	G	93.3	Very high	95.9	Very high	4 Å²	4	36 Å²	36	4%	0.041	20%	0.2	C	C	.	.			trans	132	144.1	176.9	0	0	0	0	0	110.9	A204	G151-A204 PolarHBondContact N-O 3.18Å; G151-A204 CarbonylContact O-C 3.57Å; G151-A204 VanDerWaalsContact O-C 3.28Å; G151-A204 WeakPolarHBondContact O-CA 3.33Å
152	E	94.5	Very high	95.8	Very high	38 Å²	38	40.9 Å²	40.9	18%	0.178	22%	0.224	C	C	.	.			trans	-64.7	163.2	175.3	-63.8	-175.2	-179.1	0	0	110.9	E154 F155 T156 A204 Y276	E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 2.59Å; E152-F155 HydrophobicContact CB-CD2 3.94Å; E152-F155 HydrophobicContact CB-CE2 4.28Å; E152-F155 HydrophobicContact CB-CG 4.14Å; E152-F155 HydrophobicContact CG-CD2 4.31Å; E152-F155 HydrophobicContact CG-CE2 4.34Å; E152-F155 PolarHBondContact O-N 2.8Å; E152-T156 PolarHBondContact O-N 3.27Å; E152-T156 VanDerWaalsContact O-N 3.11Å; E152-T156 PolarHBondContact O-OG1 2.92Å; E152-A204 HydrophobicContact CG-CB 4.39Å; E152-Y276 PolarHBondContact OE1-OH 2.99Å
153	V	96	Very high	95.8	Very high	99 Å²	99	45.9 Å²	45.9	60%	0.6	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-57.9	-46.3	-171.5	175.7	0	0	0	0	111.4	F155 T156	V153-F155 VanDerWaalsContact C-N 3.27Å; V153-F155 PolarHBondContact O-N 3.08Å; V153-T156 PolarHBondContact O-N 2.84Å; V153-T156 PolarHBondContact O-OG1 3.12Å
154	E	95.9	Very high	95.7	Very high	106 Å²	106	45.9 Å²	45.9	50%	0.495	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-75.4	-15.5	179.4	-64	-162.6	-174.5	0	0	113.8	E152 V268 Y272	E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 2.59Å; E154-V268 HydrophobicContact CB-CG1 4.02Å; E154-V268 HydrophobicContact CB-CG2 4.45Å; E154-Y272 WeakPolarHBondContact OE2-CE2 3.07Å
155	F	95.8	Very high	95.7	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.048	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-88	-20.4	179.6	-59.1	-5.9	0	0	0	111.5	E152 V153 M260 L264 V268 Y272 Y276 F277	E152-F155 HydrophobicContact CB-CD2 3.94Å; E152-F155 HydrophobicContact CB-CE2 4.28Å; E152-F155 HydrophobicContact CB-CG 4.14Å; E152-F155 HydrophobicContact CG-CD2 4.31Å; E152-F155 HydrophobicContact CG-CE2 4.34Å; E152-F155 PolarHBondContact O-N 2.8Å; V153-F155 VanDerWaalsContact C-N 3.27Å; V153-F155 PolarHBondContact O-N 3.08Å; F155-M260 HydrophobicContact CB-CG 4Å; F155-M260 HydrophobicContact CB-SD 3.55Å; F155-M260 VanDerWaalsContact CB-SD 3.55Å; F155-M260 HydrophobicContact CD2-SD 4.48Å; F155-M260 WeakPolarHBondContact O-CG 3.48Å; F155-L264 HydrophobicContact CB-CD1 4.23Å; F155-L264 HydrophobicContact CD1-CD1 4.38Å; F155-L264 HydrophobicContact CD1-CD2 3.78Å; F155-L264 HydrophobicContact CE1-CD2 4.44Å; F155-L264 HydrophobicContact CG-CD1 4.29Å; F155-L264 HydrophobicContact CG-CD2 4.4Å; F155-V268 HydrophobicContact CD1-CG1 3.83Å; F155-V268 HydrophobicContact CE1-CG1 3.81Å; F155-Y272 AromaticContact CE1-CD1 4Å; F155-Y272 HydrophobicContact CE1-CD1 4Å; F155-Y272 AromaticContact CE1-CD2 3.78Å; F155-Y272 HydrophobicContact CE1-CD2 3.78Å; F155-Y272 HydrophobicContact CE1-CE1 4.33Å; F155-Y272 HydrophobicContact CE1-CE2 4.15Å; F155-Y272 AromaticContact CE1-CG 3.69Å; F155-Y272 HydrophobicContact CE1-CG 3.69Å; F155-Y272 AromaticContact CZ-CD1 3.79Å; F155-Y272 HydrophobicContact CZ-CD1 3.79Å; F155-Y272 HydrophobicContact CZ-CD2 4.37Å; F155-Y272 HydrophobicContact CZ-CE1 4.3Å; F155-Y272 AromaticContact CZ-CG 3.8Å; F155-Y272 HydrophobicContact CZ-CG 3.8Å; F155-Y276 HydrophobicContact CE2-CD1 4.13Å; F155-Y276 HydrophobicContact CE2-CE1 4.02Å; F155-Y276 AromaticContact CZ-CD1 3.78Å; F155-Y276 HydrophobicContact CZ-CD1 3.78Å; F155-Y276 AromaticContact CZ-CE1 3.76Å; F155-Y276 HydrophobicContact CZ-CE1 3.76Å; F155-F277 AromaticContact CD2-CD2 3.83Å; F155-F277 HydrophobicContact CD2-CD2 3.83Å; F155-F277 HydrophobicContact CD2-CE2 4.22Å; F155-F277 HydrophobicContact CE2-CD2 4.01Å; F155-F277 HydrophobicContact CG-CD2 4.42Å
156	T	95.6	Very high	95.8	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.086	26%	0.255	C	S	.	.	S	Bend	trans	-97.3	123.4	-174.4	45.2	0	0	0	0	111.4	E152 V153 Y161 P207 M260	E152-T156 PolarHBondContact O-N 3.27Å; E152-T156 VanDerWaalsContact O-N 3.11Å; E152-T156 PolarHBondContact O-OG1 2.92Å; V153-T156 PolarHBondContact O-N 2.84Å; V153-T156 PolarHBondContact O-OG1 3.12Å; T156-Y161 VanDerWaalsContact OG1-CE2 3.28Å; T156-Y161 WeakPolarHBondContact OG1-CE2 3.3Å; T156-P207 HydrophobicContact CG2-CG 4.08Å; T156-M260 HydrophobicContact CG2-CE 4.36Å
157	S	95.7	Very high	95.9	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	25%	0.247	C	C	.	.			trans	-70.2	152.2	178	57.8	0	0	0	0	112	D159 T160 Y161 E263	S157-D159 PolarHBondContact O-N 2.78Å; S157-T160 WeakPolarHBondContact O-CA 3.21Å; S157-T160 VanDerWaalsContact O-CB 3.29Å; S157-T160 WeakPolarHBondContact O-CB 3.2Å; S157-T160 PolarHBondContact O-N 2.97Å; S157-T160 PolarHBondContact OG-N 3.08Å; S157-T160 PolarHBondContact OG-OG1 2.82Å; S157-Y161 WeakPolarHBondContact O-CD2 3.29Å; S157-Y161 PolarHBondContact O-N 2.88Å; S157-E263 PolarHBondContact OG-OE2 2.79Å
158	M	96.6	Very high	96.1	Very high	130 Å²	130	44.6 Å²	44.6	64%	0.64	23%	0.233	S	C	*	.	H	α-helix	trans	-59.1	-32.5	174.3	-76.7	-56.4	-52.7	0	0	112.4	T160 Y161 M162	M158-T160 VanDerWaalsContact C-N 3.28Å; M158-T160 PolarHBondContact O-N 2.87Å; M158-Y161 WeakPolarHBondContact O-CB 3.46Å; M158-Y161 PolarHBondContact O-N 2.86Å; M158-Y161 VanDerWaalsContact O-N 3.13Å; M158-M162 WeakPolarHBondContact O-CG 3.23Å; M158-M162 PolarHBondContact O-N 3.33Å
159	D	96.7	Very high	96.4	Very high	103 Å²	103	45 Å²	45	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-60.9	-39	174.1	-66.9	-17.4	0	0	0	111.5	S157 M162 E163	S157-D159 PolarHBondContact O-N 2.78Å; D159-M162 PolarHBondContact O-N 3.03Å; D159-M162 WeakPolarHBondContact OD1-CE 3.02Å; D159-E163 WeakPolarHBondContact O-CB 3.44Å; D159-E163 PolarHBondContact O-N 3.44Å
160	T	95.6	Very high	96.7	Very high	17 Å²	17	50.8 Å²	50.8	10%	0.104	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-40.1	173.5	-60.2	0	0	0	0	111.8	T149 S157 M158 V164	T149-T160 HydrophobicContact CG2-CG2 3.8Å; S157-T160 WeakPolarHBondContact O-CA 3.21Å; S157-T160 VanDerWaalsContact O-CB 3.29Å; S157-T160 WeakPolarHBondContact O-CB 3.2Å; S157-T160 PolarHBondContact O-N 2.97Å; S157-T160 PolarHBondContact OG-N 3.08Å; S157-T160 PolarHBondContact OG-OG1 2.82Å; M158-T160 VanDerWaalsContact C-N 3.28Å; M158-T160 PolarHBondContact O-N 2.87Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 2.86Å
161	Y	97.5	Very high	97	Very high	37 Å²	37	50.4 Å²	50.4	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-45.4	173.1	-81.9	-101.5	0	0	0	111.7	T156 S157 M158 V164 A165 S206 P207 I210	T156-Y161 VanDerWaalsContact OG1-CE2 3.28Å; T156-Y161 WeakPolarHBondContact OG1-CE2 3.3Å; S157-Y161 WeakPolarHBondContact O-CD2 3.29Å; S157-Y161 PolarHBondContact O-N 2.88Å; M158-Y161 WeakPolarHBondContact O-CB 3.46Å; M158-Y161 PolarHBondContact O-N 2.86Å; M158-Y161 VanDerWaalsContact O-N 3.13Å; Y161-V164 PolarHBondContact O-N 3.11Å; Y161-A165 WeakPolarHBondContact O-CB 3.23Å; Y161-A165 PolarHBondContact O-N 3.23Å; Y161-S206 WeakPolarHBondContact OH-CB 3.14Å; Y161-S206 PolarHBondContact OH-OG 3.13Å; Y161-P207 HydrophobicContact CD1-CB 3.97Å; Y161-P207 HydrophobicContact CD1-CG 4.24Å; Y161-P207 HydrophobicContact CD2-CB 4.34Å; Y161-P207 HydrophobicContact CD2-CG 4.05Å; Y161-P207 HydrophobicContact CE1-CB 4.1Å; Y161-P207 HydrophobicContact CE1-CG 3.97Å; Y161-P207 HydrophobicContact CE2-CB 4.48Å; Y161-P207 HydrophobicContact CE2-CG 3.79Å; Y161-P207 HydrophobicContact CG-CB 4.09Å; Y161-P207 HydrophobicContact CG-CG 4.27Å; Y161-I210 HydrophobicContact CD1-CG2 4.28Å
162	M	98.1	Very high	97.3	Very high	104 Å²	104	50.6 Å²	50.6	51%	0.512	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-42.2	-179.6	-70.2	-173.5	-67.4	0	0	111.5	M158 D159 V164 A165 E166	M158-M162 WeakPolarHBondContact O-CG 3.23Å; M158-M162 PolarHBondContact O-N 3.33Å; D159-M162 PolarHBondContact O-N 3.03Å; D159-M162 WeakPolarHBondContact OD1-CE 3.02Å; M162-V164 PolarHBondContact O-N 3.01Å; M162-A165 PolarHBondContact O-N 3.33Å; M162-E166 VanDerWaalsContact O-CB 3.22Å; M162-E166 WeakPolarHBondContact O-CB 3.37Å; M162-E166 PolarHBondContact O-N 3.5Å
163	E	97.3	Very high	97.5	Very high	105 Å²	105	50.1 Å²	50.1	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-49.6	176.6	-175.7	-176.8	168.1	0	0	111.6	I147 D159 E166 V167 K259	I147-E163 HydrophobicContact CD1-CG 4.22Å; D159-E163 WeakPolarHBondContact O-CB 3.44Å; D159-E163 PolarHBondContact O-N 3.44Å; E163-E166 PolarHBondContact O-N 2.85Å; E163-V167 PolarHBondContact O-N 3.32Å; E163-K259 IonicContact OE2-NZ 3Å
164	V	97.7	Very high	97.6	Very high	3 Å²	3	48 Å²	48	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-39	179.5	-178.9	0	0	0	0	111.3	I147 T149 T160 Y161 M162 N168 T211	I147-V164 HydrophobicContact CD1-CG2 4.14Å; I147-V164 HydrophobicContact CG1-CG1 4.45Å; I147-V164 HydrophobicContact CG1-CG2 4.35Å; T149-V164 HydrophobicContact CG2-CG2 3.69Å; T160-V164 WeakPolarHBondContact O-CG2 3.47Å; T160-V164 PolarHBondContact O-N 2.86Å; Y161-V164 PolarHBondContact O-N 3.11Å; M162-V164 PolarHBondContact O-N 3.01Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.31Å; V164-N168 VanDerWaalsContact O-CB 3.28Å; V164-N168 WeakPolarHBondContact O-CB 3.31Å; V164-N168 PolarHBondContact O-N 2.81Å; V164-T211 HydrophobicContact CG1-CG2 4.07Å
165	A	98.7	Very high	97.8	Very high	15 Å²	15	43 Å²	43	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-38.9	176	0	0	0	0	0	112.7	Y161 M162 V167 L169 W170 T211	Y161-A165 WeakPolarHBondContact O-CB 3.23Å; Y161-A165 PolarHBondContact O-N 3.23Å; M162-A165 PolarHBondContact O-N 3.33Å; A165-V167 VanDerWaalsContact C-N 3.31Å; A165-V167 PolarHBondContact O-N 2.75Å; A165-L169 WeakPolarHBondContact O-CA 3.26Å; A165-L169 WeakPolarHBondContact O-CB 3.49Å; A165-L169 PolarHBondContact O-N 3.47Å; A165-W170 PolarHBondContact O-N 2.97Å; A165-T211 VanDerWaalsContact CA-CG2 3.46Å; A165-T211 HydrophobicContact CB-CG2 3.94Å
166	E	98.7	Very high	97.9	Very high	58 Å²	58	42.5 Å²	42.5	27%	0.271	21%	0.209	S	C	.	.	I	π-helix	trans	-60.3	-42.6	-179.4	-174	51	-136.1	0	0	111.6	C115 M162 E163 G171 R174	C115-E166 HydrophobicContact CB-CG 3.97Å; M162-E166 VanDerWaalsContact O-CB 3.22Å; M162-E166 WeakPolarHBondContact O-CB 3.37Å; M162-E166 PolarHBondContact O-N 3.5Å; E163-E166 PolarHBondContact O-N 2.85Å; E166-G171 PolarHBondContact O-N 3.26Å; E166-R174 IonicContact OE1-CZ 3.53Å; E166-R174 IonicContact OE1-NH1 3.5Å; E166-R174 PolarHBondContact OE1-NH1 2.81Å; E166-R174 IonicContact OE1-NH2 3.43Å; E166-R174 PolarHBondContact OE1-NH2 3.14Å; E166-R174 IonicContact OE2-NH2 2.73Å
167	V	98.4	Very high	98.1	Very high	26 Å²	26	48.8 Å²	48.8	16%	0.158	24%	0.235	C	C	.	.	I	π-helix	trans	-76	-58.3	176	-174.7	0	0	0	0	111.3	V114 I147 E163 A165 G171	V114-V167 HydrophobicContact CG2-CG1 4.15Å; I147-V167 HydrophobicContact CD1-CB 4.37Å; I147-V167 HydrophobicContact CD1-CG2 3.85Å; I147-V167 HydrophobicContact CG1-CB 4.06Å; I147-V167 HydrophobicContact CG1-CG1 4.43Å; I147-V167 HydrophobicContact CG1-CG2 4.07Å; I147-V167 HydrophobicContact CG2-CG1 4.37Å; E163-V167 PolarHBondContact O-N 3.32Å; A165-V167 VanDerWaalsContact C-N 3.31Å; A165-V167 PolarHBondContact O-N 2.75Å; V167-G171 WeakPolarHBondContact O-CA 3.41Å; V167-G171 PolarHBondContact O-N 2.93Å
168	N	98.6	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-75.5	-39.1	-163.9	-68.5	0.1	0	0	0	112.9	G146 I147 V164 T172 T211 V215	G146-N168 WeakPolarHBondContact CA-OD1 3.38Å; I147-N168 PolarHBondContact N-OD1 3.45Å; I147-N168 PolarHBondContact O-ND2 2.93Å; I147-N168 PolarHBondContact O-OD1 3.22Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.31Å; V164-N168 VanDerWaalsContact O-CB 3.28Å; V164-N168 WeakPolarHBondContact O-CB 3.31Å; V164-N168 PolarHBondContact O-N 2.81Å; N168-T172 WeakPolarHBondContact O-CB 3.25Å; N168-T172 PolarHBondContact O-OG1 3.47Å; N168-T211 HydrophobicContact CB-CG2 4.2Å; N168-T211 WeakPolarHBondContact CB-OG1 3.43Å; N168-T211 PolarHBondContact ND2-OG1 3.48Å; N168-V215 WeakPolarHBondContact O-CG2 3.24Å
169	L	98.8	Very high	98.3	Very high	26 Å²	26	42.3 Å²	42.3	14%	0.136	20%	0.204	C	C	.	.	I	π-helix	trans	-100.8	-62.2	-174.7	177.6	59.5	0	0	0	110.4	A165 G171 T172 V173 V215	A165-L169 WeakPolarHBondContact O-CA 3.26Å; A165-L169 WeakPolarHBondContact O-CB 3.49Å; A165-L169 PolarHBondContact O-N 3.47Å; L169-G171 PolarHBondContact O-N 3.42Å; L169-T172 WeakPolarHBondContact O-CB 3.34Å; L169-T172 PolarHBondContact O-N 3.45Å; L169-V173 HydrophobicContact CD1-CG2 4.44Å; L169-V173 WeakPolarHBondContact O-CG2 3.5Å; L169-V173 PolarHBondContact O-N 2.78Å; L169-V215 HydrophobicContact CD1-CG2 4.18Å
170	W	98.9	Very high	98.4	Very high	131 Å²	131	38.8 Å²	38.8	50%	0.496	19%	0.185	S	C	.	.	I	π-helix	trans	-68.3	-37.3	-175.1	-57.4	132.8	0	0	0	112	A165 T172 V173 R174	A165-W170 PolarHBondContact O-N 2.97Å; W170-T172 PolarHBondContact O-N 2.97Å; W170-V173 PolarHBondContact O-N 2.71Å; W170-R174 WeakPolarHBondContact O-CB 2.96Å; W170-R174 PolarHBondContact O-N 3.16Å
171	G	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-57.3	-48.5	170.7	0	0	0	0	0	112.5	V114 E166 V167 L169 V173 R174 T175	V114-G171 WeakPolarHBondContact O-CA 3.33Å; E166-G171 PolarHBondContact O-N 3.26Å; V167-G171 WeakPolarHBondContact O-CA 3.41Å; V167-G171 PolarHBondContact O-N 2.93Å; L169-G171 PolarHBondContact O-N 3.42Å; G171-V173 PolarHBondContact O-N 3.26Å; G171-R174 PolarHBondContact O-N 3.03Å; G171-T175 WeakPolarHBondContact O-CB 3.44Å; G171-T175 PolarHBondContact O-N 3.31Å; G171-T175 PolarHBondContact O-OG1 3.05Å; G171-T175 VanDerWaalsContact O-OG1 3.1Å
172	T	98.9	Very high	98.5	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-48	174.9	-64.9	0	0	0	0	111.8	N143 N168 L169 W170 T176 V215 F218	N143-T172 HydrophobicContact CB-CG2 3.9Å; N168-T172 WeakPolarHBondContact O-CB 3.25Å; N168-T172 PolarHBondContact O-OG1 3.47Å; L169-T172 WeakPolarHBondContact O-CB 3.34Å; L169-T172 PolarHBondContact O-N 3.45Å; W170-T172 PolarHBondContact O-N 2.97Å; T172-T176 WeakPolarHBondContact O-CB 3.23Å; T172-T176 PolarHBondContact O-N 3.43Å; T172-T176 PolarHBondContact O-OG1 3.02Å; T172-V215 HydrophobicContact CG2-CG2 4.39Å; T172-F218 HydrophobicContact CG2-CD1 4.23Å; T172-F218 HydrophobicContact CG2-CE1 4.18Å
173	V	98.9	Very high	98.5	Very high	28 Å²	28	34 Å²	34	17%	0.17	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-47.5	179.8	172.9	0	0	0	0	110.9	L169 W170 G171 T176 K177 F218	L169-V173 HydrophobicContact CD1-CG2 4.44Å; L169-V173 WeakPolarHBondContact O-CG2 3.5Å; L169-V173 PolarHBondContact O-N 2.78Å; W170-V173 PolarHBondContact O-N 2.71Å; G171-V173 PolarHBondContact O-N 3.26Å; V173-T176 PolarHBondContact O-N 3.17Å; V173-K177 HydrophobicContact CG1-CD 3.85Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CB 3.5Å; V173-K177 VanDerWaalsContact O-CG 3.28Å; V173-K177 WeakPolarHBondContact O-CG 3.35Å; V173-K177 PolarHBondContact O-N 3.31Å; V173-F218 HydrophobicContact CB-CZ 4.46Å; V173-F218 HydrophobicContact CG1-CE2 4.27Å; V173-F218 HydrophobicContact CG2-CD1 4.04Å; V173-F218 HydrophobicContact CG2-CD2 3.89Å; V173-F218 HydrophobicContact CG2-CE1 4.18Å; V173-F218 HydrophobicContact CG2-CE2 4.04Å; V173-F218 HydrophobicContact CG2-CG 3.89Å; V173-F218 HydrophobicContact CG2-CZ 4.18Å
174	R	98.8	Very high	98.5	Very high	55 Å²	55	34.7 Å²	34.7	21%	0.208	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-53.6	-178.2	-176.7	-175.9	-65.1	106.3	0.2	111.4	V114 S117 V120 E166 W170 G171 T176 K177 A178	V114-R174 WeakPolarHBondContact O-CD 3.4Å; V114-R174 PolarHBondContact O-NH1 3.34Å; S117-R174 WeakPolarHBondContact OG-CD 3.42Å; S117-R174 PolarHBondContact OG-NE 2.87Å; V120-R174 HydrophobicContact CG2-CG 4.34Å; E166-R174 IonicContact OE1-CZ 3.53Å; E166-R174 IonicContact OE1-NH1 3.5Å; E166-R174 PolarHBondContact OE1-NH1 2.81Å; E166-R174 IonicContact OE1-NH2 3.43Å; E166-R174 PolarHBondContact OE1-NH2 3.14Å; E166-R174 IonicContact OE2-NH2 2.73Å; W170-R174 WeakPolarHBondContact O-CB 2.96Å; W170-R174 PolarHBondContact O-N 3.16Å; G171-R174 PolarHBondContact O-N 3.03Å; R174-T176 VanDerWaalsContact C-N 3.35Å; R174-T176 PolarHBondContact O-N 3.48Å; R174-K177 PolarHBondContact O-N 3.37Å; R174-A178 WeakPolarHBondContact O-CB 3.19Å; R174-A178 PolarHBondContact O-N 2.85Å
175	T	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-42.9	178.5	-56.4	0	0	0	0	111.1	T61 L141 G171 K177 A178 F179	T61-T175 HydrophobicContact CG2-CG2 3.94Å; L141-T175 HydrophobicContact CD1-CG2 4.07Å; L141-T175 HydrophobicContact CD2-CG2 4.47Å; G171-T175 WeakPolarHBondContact O-CB 3.44Å; G171-T175 PolarHBondContact O-N 3.31Å; G171-T175 PolarHBondContact O-OG1 3.05Å; G171-T175 VanDerWaalsContact O-OG1 3.1Å; T175-K177 PolarHBondContact O-N 3.47Å; T175-A178 PolarHBondContact O-N 3.21Å; T175-F179 HydrophobicContact CG2-CD2 3.79Å; T175-F179 HydrophobicContact CG2-CE2 4.12Å; T175-F179 WeakPolarHBondContact O-CD2 3.44Å; T175-F179 PolarHBondContact O-N 3.48Å
176	T	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-51.7	176.5	-59.3	0	0	0	0	111.2	N143 T172 V173 R174 A178 F179 L180 V190 F218 L222	N143-T176 PolarHBondContact ND2-OG1 3.31Å; T172-T176 WeakPolarHBondContact O-CB 3.23Å; T172-T176 PolarHBondContact O-N 3.43Å; T172-T176 PolarHBondContact O-OG1 3.02Å; V173-T176 PolarHBondContact O-N 3.17Å; R174-T176 VanDerWaalsContact C-N 3.35Å; R174-T176 PolarHBondContact O-N 3.48Å; T176-A178 VanDerWaalsContact C-N 3.3Å; T176-A178 PolarHBondContact O-N 2.8Å; T176-F179 PolarHBondContact O-N 3.2Å; T176-L180 WeakPolarHBondContact O-CA 3.47Å; T176-L180 WeakPolarHBondContact O-CB 3.48Å; T176-L180 PolarHBondContact O-N 2.67Å; T176-V190 HydrophobicContact CG2-CG1 4.46Å; T176-F218 HydrophobicContact CG2-CE1 4.11Å; T176-F218 HydrophobicContact CG2-CZ 3.81Å; T176-L222 HydrophobicContact CG2-CD1 4.32Å; T176-L222 HydrophobicContact CG2-CD2 3.62Å
177	K	98.8	Very high	98.2	Very high	147 Å²	147	43.9 Å²	43.9	64%	0.639	20%	0.201	S	C	*	.	H	α-helix	trans	-58.7	-41.9	-179.5	-73	174.8	76	91.5	0	112.3	V173 R174 T175	V173-K177 HydrophobicContact CG1-CD 3.85Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CB 3.5Å; V173-K177 VanDerWaalsContact O-CG 3.28Å; V173-K177 WeakPolarHBondContact O-CG 3.35Å; V173-K177 PolarHBondContact O-N 3.31Å; R174-K177 PolarHBondContact O-N 3.37Å; T175-K177 PolarHBondContact O-N 3.47Å
178	A	98.8	Very high	98.1	Very high	26 Å²	26	42.6 Å²	42.6	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-41.6	-178.7	0	0	0	0	0	112.4	V120 V124 R174 T175 T176 P181	V120-A178 HydrophobicContact CG1-CB 3.43Å; V120-A178 VanDerWaalsContact CG1-CB 3.43Å; V124-A178 HydrophobicContact CG2-CB 3.82Å; R174-A178 WeakPolarHBondContact O-CB 3.19Å; R174-A178 PolarHBondContact O-N 2.85Å; T175-A178 PolarHBondContact O-N 3.21Å; T176-A178 VanDerWaalsContact C-N 3.3Å; T176-A178 PolarHBondContact O-N 2.8Å; A178-P181 WeakPolarHBondContact O-CD 3.31Å
179	F	98.8	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-88	-16.4	-179.5	-79.2	-88.1	0	0	0	114.3	L59 A123 V124 V127 L138 L141 T175 T176 P181 L182 I183	L59-F179 HydrophobicContact CD2-CD1 3.9Å; L59-F179 HydrophobicContact CD2-CD2 3.85Å; L59-F179 HydrophobicContact CD2-CE1 3.49Å; L59-F179 VanDerWaalsContact CD2-CE1 3.49Å; L59-F179 HydrophobicContact CD2-CE2 3.43Å; L59-F179 VanDerWaalsContact CD2-CE2 3.43Å; L59-F179 HydrophobicContact CD2-CG 4.07Å; L59-F179 HydrophobicContact CD2-CZ 3.24Å; A123-F179 HydrophobicContact CB-CZ 4.18Å; V124-F179 HydrophobicContact CB-CE1 4.36Å; V124-F179 HydrophobicContact CB-CE2 4.46Å; V124-F179 HydrophobicContact CB-CZ 4.14Å; V124-F179 HydrophobicContact CG2-CD1 4.1Å; V124-F179 HydrophobicContact CG2-CD2 3.63Å; V124-F179 HydrophobicContact CG2-CE1 3.86Å; V124-F179 HydrophobicContact CG2-CE2 3.37Å; V124-F179 HydrophobicContact CG2-CG 4Å; V124-F179 HydrophobicContact CG2-CZ 3.48Å; V124-F179 VanDerWaalsContact CG2-CZ 3.48Å; V127-F179 HydrophobicContact CB-CE1 3.98Å; V127-F179 HydrophobicContact CG1-CE1 4.17Å; V127-F179 HydrophobicContact CG2-CE1 4.04Å; V127-F179 HydrophobicContact CG2-CZ 4.34Å; L138-F179 HydrophobicContact CD2-CD1 3.72Å; L138-F179 HydrophobicContact CD2-CE1 4.29Å; L141-F179 HydrophobicContact CD2-CB 4.22Å; T175-F179 HydrophobicContact CG2-CD2 3.79Å; T175-F179 HydrophobicContact CG2-CE2 4.12Å; T175-F179 WeakPolarHBondContact O-CD2 3.44Å; T175-F179 PolarHBondContact O-N 3.48Å; T176-F179 PolarHBondContact O-N 3.2Å; F179-P181 VanDerWaalsContact C-N 3.32Å; F179-L182 HydrophobicContact CD1-CD1 3.9Å; F179-L182 HydrophobicContact CE1-CD1 4.29Å; F179-L182 WeakPolarHBondContact O-CB 3.48Å; F179-L182 PolarHBondContact O-N 2.88Å; F179-I183 PolarHBondContact O-N 3.46Å; F179-I183 VanDerWaalsContact O-N 3.14Å
180	L	98.6	Very high	98.1	Very high	29 Å²	29	41.9 Å²	41.9	15%	0.152	19%	0.189	C	C	.	.	H	α-helix	trans	-54.2	-37.6	-175.4	-164.5	60.7	0	0	0	114.1	T176 L182 I183 R184 L222 M226	T176-L180 WeakPolarHBondContact O-CA 3.47Å; T176-L180 WeakPolarHBondContact O-CB 3.48Å; T176-L180 PolarHBondContact O-N 2.67Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 3.23Å; L180-I183 PolarHBondContact O-N 2.89Å; L180-R184 WeakPolarHBondContact O-CB 3.07Å; L180-R184 PolarHBondContact O-N 3.11Å; L180-L222 HydrophobicContact CD1-CD1 4.22Å; L180-L222 HydrophobicContact CD2-CD1 3.87Å; L180-M226 HydrophobicContact CD1-CG 4.17Å; L180-M226 HydrophobicContact CD1-SD 3.83Å; L180-M226 HydrophobicContact CD2-CE 4.14Å; L180-M226 HydrophobicContact CD2-SD 3.82Å; L180-M226 HydrophobicContact CG-SD 3.98Å
181	P	98	Very high	98.1	Very high	53 Å²	53	35.7 Å²	35.7	34%	0.344	17%	0.165	S	C	.	.	H	α-helix	trans	-57.7	-39.9	174.5	-26.3	36.4	0	0	0	113.4	A178 F179 R185	A178-P181 WeakPolarHBondContact O-CD 3.31Å; F179-P181 VanDerWaalsContact C-N 3.32Å; P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 3.12Å
182	L	98.1	Very high	98.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-44.3	177.4	-66.2	167.9	0	0	0	111.5	V124 N128 L131 G137 L138 F179 L180 R184 R185 S186	V124-L182 HydrophobicContact CG1-CD1 4.14Å; N128-L182 HydrophobicContact CB-CD1 4.33Å; N128-L182 HydrophobicContact CB-CD2 4.19Å; N128-L182 WeakPolarHBondContact OD1-CD2 3.31Å; L131-L182 HydrophobicContact CD1-CD2 4.43Å; G137-L182 WeakPolarHBondContact CA-O 3.39Å; L138-L182 HydrophobicContact CB-CB 3.76Å; L138-L182 PolarHBondContact N-O 3.49Å; F179-L182 HydrophobicContact CD1-CD1 3.9Å; F179-L182 HydrophobicContact CE1-CD1 4.29Å; F179-L182 WeakPolarHBondContact O-CB 3.48Å; F179-L182 PolarHBondContact O-N 2.88Å; L180-L182 VanDerWaalsContact C-N 3.3Å; L180-L182 PolarHBondContact O-N 3.23Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.4Å; L182-R185 PolarHBondContact O-N 3.38Å; L182-S186 PolarHBondContact O-N 2.96Å
183	I	98.3	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-38.2	177.9	-56.2	-60.2	0	0	0	111.2	L138 L141 F179 L180 S186 K187 G188 V190 V231	L138-I183 HydrophobicContact CB-CD1 3.91Å; L138-I183 HydrophobicContact CD2-CD1 3.73Å; L138-I183 HydrophobicContact CG-CD1 3.74Å; L138-I183 WeakPolarHBondContact O-CA 3.32Å; L138-I183 VanDerWaalsContact O-CD1 3.32Å; L138-I183 WeakPolarHBondContact O-CD1 3.36Å; L141-I183 HydrophobicContact CB-CD1 4Å; L141-I183 HydrophobicContact CB-CG1 4.23Å; F179-I183 PolarHBondContact O-N 3.46Å; F179-I183 VanDerWaalsContact O-N 3.14Å; L180-I183 PolarHBondContact O-N 2.89Å; I183-S186 PolarHBondContact O-N 3.34Å; I183-S186 PolarHBondContact O-OG 3.44Å; I183-K187 PolarHBondContact O-N 3.24Å; I183-G188 PolarHBondContact O-N 2.8Å; I183-V190 HydrophobicContact CG2-CG2 4.03Å; I183-V231 HydrophobicContact CG2-CG1 3.75Å; I183-V231 HydrophobicContact CG2-CG2 4.08Å; I183-V231 WeakPolarHBondContact O-CG2 3.33Å
184	R	97.4	Very high	98	Very high	120 Å²	120	34.7 Å²	34.7	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-64.5	-42.4	177.9	-175.8	176.4	61.2	155.3	-2.6	112.1	L180 L182 S186 K187 Q229 V231	L180-R184 WeakPolarHBondContact O-CB 3.07Å; L180-R184 PolarHBondContact O-N 3.11Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 3.4Å; R184-S186 VanDerWaalsContact C-N 3.26Å; R184-S186 PolarHBondContact O-N 3.01Å; R184-K187 PolarHBondContact O-N 3.48Å; R184-Q229 HydrophobicContact CG-CB 3.92Å; R184-Q229 HydrophobicContact CG-CG 4.21Å; R184-V231 HydrophobicContact CB-CG2 4.4Å
185	R	95.9	Very high	97.9	Very high	108 Å²	108	32.6 Å²	32.6	41%	0.408	15%	0.152	S	C	.	.	H	α-helix	trans	-57.8	-40	175.6	-77.8	-166.3	-75	-98.6	10.2	112.1	P181 L182 K187	P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 3.12Å; L182-R185 PolarHBondContact O-N 3.38Å; R185-K187 VanDerWaalsContact C-N 3.32Å; R185-K187 PolarHBondContact O-N 3.48Å
186	S	95.3	Very high	97.7	Very high	26 Å²	26	33.2 Å²	33.2	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-80.8	-7.9	-179.3	74.3	0	0	0	0	114.5	K136 L138 L182 I183 R184 G188	K136-S186 WeakPolarHBondContact O-CA 3.42Å; K136-S186 WeakPolarHBondContact O-CB 3.14Å; K136-S186 PolarHBondContact O-N 2.9Å; L138-S186 VanDerWaalsContact O-CB 3.3Å; L138-S186 WeakPolarHBondContact O-CB 3.48Å; L138-S186 PolarHBondContact O-OG 3.5Å; L182-S186 PolarHBondContact O-N 2.96Å; I183-S186 PolarHBondContact O-N 3.34Å; I183-S186 PolarHBondContact O-OG 3.44Å; R184-S186 VanDerWaalsContact C-N 3.26Å; R184-S186 PolarHBondContact O-N 3.01Å; S186-G188 PolarHBondContact O-N 3.1Å; S186-G188 VanDerWaalsContact OG-CA 3.26Å; S186-G188 WeakPolarHBondContact OG-CA 3.41Å; S186-G188 PolarHBondContact OG-N 2.91Å; S186-G188 VanDerWaalsContact OG-N 3.13Å
187	K	96.3	Very high	97.6	Very high	135 Å²	135	34 Å²	34	59%	0.587	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.9	-165.6	-54.8	-179.2	-178.2	176.9	0	110.8	I183 R184 R185 R189 G230	I183-K187 PolarHBondContact O-N 3.24Å; R184-K187 PolarHBondContact O-N 3.48Å; R185-K187 VanDerWaalsContact C-N 3.32Å; R185-K187 PolarHBondContact O-N 3.48Å; K187-R189 PolarHBondContact O-NH1 3.32Å; K187-R189 VanDerWaalsContact O-NH1 3.07Å; K187-G230 CarbonylContact C-O 3.59Å
188	G	96.8	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.			trans	-82	-145.4	-164.9	0	0	0	0	0	114.7	W139 I183 S186 M232	W139-G188 CarbonylContact O-C 3.57Å; W139-G188 WeakPolarHBondContact O-CA 3.39Å; I183-G188 PolarHBondContact O-N 2.8Å; S186-G188 PolarHBondContact O-N 3.1Å; S186-G188 VanDerWaalsContact OG-CA 3.26Å; S186-G188 WeakPolarHBondContact OG-CA 3.41Å; S186-G188 PolarHBondContact OG-N 2.91Å; S186-G188 VanDerWaalsContact OG-N 3.13Å; G188-M232 PolarHBondContact O-N 3.39Å; G188-M232 VanDerWaalsContact O-N 3.09Å
189	R	98.2	Very high	97.2	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.038	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.2	-171.4	-57.1	-64.9	-178.9	-90.1	0.3	111	W139 G140 L141 K187 M232 L306	W139-R189 HydrophobicContact CH2-CG 4.45Å; W139-R189 VanDerWaalsContact CH2-CZ 3.41Å; W139-R189 VanDerWaalsContact CH2-NH1 3.34Å; W139-R189 HydrophobicContact CZ2-CG 3.73Å; W139-R189 PolarHBondContact O-N 2.97Å; G140-R189 CarbonylContact C-O 3.58Å; G140-R189 VanDerWaalsContact CA-O 3.3Å; G140-R189 WeakPolarHBondContact CA-O 3.46Å; L141-R189 PolarHBondContact N-O 3.23Å; K187-R189 PolarHBondContact O-NH1 3.32Å; K187-R189 VanDerWaalsContact O-NH1 3.07Å; R189-M232 CarbonylContact C-O 3.59Å; R189-M232 WeakPolarHBondContact CA-O 3.34Å; R189-M232 VanDerWaalsContact NH2-CE 3.33Å; R189-L306 HydrophobicContact CB-CD2 3.75Å; R189-L306 HydrophobicContact CG-CD2 4.37Å
190	V	98.9	Very high	96.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126	164.7	-178	0	0	0	0	107.9	L141 T176 I183 L222 V231 M232 V233 S234	L141-V190 CarbonylContact O-C 3.59Å; L141-V190 WeakPolarHBondContact O-CA 3.42Å; T176-V190 HydrophobicContact CG2-CG1 4.46Å; I183-V190 HydrophobicContact CG2-CG2 4.03Å; V190-L222 HydrophobicContact CB-CD2 4.39Å; V190-L222 HydrophobicContact CG1-CD2 4.07Å; V190-L222 HydrophobicContact CG2-CD2 4.45Å; V190-V231 HydrophobicContact CG2-CG1 4.21Å; V190-M232 PolarHBondContact N-O 3.4Å; V190-V233 HydrophobicContact CB-CG1 4.39Å; V190-V233 HydrophobicContact CB-CG2 4.28Å; V190-V233 CarbonylContact O-C 3.52Å; V190-V233 VanDerWaalsContact O-CA 3.31Å; V190-V233 WeakPolarHBondContact O-CA 3.48Å; V190-S234 PolarHBondContact O-N 2.98Å
191	V	98.9	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.4	176.7	-171.7	0	0	0	0	108.6	L141 V142 N143 S234 V236 V302 A305 L306	L141-V191 PolarHBondContact O-N 2.92Å; V142-V191 CarbonylContact C-O 3.4Å; V142-V191 VanDerWaalsContact CA-O 3.31Å; V142-V191 WeakPolarHBondContact CA-O 3.4Å; V142-V191 HydrophobicContact CG1-CB 4.4Å; V142-V191 HydrophobicContact CG2-CB 4.28Å; N143-V191 PolarHBondContact N-O 3.49Å; V191-S234 WeakPolarHBondContact CA-O 3.41Å; V191-V236 HydrophobicContact CG1-CG2 3.68Å; V191-V302 HydrophobicContact CB-CG1 4.48Å; V191-V302 HydrophobicContact CG1-CG1 4.14Å; V191-V302 HydrophobicContact CG1-CG2 4.24Å; V191-A305 HydrophobicContact CG1-CB 4.34Å; V191-A305 HydrophobicContact CG2-CB 3.74Å; V191-L306 HydrophobicContact CG2-CD2 3.92Å; V191-L306 HydrophobicContact CG2-CG 4.18Å
192	N	98.9	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.3	179.7	-66.9	-21.8	0	0	0	109.9	N143 S194 V215 S219 S234 V236	N143-N192 WeakPolarHBondContact CB-OD1 3.45Å; N143-N192 PolarHBondContact ND2-OD1 2.93Å; N192-S194 PolarHBondContact O-N 2.71Å; N192-V215 HydrophobicContact CB-CG1 4.01Å; N192-S219 PolarHBondContact ND2-OG 2.83Å; N192-S234 PolarHBondContact N-O 3.39Å; N192-V236 PolarHBondContact O-N 2.93Å
193	I	98.6	Very high	95.7	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.072	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	102.8	174.4	-53.1	-54.6	0	0	0	108.9	V142 N143 N144 K212 V236 P238 V302	V142-I193 HydrophobicContact CG1-CD1 4.44Å; V142-I193 HydrophobicContact CG1-CG1 4.41Å; N143-I193 WeakPolarHBondContact O-CG1 3.43Å; N143-I193 PolarHBondContact O-N 3.1Å; N144-I193 HydrophobicContact CB-CG1 3.77Å; I193-K212 PolarHBondContact O-NZ 2.8Å; I193-V236 HydrophobicContact CD1-CB 3.85Å; I193-V236 HydrophobicContact CD1-CG1 4.37Å; I193-V236 HydrophobicContact CD1-CG2 4.2Å; I193-P238 HydrophobicContact CG2-CG 4.18Å; I193-V302 HydrophobicContact CD1-CG2 3.66Å
194	S	97.8	Very high	95.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	17%	0.174	C	C	.	.			trans	-90.5	-134.4	173.5	-173.3	0	0	0	0	109.8	N192 E216 V236	N192-S194 PolarHBondContact O-N 2.71Å; S194-E216 WeakPolarHBondContact CB-OE1 3.45Å; S194-E216 PolarHBondContact OG-OE1 3.44Å; S194-V236 WeakPolarHBondContact CA-O 3.48Å; S194-V236 PolarHBondContact N-O 3.31Å
195	S	96.7	Very high	95.2	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	16%	0.158	C	C	.	.			trans	-169.3	162.4	174.2	177.7	0	0	0	0	108.1	M197 G198	S195-M197 PolarHBondContact O-N 2.93Å; S195-M197 VanDerWaalsContact O-N 3.12Å; S195-M197 PolarHBondContact OG-N 3.13Å; S195-M197 VanDerWaalsContact OG-N 3.08Å; S195-G198 PolarHBondContact O-N 3.01Å
196	M	95	Very high	95.2	Very high	14 Å²	14	25.7 Å²	25.7	7%	0.069	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-51.8	-29.4	160	61.7	174.5	-177.6	0	0	112.4	G198 R199 M200 P238 M318 W322	M196-G198 PolarHBondContact O-N 3.16Å; M196-R199 PolarHBondContact O-N 3.39Å; M196-R199 VanDerWaalsContact O-N 3.08Å; M196-M200 WeakPolarHBondContact O-CG 3.46Å; M196-M200 PolarHBondContact O-N 3.17Å; M196-P238 PolarHBondContact N-O 3.24Å; M196-M318 HydrophobicContact CB-CE 3.85Å; M196-M318 HydrophobicContact CB-SD 4.46Å; M196-W322 HydrophobicContact CE-CD2 3.79Å; M196-W322 HydrophobicContact CE-CE3 3.47Å; M196-W322 VanDerWaalsContact CE-CE3 3.47Å; M196-W322 HydrophobicContact CE-CG 4.42Å; M196-W322 HydrophobicContact CE-CH2 4.26Å; M196-W322 HydrophobicContact CE-CZ3 3.72Å; M196-W322 HydrophobicContact SD-CB 4Å; M196-W322 HydrophobicContact SD-CD2 3.88Å; M196-W322 HydrophobicContact SD-CE3 3.57Å; M196-W322 VanDerWaalsContact SD-CE3 3.57Å; M196-W322 HydrophobicContact SD-CG 4.07Å; M196-W322 HydrophobicContact SD-CZ3 4.34Å
197	M	94.9	Very high	95.3	Very high	17 Å²	17	24.5 Å²	24.5	8%	0.084	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-71.7	-2.6	174.1	-61.7	-61.1	112.1	0	0	114.3	S195 R199 M200 Y208 F213	S195-M197 PolarHBondContact O-N 2.93Å; S195-M197 VanDerWaalsContact O-N 3.12Å; S195-M197 PolarHBondContact OG-N 3.13Å; S195-M197 VanDerWaalsContact OG-N 3.08Å; M197-R199 VanDerWaalsContact C-N 3.26Å; M197-M200 CarbonylContact C-O 3.57Å; M197-M200 VanDerWaalsContact CA-O 3.3Å; M197-M200 WeakPolarHBondContact CA-O 3.38Å; M197-M200 HydrophobicContact CE-CE 3.25Å; M197-M200 HydrophobicContact CE-CG 3.92Å; M197-M200 HydrophobicContact CE-SD 3.69Å; M197-M200 HydrophobicContact SD-CE 4.08Å; M197-Y208 HydrophobicContact CB-CD1 4.09Å; M197-Y208 HydrophobicContact CB-CE1 4.01Å; M197-Y208 HydrophobicContact CG-CD1 4.35Å; M197-Y208 HydrophobicContact CG-CE1 4.29Å; M197-F213 WeakPolarHBondContact O-CD2 3.36Å; M197-F213 WeakPolarHBondContact O-CE2 3.46Å
198	G	96.1	Very high	95.3	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-80.1	-10	167.4	0	0	0	0	0	113.1	S195 M196 F213 E216	S195-G198 PolarHBondContact O-N 3.01Å; M196-G198 PolarHBondContact O-N 3.16Å; G198-F213 WeakPolarHBondContact O-CD1 3.21Å; G198-F213 WeakPolarHBondContact O-CD2 3.2Å; G198-F213 WeakPolarHBondContact O-CE1 3.16Å; G198-F213 WeakPolarHBondContact O-CG 3.21Å; G198-E216 WeakPolarHBondContact O-CG 3.44Å
199	R	94.1	Very high	95.4	Very high	67 Å²	67	19.9 Å²	19.9	25%	0.253	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-22.9	-178.5	-64.1	-174.8	60.9	-171.5	0.4	113.7	M196 M197 F213 E216 E237 H316 M326 T330	M196-R199 PolarHBondContact O-N 3.39Å; M196-R199 VanDerWaalsContact O-N 3.08Å; M197-R199 VanDerWaalsContact C-N 3.26Å; R199-F213 VanDerWaalsContact O-CZ 3.3Å; R199-F213 WeakPolarHBondContact O-CZ 3.5Å; R199-E216 HydrophobicContact CG-CG 4.49Å; R199-E237 VanDerWaalsContact CD-CD 3.49Å; R199-E237 WeakPolarHBondContact CD-OE1 3.16Å; R199-E237 VanDerWaalsContact CD-OE2 3.25Å; R199-E237 WeakPolarHBondContact CD-OE2 3.39Å; R199-E237 IonicContact NH1-OE2 2.98Å; R199-H316 PolarHBondContact NH1-NE2 2.88Å; R199-M326 HydrophobicContact CB-CG 4.38Å; R199-M326 HydrophobicContact CB-SD 4.47Å; R199-T330 HydrophobicContact CB-CG2 4.03Å; R199-T330 WeakPolarHBondContact O-CG2 3.23Å
200	M	91.9	Very high	95.3	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.025	14%	0.144	C	C	.	.	S	Bend	trans	-129.9	147.9	175	52	159.3	-73.1	0	0	110.9	M196 M197 M326 M329 Y341	M196-M200 WeakPolarHBondContact O-CG 3.46Å; M196-M200 PolarHBondContact O-N 3.17Å; M197-M200 CarbonylContact C-O 3.57Å; M197-M200 VanDerWaalsContact CA-O 3.3Å; M197-M200 WeakPolarHBondContact CA-O 3.38Å; M197-M200 HydrophobicContact CE-CE 3.25Å; M197-M200 HydrophobicContact CE-CG 3.92Å; M197-M200 HydrophobicContact CE-SD 3.69Å; M197-M200 HydrophobicContact SD-CE 4.08Å; M200-M326 HydrophobicContact CG-CG 4.25Å; M200-M326 HydrophobicContact SD-CB 4.15Å; M200-M329 HydrophobicContact CB-CB 4.04Å; M200-M329 HydrophobicContact CB-CE 4.12Å; M200-M329 HydrophobicContact CB-SD 4.21Å; M200-M329 HydrophobicContact CE-CE 3.61Å; M200-M329 HydrophobicContact CE-SD 3.22Å; M200-M329 WeakPolarHBondContact CE-SD 3.45Å; M200-M329 HydrophobicContact SD-CE 4.46Å; M200-M329 HydrophobicContact SD-SD 3.58Å; M200-Y341 HydrophobicContact CE-CE2 3.7Å
201	G	91.1	Very high	95.3	Very high	40 Å²	40	24.5 Å²	24.5	41%	0.412	14%	0.144	S	C	.	.			trans	-84.4	155.2	172.3	0	0	0	0	0	112.2	M329	G201-M329 WeakPolarHBondContact O-CE 3.44Å
202	S	89.1	Confident	95.3	Very high	26 Å²	26	24.9 Å²	24.9	18%	0.182	15%	0.145	C	C	.	.			trans	-133	138.5	167.6	177.8	0	0	0	0	110.1	R205 Y341	S202-R205 WeakPolarHBondContact O-CB 3.41Å; S202-R205 PolarHBondContact O-N 2.77Å; S202-Y341 WeakPolarHBondContact CB-OH 3.4Å; S202-Y341 PolarHBondContact OG-OH 3.05Å
203	P	89.8	Confident	95.3	Very high	83 Å²	83	29.2 Å²	29.2	54%	0.539	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	147.9	164.7	-22.3	33.5	0	0	0	111	R205 Y341	P203-R205 PolarHBondContact O-N 2.96Å; P203-R205 VanDerWaalsContact O-N 3.14Å; P203-Y341 HydrophobicContact CG-CD1 4.07Å; P203-Y341 HydrophobicContact CG-CE1 3.76Å
204	A	91.4	Very high	95.3	Very high	28 Å²	28	29.5 Å²	29.5	23%	0.231	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	18.4	-176.6	0	0	0	0	0	115.4	F150 G151 E152	F150-A204 CarbonylContact C-O 3.48Å; F150-A204 WeakPolarHBondContact CA-O 3.21Å; G151-A204 PolarHBondContact N-O 3.18Å; G151-A204 CarbonylContact O-C 3.57Å; G151-A204 VanDerWaalsContact O-C 3.28Å; G151-A204 WeakPolarHBondContact O-CA 3.33Å; E152-A204 HydrophobicContact CG-CB 4.39Å
205	R	93.3	Very high	95.3	Very high	31 Å²	31	29.5 Å²	29.5	12%	0.117	17%	0.171	C	C	.	.			trans	-132.5	12.1	-178.3	-57.4	-64.9	-172.7	170.6	6.8	113.9	S202 P203 P207 Y208 C209 Y248 M284	S202-R205 WeakPolarHBondContact O-CB 3.41Å; S202-R205 PolarHBondContact O-N 2.77Å; P203-R205 PolarHBondContact O-N 2.96Å; P203-R205 VanDerWaalsContact O-N 3.14Å; R205-P207 VanDerWaalsContact C-CD 3.44Å; R205-Y208 PolarHBondContact O-N 2.97Å; R205-C209 PolarHBondContact O-N 3.22Å; R205-C209 PolarHBondContact O-SG 2.82Å; R205-Y248 PolarHBondContact NH1-OH 3.31Å; R205-M284 VanDerWaalsContact NH2-CE 3.27Å; R205-M284 PolarHBondContact NH2-SD 3.18Å
206	S	96.3	Very high	95.4	Very high	29 Å²	29	29.5 Å²	29.5	20%	0.203	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-174.2	44.3	0	0	0	0	114.4	Y161 Y208 C209 I210	Y161-S206 WeakPolarHBondContact OH-CB 3.14Å; Y161-S206 PolarHBondContact OH-OG 3.13Å; S206-Y208 VanDerWaalsContact C-N 3.25Å; S206-Y208 PolarHBondContact O-N 3Å; S206-C209 PolarHBondContact O-N 2.77Å; S206-I210 WeakPolarHBondContact O-CG2 3.38Å; S206-I210 PolarHBondContact O-N 2.81Å; S206-I210 VanDerWaalsContact O-N 3.17Å
207	P	96.9	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-31.8	176.7	-18.8	31.2	0	0	0	112.7	T149 T156 Y161 R205 I210 T211	T149-P207 HydrophobicContact CG2-CB 3.65Å; T149-P207 HydrophobicContact CG2-CG 3.83Å; T156-P207 HydrophobicContact CG2-CG 4.08Å; Y161-P207 HydrophobicContact CD1-CB 3.97Å; Y161-P207 HydrophobicContact CD1-CG 4.24Å; Y161-P207 HydrophobicContact CD2-CB 4.34Å; Y161-P207 HydrophobicContact CD2-CG 4.05Å; Y161-P207 HydrophobicContact CE1-CB 4.1Å; Y161-P207 HydrophobicContact CE1-CG 3.97Å; Y161-P207 HydrophobicContact CE2-CB 4.48Å; Y161-P207 HydrophobicContact CE2-CG 3.79Å; Y161-P207 HydrophobicContact CG-CB 4.09Å; Y161-P207 HydrophobicContact CG-CG 4.27Å; R205-P207 VanDerWaalsContact C-CD 3.44Å; P207-I210 WeakPolarHBondContact O-CG2 3.38Å; P207-T211 WeakPolarHBondContact O-CG2 3.47Å
208	Y	97.1	Very high	95.8	Very high	30 Å²	30	32.7 Å²	32.7	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-79	-47.9	176.8	-177.4	-101.1	0	0	0	111.7	I147 S148 M197 R205 S206 I210 T211 K212	I147-Y208 WeakPolarHBondContact O-CD2 3.41Å; I147-Y208 WeakPolarHBondContact O-CE2 3.44Å; S148-Y208 VanDerWaalsContact OG-CD2 3.3Å; S148-Y208 WeakPolarHBondContact OG-CD2 3.35Å; M197-Y208 HydrophobicContact CB-CD1 4.09Å; M197-Y208 HydrophobicContact CB-CE1 4.01Å; M197-Y208 HydrophobicContact CG-CD1 4.35Å; M197-Y208 HydrophobicContact CG-CE1 4.29Å; R205-Y208 PolarHBondContact O-N 2.97Å; S206-Y208 VanDerWaalsContact C-N 3.25Å; S206-Y208 PolarHBondContact O-N 3Å; Y208-I210 PolarHBondContact O-N 2.82Å; Y208-T211 PolarHBondContact O-N 2.88Å; Y208-T211 VanDerWaalsContact O-N 3.16Å; Y208-T211 PolarHBondContact O-OG1 2.95Å; Y208-K212 HydrophobicContact CD1-CG 4.21Å; Y208-K212 HydrophobicContact CE1-CG 3.71Å; Y208-K212 HydrophobicContact CE2-CG 4.26Å; Y208-K212 VanDerWaalsContact CZ-CE 3.49Å; Y208-K212 PolarHBondContact O-N 3.16Å; Y208-K212 WeakPolarHBondContact OH-CE 3.46Å
209	C	97.3	Very high	95.9	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-49.2	-176	-63.4	0	0	0	0	111.2	R205 S206 T211 K212 F213	R205-C209 PolarHBondContact O-N 3.22Å; R205-C209 PolarHBondContact O-SG 2.82Å; S206-C209 PolarHBondContact O-N 2.77Å; C209-T211 PolarHBondContact O-N 3.32Å; C209-T211 VanDerWaalsContact O-N 3.13Å; C209-K212 PolarHBondContact O-N 3.45Å; C209-F213 WeakPolarHBondContact O-CD2 3.3Å; C209-F213 PolarHBondContact O-N 3.4Å
210	I	97.9	Very high	96.1	Very high	106 Å²	106	31 Å²	31	54%	0.544	19%	0.189	S	C	.	.	H	α-helix	trans	-55.3	-37.6	-178.7	-166.6	172.3	0	0	0	112.2	Y161 S206 P207 Y208 G214	Y161-I210 HydrophobicContact CD1-CG2 4.28Å; S206-I210 WeakPolarHBondContact O-CG2 3.38Å; S206-I210 PolarHBondContact O-N 2.81Å; S206-I210 VanDerWaalsContact O-N 3.17Å; P207-I210 WeakPolarHBondContact O-CG2 3.38Å; Y208-I210 PolarHBondContact O-N 2.82Å; I210-G214 PolarHBondContact O-N 2.97Å
211	T	98.5	Very high	96.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-69.8	-39.1	178.7	70.1	0	0	0	0	112.4	V164 A165 N168 P207 Y208 C209 G214 V215	V164-T211 HydrophobicContact CG1-CG2 4.07Å; A165-T211 VanDerWaalsContact CA-CG2 3.46Å; A165-T211 HydrophobicContact CB-CG2 3.94Å; N168-T211 HydrophobicContact CB-CG2 4.2Å; N168-T211 WeakPolarHBondContact CB-OG1 3.43Å; N168-T211 PolarHBondContact ND2-OG1 3.48Å; P207-T211 WeakPolarHBondContact O-CG2 3.47Å; Y208-T211 PolarHBondContact O-N 2.88Å; Y208-T211 VanDerWaalsContact O-N 3.16Å; Y208-T211 PolarHBondContact O-OG1 2.95Å; C209-T211 PolarHBondContact O-N 3.32Å; C209-T211 VanDerWaalsContact O-N 3.13Å; T211-G214 PolarHBondContact O-N 3.33Å; T211-V215 WeakPolarHBondContact O-CG2 3.48Å; T211-V215 PolarHBondContact O-N 3.45Å
212	K	98.3	Very high	96.8	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-73.4	-37.2	179.5	-64.5	-52.2	-166.4	178.7	0	112	I193 Y208 C209 G214 V215 E216	I193-K212 PolarHBondContact O-NZ 2.8Å; Y208-K212 HydrophobicContact CD1-CG 4.21Å; Y208-K212 HydrophobicContact CE1-CG 3.71Å; Y208-K212 HydrophobicContact CE2-CG 4.26Å; Y208-K212 VanDerWaalsContact CZ-CE 3.49Å; Y208-K212 PolarHBondContact O-N 3.16Å; Y208-K212 WeakPolarHBondContact OH-CE 3.46Å; C209-K212 PolarHBondContact O-N 3.45Å; K212-G214 VanDerWaalsContact C-N 3.3Å; K212-G214 PolarHBondContact O-N 2.96Å; K212-V215 PolarHBondContact O-N 3.15Å; K212-E216 PolarHBondContact O-N 3.18Å
213	F	98.6	Very high	97.3	Very high	91 Å²	91	33.8 Å²	33.8	40%	0.399	19%	0.193	S	C	.	.	H	α-helix	trans	-60.7	-40.6	168.3	-86.9	-98	0	0	0	111.5	M197 G198 R199 C209 V215 E216 A217	M197-F213 WeakPolarHBondContact O-CD2 3.36Å; M197-F213 WeakPolarHBondContact O-CE2 3.46Å; G198-F213 WeakPolarHBondContact O-CD1 3.21Å; G198-F213 WeakPolarHBondContact O-CD2 3.2Å; G198-F213 WeakPolarHBondContact O-CE1 3.16Å; G198-F213 WeakPolarHBondContact O-CG 3.21Å; R199-F213 VanDerWaalsContact O-CZ 3.3Å; R199-F213 WeakPolarHBondContact O-CZ 3.5Å; C209-F213 WeakPolarHBondContact O-CD2 3.3Å; C209-F213 PolarHBondContact O-N 3.4Å; F213-V215 PolarHBondContact O-N 3.27Å; F213-E216 WeakPolarHBondContact O-CB 3.23Å; F213-E216 PolarHBondContact O-N 3.08Å; F213-A217 PolarHBondContact O-N 2.96Å; F213-A217 VanDerWaalsContact O-N 3.07Å
214	G	98.8	Very high	97.7	Very high	21 Å²	21	36.7 Å²	36.7	22%	0.216	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-42.2	173.7	0	0	0	0	0	112.8	I210 T211 K212 A217 F218	I210-G214 PolarHBondContact O-N 2.97Å; T211-G214 PolarHBondContact O-N 3.33Å; K212-G214 VanDerWaalsContact C-N 3.3Å; K212-G214 PolarHBondContact O-N 2.96Å; G214-A217 PolarHBondContact O-N 3.01Å; G214-F218 VanDerWaalsContact O-CB 3.29Å; G214-F218 WeakPolarHBondContact O-CB 3.36Å; G214-F218 PolarHBondContact O-N 3.27Å
215	V	98.8	Very high	98.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-40	175.8	170	0	0	0	0	111.6	N168 L169 T172 N192 T211 K212 F213 S219	N168-V215 WeakPolarHBondContact O-CG2 3.24Å; L169-V215 HydrophobicContact CD1-CG2 4.18Å; T172-V215 HydrophobicContact CG2-CG2 4.39Å; N192-V215 HydrophobicContact CB-CG1 4.01Å; T211-V215 WeakPolarHBondContact O-CG2 3.48Å; T211-V215 PolarHBondContact O-N 3.45Å; K212-V215 PolarHBondContact O-N 3.15Å; F213-V215 PolarHBondContact O-N 3.27Å; V215-S219 VanDerWaalsContact O-CB 3.26Å; V215-S219 WeakPolarHBondContact O-CB 3.23Å; V215-S219 PolarHBondContact O-N 3.18Å; V215-S219 PolarHBondContact O-OG 3.16Å
216	E	98.7	Very high	98.3	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-54.1	173.1	-71.8	-61.1	140.2	0	0	111.3	S194 G198 R199 K212 F213 F218 S219 D220 I235 R314	S194-E216 WeakPolarHBondContact CB-OE1 3.45Å; S194-E216 PolarHBondContact OG-OE1 3.44Å; G198-E216 WeakPolarHBondContact O-CG 3.44Å; R199-E216 HydrophobicContact CG-CG 4.49Å; K212-E216 PolarHBondContact O-N 3.18Å; F213-E216 WeakPolarHBondContact O-CB 3.23Å; F213-E216 PolarHBondContact O-N 3.08Å; E216-F218 PolarHBondContact O-N 2.94Å; E216-S219 PolarHBondContact O-N 3.12Å; E216-D220 PolarHBondContact O-N 2.99Å; E216-I235 VanDerWaalsContact OE1-CG2 3.23Å; E216-I235 WeakPolarHBondContact OE1-CG2 3.44Å; E216-I235 VanDerWaalsContact OE2-CD1 3.25Å; E216-I235 WeakPolarHBondContact OE2-CD1 3.42Å; E216-R314 IonicContact OE2-CZ 3.59Å; E216-R314 IonicContact OE2-NE 3.49Å; E216-R314 PolarHBondContact OE2-NE 3.07Å; E216-R314 IonicContact OE2-NH2 2.8Å; E216-R314 PolarHBondContact OE2-NH2 3.47Å
217	A	98.8	Very high	98.3	Very high	57 Å²	57	46.3 Å²	46.3	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-45.9	-177.8	0	0	0	0	0	111.6	F213 G214 S219 D220 C221	F213-A217 PolarHBondContact O-N 2.96Å; F213-A217 VanDerWaalsContact O-N 3.07Å; G214-A217 PolarHBondContact O-N 3.01Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 3.33Å; A217-D220 PolarHBondContact O-N 3.15Å; A217-C221 PolarHBondContact O-N 2.88Å; A217-C221 VanDerWaalsContact O-N 3.08Å; A217-C221 PolarHBondContact O-SG 2.62Å; A217-C221 VanDerWaalsContact O-SG 3.39Å
218	F	98.9	Very high	98.4	Very high	41 Å²	41	50.9 Å²	50.9	18%	0.18	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-43.8	175.5	170.8	-114.4	0	0	0	111.9	T172 V173 T176 G214 E216 C221 L222	T172-F218 HydrophobicContact CG2-CD1 4.23Å; T172-F218 HydrophobicContact CG2-CE1 4.18Å; V173-F218 HydrophobicContact CB-CZ 4.46Å; V173-F218 HydrophobicContact CG1-CE2 4.27Å; V173-F218 HydrophobicContact CG2-CD1 4.04Å; V173-F218 HydrophobicContact CG2-CD2 3.89Å; V173-F218 HydrophobicContact CG2-CE1 4.18Å; V173-F218 HydrophobicContact CG2-CE2 4.04Å; V173-F218 HydrophobicContact CG2-CG 3.89Å; V173-F218 HydrophobicContact CG2-CZ 4.18Å; T176-F218 HydrophobicContact CG2-CE1 4.11Å; T176-F218 HydrophobicContact CG2-CZ 3.81Å; G214-F218 VanDerWaalsContact O-CB 3.29Å; G214-F218 WeakPolarHBondContact O-CB 3.36Å; G214-F218 PolarHBondContact O-N 3.27Å; E216-F218 PolarHBondContact O-N 2.94Å; F218-C221 PolarHBondContact O-N 3.2Å; F218-L222 HydrophobicContact CE1-CD2 4.41Å; F218-L222 HydrophobicContact CZ-CD2 4.34Å; F218-L222 WeakPolarHBondContact O-CB 3.27Å; F218-L222 PolarHBondContact O-N 3.49Å
219	S	98.9	Very high	98.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-39	-178.1	-58.4	0	0	0	0	112.4	N192 V215 E216 A217 R223 I235	N192-S219 PolarHBondContact ND2-OG 2.83Å; V215-S219 VanDerWaalsContact O-CB 3.26Å; V215-S219 WeakPolarHBondContact O-CB 3.23Å; V215-S219 PolarHBondContact O-N 3.18Å; V215-S219 PolarHBondContact O-OG 3.16Å; E216-S219 PolarHBondContact O-N 3.12Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 3.33Å; S219-R223 VanDerWaalsContact O-CB 3.28Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 2.79Å; S219-I235 VanDerWaalsContact CB-CD1 3.45Å; S219-I235 VanDerWaalsContact CB-CG1 3.48Å
220	D	98.7	Very high	98.4	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-44.3	175	-85	-32.6	0	0	0	111.8	E216 A217 R223 Y224 R314	E216-D220 PolarHBondContact O-N 2.99Å; A217-D220 PolarHBondContact O-N 3.15Å; D220-R223 WeakPolarHBondContact O-CB 3.39Å; D220-R223 PolarHBondContact O-N 3.41Å; D220-R223 IonicContact OD1-CZ 2.84Å; D220-R223 IonicContact OD1-NE 2.87Å; D220-R223 PolarHBondContact OD1-NE 3.08Å; D220-R223 IonicContact OD1-NH2 3.6Å; D220-R223 PolarHBondContact OD1-NH2 3.34Å; D220-Y224 HydrophobicContact CB-CE2 4.23Å; D220-Y224 WeakPolarHBondContact O-CD2 3.47Å; D220-Y224 WeakPolarHBondContact O-CE2 3.09Å; D220-Y224 VanDerWaalsContact O-CG 3.31Å; D220-Y224 PolarHBondContact O-N 3.47Å; D220-Y224 VanDerWaalsContact O-N 3.12Å; D220-R314 IonicContact OD1-CZ 3.48Å; D220-R314 IonicContact OD1-NH1 3.7Å; D220-R314 PolarHBondContact OD1-NH1 2.93Å; D220-R314 VanDerWaalsContact OD1-NH1 3.17Å; D220-R314 IonicContact OD1-NH2 3.42Å; D220-R314 IonicContact OD2-CZ 2.81Å; D220-R314 IonicContact OD2-NH1 3.34Å; D220-R314 PolarHBondContact OD2-NH1 3.19Å; D220-R314 IonicContact OD2-NH2 3.5Å; D220-R314 PolarHBondContact OD2-NH2 3.21Å
221	C	98.8	Very high	98.4	Very high	65 Å²	65	49.8 Å²	49.8	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-51.3	173.7	-68.1	0	0	0	0	111.3	A217 F218 R223 Y224 E225	A217-C221 PolarHBondContact O-N 2.88Å; A217-C221 VanDerWaalsContact O-N 3.08Å; A217-C221 PolarHBondContact O-SG 2.62Å; A217-C221 VanDerWaalsContact O-SG 3.39Å; F218-C221 PolarHBondContact O-N 3.2Å; C221-R223 VanDerWaalsContact C-N 3.28Å; C221-R223 PolarHBondContact O-N 3.21Å; C221-Y224 PolarHBondContact O-N 2.93Å; C221-Y224 VanDerWaalsContact O-N 3.12Å; C221-E225 WeakPolarHBondContact O-CG 3.22Å; C221-E225 PolarHBondContact O-N 2.8Å
222	L	98.8	Very high	98.4	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-42.6	178.9	-176.5	69.8	0	0	0	111.5	T176 L180 V190 F218 Y224 E225 M226 V233	T176-L222 HydrophobicContact CG2-CD1 4.32Å; T176-L222 HydrophobicContact CG2-CD2 3.62Å; L180-L222 HydrophobicContact CD1-CD1 4.22Å; L180-L222 HydrophobicContact CD2-CD1 3.87Å; V190-L222 HydrophobicContact CB-CD2 4.39Å; V190-L222 HydrophobicContact CG1-CD2 4.07Å; V190-L222 HydrophobicContact CG2-CD2 4.45Å; F218-L222 HydrophobicContact CE1-CD2 4.41Å; F218-L222 HydrophobicContact CZ-CD2 4.34Å; F218-L222 WeakPolarHBondContact O-CB 3.27Å; F218-L222 PolarHBondContact O-N 3.49Å; L222-Y224 VanDerWaalsContact C-N 3.34Å; L222-Y224 PolarHBondContact O-N 3.33Å; L222-E225 PolarHBondContact O-N 3.11Å; L222-M226 HydrophobicContact CD1-CG 3.75Å; L222-M226 HydrophobicContact CG-CG 4.09Å; L222-M226 WeakPolarHBondContact O-CB 3.3Å; L222-M226 VanDerWaalsContact O-CG 3.24Å; L222-M226 WeakPolarHBondContact O-CG 3.39Å; L222-M226 PolarHBondContact O-N 2.94Å; L222-V233 HydrophobicContact CD2-CG1 4.1Å; L222-V233 HydrophobicContact CD2-CG2 3.95Å; L222-V233 HydrophobicContact CG-CG2 3.92Å
223	R	98.6	Very high	98.4	Very high	57 Å²	57	52.6 Å²	52.6	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-42.7	178.3	-173.6	173.1	52.3	71.2	3.8	112.1	S219 D220 C221 Q227 V233	S219-R223 VanDerWaalsContact O-CB 3.28Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 2.79Å; D220-R223 WeakPolarHBondContact O-CB 3.39Å; D220-R223 PolarHBondContact O-N 3.41Å; D220-R223 IonicContact OD1-CZ 2.84Å; D220-R223 IonicContact OD1-NE 2.87Å; D220-R223 PolarHBondContact OD1-NE 3.08Å; D220-R223 IonicContact OD1-NH2 3.6Å; D220-R223 PolarHBondContact OD1-NH2 3.34Å; C221-R223 VanDerWaalsContact C-N 3.28Å; C221-R223 PolarHBondContact O-N 3.21Å; R223-Q227 PolarHBondContact O-N 3.48Å; R223-V233 HydrophobicContact CB-CB 3.85Å; R223-V233 HydrophobicContact CB-CG1 4.44Å; R223-V233 HydrophobicContact CB-CG2 4.25Å; R223-V233 HydrophobicContact CG-CB 4.19Å
224	Y	98.5	Very high	98.4	Very high	144 Å²	144	48.3 Å²	48.3	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-67.1	-45.1	178.1	-60.1	-42.2	0	0	0	111.7	D220 C221 L222 M226	D220-Y224 HydrophobicContact CB-CE2 4.23Å; D220-Y224 WeakPolarHBondContact O-CD2 3.47Å; D220-Y224 WeakPolarHBondContact O-CE2 3.09Å; D220-Y224 VanDerWaalsContact O-CG 3.31Å; D220-Y224 PolarHBondContact O-N 3.47Å; D220-Y224 VanDerWaalsContact O-N 3.12Å; C221-Y224 PolarHBondContact O-N 2.93Å; C221-Y224 VanDerWaalsContact O-N 3.12Å; L222-Y224 VanDerWaalsContact C-N 3.34Å; L222-Y224 PolarHBondContact O-N 3.33Å; Y224-M226 VanDerWaalsContact C-N 3.32Å; Y224-M226 PolarHBondContact O-N 2.84Å
225	E	98.6	Very high	98.4	Very high	130 Å²	130	47.5 Å²	47.5	61%	0.607	25%	0.25	S	S	*	.	H	α-helix	trans	-66.7	-34.5	-179.1	-69.4	174.9	-156.4	0	0	112.7	C221 L222 P228	C221-E225 WeakPolarHBondContact O-CG 3.22Å; C221-E225 PolarHBondContact O-N 2.8Å; L222-E225 PolarHBondContact O-N 3.11Å; E225-P228 WeakPolarHBondContact O-CD 3.32Å
226	M	98.4	Very high	98.4	Very high	22 Å²	22	47.4 Å²	47.4	11%	0.108	25%	0.25	C	S	.	.	H	α-helix	trans	-90.4	-12.1	-174	-72.1	-57.3	101.5	0	0	114.6	L180 L222 Y224 Q229 G230 V231	L180-M226 HydrophobicContact CD1-CG 4.17Å; L180-M226 HydrophobicContact CD1-SD 3.83Å; L180-M226 HydrophobicContact CD2-CE 4.14Å; L180-M226 HydrophobicContact CD2-SD 3.82Å; L180-M226 HydrophobicContact CG-SD 3.98Å; L222-M226 HydrophobicContact CD1-CG 3.75Å; L222-M226 HydrophobicContact CG-CG 4.09Å; L222-M226 WeakPolarHBondContact O-CB 3.3Å; L222-M226 VanDerWaalsContact O-CG 3.24Å; L222-M226 WeakPolarHBondContact O-CG 3.39Å; L222-M226 PolarHBondContact O-N 2.94Å; Y224-M226 VanDerWaalsContact C-N 3.32Å; Y224-M226 PolarHBondContact O-N 2.84Å; M226-Q229 CarbonylContact O-C 3.55Å; M226-Q229 WeakPolarHBondContact O-CA 3.41Å; M226-Q229 WeakPolarHBondContact O-CB 3.32Å; M226-Q229 PolarHBondContact O-N 3.07Å; M226-Q229 HydrophobicContact SD-CG 4.48Å; M226-G230 PolarHBondContact O-N 3.25Å; M226-V231 HydrophobicContact CB-CB 4.04Å; M226-V231 HydrophobicContact CB-CG1 4.36Å; M226-V231 PolarHBondContact O-N 3.5Å
227	Q	97.1	Very high	98.4	Very high	138 Å²	138	46.9 Å²	46.9	65%	0.645	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-54.7	-45.6	178.6	-172.9	-81.2	-3	0	0	113	R223 Q229 G230	R223-Q227 PolarHBondContact O-N 3.48Å; Q227-Q229 PolarHBondContact O-N 2.84Å; Q227-Q229 VanDerWaalsContact O-N 3.16Å; Q227-G230 PolarHBondContact O-N 3.29Å
228	P	97.9	Very high	98.3	Very high	96 Å²	96	44.6 Å²	44.6	62%	0.623	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-66.4	-19.3	179.1	-22.2	35	0	0	0	113.3	E225	E225-P228 WeakPolarHBondContact O-CD 3.32Å
229	Q	97.4	Very high	98	Very high	84 Å²	84	43 Å²	43	39%	0.393	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-90.6	-2	178.4	-54.7	-62.5	-49	0	0	112.7	R184 M226 Q227 V231	R184-Q229 HydrophobicContact CG-CB 3.92Å; R184-Q229 HydrophobicContact CG-CG 4.21Å; M226-Q229 CarbonylContact O-C 3.55Å; M226-Q229 WeakPolarHBondContact O-CA 3.41Å; M226-Q229 WeakPolarHBondContact O-CB 3.32Å; M226-Q229 PolarHBondContact O-N 3.07Å; M226-Q229 HydrophobicContact SD-CG 4.48Å; Q227-Q229 PolarHBondContact O-N 2.84Å; Q227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-V231 VanDerWaalsContact C-N 3.26Å; Q229-V231 PolarHBondContact O-N 2.92Å
230	G	96.9	Very high	97.6	Very high	33 Å²	33	43.9 Å²	43.9	34%	0.34	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	10.1	179.2	0	0	0	0	0	114.9	K187 M226 Q227	K187-G230 CarbonylContact C-O 3.59Å; M226-G230 PolarHBondContact O-N 3.25Å; Q227-G230 PolarHBondContact O-N 3.29Å
231	V	98.3	Very high	97.2	Very high	5 Å²	5	43 Å²	43	3%	0.03	22%	0.223	C	C	.	.			trans	-85	132.8	174.1	171.4	0	0	0	0	109.1	I183 R184 V190 M226 Q229	I183-V231 HydrophobicContact CG2-CG1 3.75Å; I183-V231 HydrophobicContact CG2-CG2 4.08Å; I183-V231 WeakPolarHBondContact O-CG2 3.33Å; R184-V231 HydrophobicContact CB-CG2 4.4Å; V190-V231 HydrophobicContact CG2-CG1 4.21Å; M226-V231 HydrophobicContact CB-CB 4.04Å; M226-V231 HydrophobicContact CB-CG1 4.36Å; M226-V231 PolarHBondContact O-N 3.5Å; Q229-V231 VanDerWaalsContact C-N 3.26Å; Q229-V231 PolarHBondContact O-N 2.92Å
232	M	98.5	Very high	96.5	Very high	63 Å²	63	41 Å²	41	31%	0.31	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.4	176.3	-51	-178.8	-165.5	0	0	110.3	G188 R189 V190 T309 P311	G188-M232 PolarHBondContact O-N 3.39Å; G188-M232 VanDerWaalsContact O-N 3.09Å; R189-M232 CarbonylContact C-O 3.59Å; R189-M232 WeakPolarHBondContact CA-O 3.34Å; R189-M232 VanDerWaalsContact NH2-CE 3.33Å; V190-M232 PolarHBondContact N-O 3.4Å; M232-T309 WeakPolarHBondContact CE-O 3.46Å; M232-P311 HydrophobicContact CB-CG 4.14Å; M232-P311 HydrophobicContact CG-CG 4.44Å; M232-P311 WeakPolarHBondContact SD-CD 3.23Å; M232-P311 HydrophobicContact SD-CG 3.39Å; M232-P311 WeakPolarHBondContact SD-CG 3.14Å
233	V	98.8	Very high	95.7	Very high	5 Å²	5	42 Å²	42	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.9	179.1	-175.2	0	0	0	0	108.4	V190 L222 R223	V190-V233 HydrophobicContact CB-CG1 4.39Å; V190-V233 HydrophobicContact CB-CG2 4.28Å; V190-V233 CarbonylContact O-C 3.52Å; V190-V233 VanDerWaalsContact O-CA 3.31Å; V190-V233 WeakPolarHBondContact O-CA 3.48Å; L222-V233 HydrophobicContact CD2-CG1 4.1Å; L222-V233 HydrophobicContact CD2-CG2 3.95Å; L222-V233 HydrophobicContact CG-CG2 3.92Å; R223-V233 HydrophobicContact CB-CB 3.85Å; R223-V233 HydrophobicContact CB-CG1 4.44Å; R223-V233 HydrophobicContact CB-CG2 4.25Å; R223-V233 HydrophobicContact CG-CB 4.19Å
234	S	98.9	Very high	94.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	178.5	-61.6	0	0	0	0	110.6	V190 V191 N192 Y312	V190-S234 PolarHBondContact O-N 2.98Å; V191-S234 WeakPolarHBondContact CA-O 3.41Å; N192-S234 PolarHBondContact N-O 3.39Å; S234-Y312 PolarHBondContact OG-O 3.02Å
235	I	98.9	Very high	94	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.1	174.5	-49.7	171.4	0	0	0	108.1	E216 S219 E237 T313 R314 Y315	E216-I235 VanDerWaalsContact OE1-CG2 3.23Å; E216-I235 WeakPolarHBondContact OE1-CG2 3.44Å; E216-I235 VanDerWaalsContact OE2-CD1 3.25Å; E216-I235 WeakPolarHBondContact OE2-CD1 3.42Å; S219-I235 VanDerWaalsContact CB-CD1 3.45Å; S219-I235 VanDerWaalsContact CB-CG1 3.48Å; I235-E237 HydrophobicContact CG2-CG 4.21Å; I235-T313 PolarHBondContact N-O 3.25Å; I235-R314 HydrophobicContact CB-CG 4.22Å; I235-R314 HydrophobicContact CD1-CG 4.38Å; I235-R314 CarbonylContact O-C 3.51Å; I235-R314 VanDerWaalsContact O-CA 3.3Å; I235-R314 WeakPolarHBondContact O-CA 3.47Å; I235-Y315 PolarHBondContact O-N 2.97Å
236	V	98.8	Very high	92.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	171.9	-176.2	0	0	0	0	107.5	V191 N192 I193 S194 P238 V298 V302 Y315 P317	V191-V236 HydrophobicContact CG1-CG2 3.68Å; N192-V236 PolarHBondContact O-N 2.93Å; I193-V236 HydrophobicContact CD1-CB 3.85Å; I193-V236 HydrophobicContact CD1-CG1 4.37Å; I193-V236 HydrophobicContact CD1-CG2 4.2Å; S194-V236 WeakPolarHBondContact CA-O 3.48Å; S194-V236 PolarHBondContact N-O 3.31Å; V236-P238 VanDerWaalsContact C-CD 3.45Å; V236-P238 HydrophobicContact CG1-CG 4.32Å; V236-P238 WeakPolarHBondContact O-CD 3.45Å; V236-V298 HydrophobicContact CG1-CG1 4.34Å; V236-V302 HydrophobicContact CG2-CG2 3.94Å; V236-Y315 HydrophobicContact CG2-CD2 4.24Å; V236-Y315 HydrophobicContact CG2-CG 4.46Å; V236-P317 HydrophobicContact CG1-CG 3.55Å
237	E	97.9	Very high	91.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.			trans	-113	80.7	-176.8	-62.8	173.1	-169.7	0	0	109.8	R199 I235 R314 Y315 H316 P317 M318	R199-E237 VanDerWaalsContact CD-CD 3.49Å; R199-E237 WeakPolarHBondContact CD-OE1 3.16Å; R199-E237 VanDerWaalsContact CD-OE2 3.25Å; R199-E237 WeakPolarHBondContact CD-OE2 3.39Å; R199-E237 IonicContact NH1-OE2 2.98Å; I235-E237 HydrophobicContact CG2-CG 4.21Å; E237-R314 VanDerWaalsContact OE1-CD 3.28Å; E237-R314 WeakPolarHBondContact OE1-CD 2.88Å; E237-R314 IonicContact OE1-NE 3.77Å; E237-R314 PolarHBondContact OE1-NE 3.44Å; E237-Y315 PolarHBondContact N-O 3.45Å; E237-H316 IonicContact OE2-CD2 3.17Å; E237-H316 PolarHBondContact OE2-CD2 3.37Å; E237-H316 IonicContact OE2-NE2 3.51Å; E237-H316 PolarHBondContact OE2-NE2 3.37Å; E237-P317 WeakPolarHBondContact O-CD 3.45Å; E237-M318 HydrophobicContact CB-CE 4.25Å; E237-M318 WeakPolarHBondContact O-CE 3.4Å
238	P	96.6	Very high	91.1	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.052	17%	0.17	C	C	.	.			trans	-62.3	145.1	175.3	-22.6	33.7	0	0	0	112.6	F67 I193 M196 V236 F241 V298 P317	F67-P238 HydrophobicContact CE2-CB 4.35Å; F67-P238 HydrophobicContact CE2-CG 4.21Å; F67-P238 HydrophobicContact CZ-CB 4.48Å; I193-P238 HydrophobicContact CG2-CG 4.18Å; M196-P238 PolarHBondContact N-O 3.24Å; V236-P238 VanDerWaalsContact C-CD 3.45Å; V236-P238 HydrophobicContact CG1-CG 4.32Å; V236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-F241 HydrophobicContact CB-CD2 3.79Å; P238-F241 HydrophobicContact CB-CE2 3.76Å; P238-V298 HydrophobicContact CB-CG2 4.13Å; P238-V298 HydrophobicContact CG-CG1 4.2Å; P238-V298 HydrophobicContact CG-CG2 4.15Å; P238-P317 HydrophobicContact CG-CG 4.41Å
239	G	93.4	Very high	90.3	Very high	9 Å²	9	24.8 Å²	24.8	9%	0.093	15%	0.147	C	C	.	.			trans	-76.6	-140.2	166.4	0	0	0	0	0	112.4	F241 P317	G239-F241 PolarHBondContact O-N 3.3Å; G239-P317 PolarHBondContact N-O 3.25Å
240	N	90.1	Very high	89.7	Confident	18 Å²	18	24.5 Å²	24.5	10%	0.096	15%	0.152	C	C	.	.			trans	-85.2	110.5	177.6	-173	4	0	0	0	112.3	I242 S290 G291 S292 W322	N240-I242 WeakPolarHBondContact OD1-CD1 3.43Å; N240-I242 VanDerWaalsContact OD1-CG1 3.26Å; N240-I242 WeakPolarHBondContact OD1-CG1 3.3Å; N240-I242 PolarHBondContact OD1-N 2.78Å; N240-I242 VanDerWaalsContact OD1-N 3.13Å; N240-S290 PolarHBondContact ND2-OG 3.11Å; N240-S290 PolarHBondContact OD1-O 3.4Å; N240-G291 PolarHBondContact ND2-N 2.99Å; N240-G291 CarbonylContact O-C 3.54Å; N240-G291 WeakPolarHBondContact O-CA 3.22Å; N240-S292 PolarHBondContact O-N 3.46Å; N240-W322 HydrophobicContact CB-CZ2 3.89Å
241	F	89.9	Confident	89.2	Confident	14 Å²	14	29.2 Å²	29.2	6%	0.061	17%	0.166	C	C	.	.			trans	-128	30.8	173.3	-63.6	-98.5	0	0	0	111.7	F67 P238 G239 A243 A244 T245 D294 V298 P317	F67-F241 HydrophobicContact CE1-CB 4.22Å; F67-F241 HydrophobicContact CE1-CD1 4.08Å; F67-F241 HydrophobicContact CE1-CG 4.13Å; F67-F241 HydrophobicContact CZ-CB 3.58Å; F67-F241 HydrophobicContact CZ-CD1 4.02Å; F67-F241 AromaticContact CZ-CD2 3.91Å; F67-F241 HydrophobicContact CZ-CD2 3.91Å; F67-F241 AromaticContact CZ-CG 3.59Å; F67-F241 HydrophobicContact CZ-CG 3.59Å; P238-F241 HydrophobicContact CB-CD2 3.79Å; P238-F241 HydrophobicContact CB-CE2 3.76Å; G239-F241 PolarHBondContact O-N 3.3Å; F241-A243 VanDerWaalsContact C-N 3.25Å; F241-A243 PolarHBondContact O-N 3.22Å; F241-A244 HydrophobicContact CB-CB 4.43Å; F241-A244 PolarHBondContact O-N 3.2Å; F241-A244 VanDerWaalsContact O-N 3.08Å; F241-T245 HydrophobicContact CB-CG2 4.23Å; F241-T245 WeakPolarHBondContact O-CG2 3.22Å; F241-T245 PolarHBondContact O-N 2.89Å; F241-T245 PolarHBondContact O-OG1 3.31Å; F241-D294 VanDerWaalsContact CE1-O 3.23Å; F241-D294 WeakPolarHBondContact CE1-O 3.42Å; F241-V298 HydrophobicContact CD2-CG2 4.36Å; F241-V298 HydrophobicContact CE1-CG2 3.94Å; F241-V298 HydrophobicContact CE2-CG2 3.79Å; F241-V298 HydrophobicContact CZ-CG2 3.56Å; F241-P317 WeakPolarHBondContact CE2-O 3.45Å; F241-P317 WeakPolarHBondContact CZ-O 3.39Å
242	I	84.5	Confident	88.7	Confident	22 Å²	22	35.6 Å²	35.6	11%	0.113	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-45	-178.8	-68.2	169.2	0	0	0	110.1	N240 A244 T245 Y248 Y287	N240-I242 WeakPolarHBondContact OD1-CD1 3.43Å; N240-I242 VanDerWaalsContact OD1-CG1 3.26Å; N240-I242 WeakPolarHBondContact OD1-CG1 3.3Å; N240-I242 PolarHBondContact OD1-N 2.78Å; N240-I242 VanDerWaalsContact OD1-N 3.13Å; I242-A244 PolarHBondContact O-N 3.03Å; I242-T245 PolarHBondContact O-N 2.71Å; I242-Y248 HydrophobicContact CD1-CD2 4.21Å; I242-Y248 HydrophobicContact CG1-CD2 4.14Å; I242-Y248 HydrophobicContact CG2-CD2 3.9Å; I242-Y248 HydrophobicContact CG2-CG 4.39Å; I242-Y287 WeakPolarHBondContact CG2-O 3.33Å
243	A	82.1	Confident	88.2	Confident	30 Å²	30	32.6 Å²	32.6	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-23.7	177.7	0	0	0	0	0	115.1	F241 S290 T293	F241-A243 VanDerWaalsContact C-N 3.25Å; F241-A243 PolarHBondContact O-N 3.22Å; A243-S290 WeakPolarHBondContact CB-O 3.14Å; A243-S290 PolarHBondContact N-O 3.16Å; A243-S290 VanDerWaalsContact N-O 3.11Å; A243-T293 HydrophobicContact CB-CG2 4.02Å
244	A	82.4	Confident	87.8	Confident	23 Å²	23	38.5 Å²	38.5	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-97.3	-22.8	-177.5	0	0	0	0	0	114.3	F241 I242 S292 T295	F241-A244 HydrophobicContact CB-CB 4.43Å; F241-A244 PolarHBondContact O-N 3.2Å; F241-A244 VanDerWaalsContact O-N 3.08Å; I242-A244 PolarHBondContact O-N 3.03Å; A244-S292 WeakPolarHBondContact CB-O 3.4Å; A244-T295 HydrophobicContact CB-CG2 3.53Å
245	T	78.7	Confident	87.5	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-104.1	-10.2	-165.9	52.9	0	0	0	0	113.7	F67 F241 I242 L247	F67-T245 HydrophobicContact CD1-CG2 4.26Å; F67-T245 HydrophobicContact CD2-CG2 4Å; F67-T245 HydrophobicContact CE1-CG2 3.94Å; F67-T245 HydrophobicContact CE2-CG2 3.66Å; F67-T245 HydrophobicContact CG-CG2 4.28Å; F67-T245 HydrophobicContact CZ-CG2 3.63Å; F241-T245 HydrophobicContact CB-CG2 4.23Å; F241-T245 WeakPolarHBondContact O-CG2 3.22Å; F241-T245 PolarHBondContact O-N 2.89Å; F241-T245 PolarHBondContact O-OG1 3.31Å; I242-T245 PolarHBondContact O-N 2.71Å; T245-L247 PolarHBondContact O-N 2.79Å
246	N	73.9	Confident	87.2	Confident	98 Å²	98	43 Å²	43	52%	0.524	23%	0.231	S	C	.	.			trans	53	19.3	-174.9	-64.6	-34.4	0	0	0	114.1	Y248 R252	N246-Y248 PolarHBondContact O-N 2.85Å; N246-R252 PolarHBondContact O-NE 3.11Å
247	L	78.6	Confident	87	Confident	59 Å²	59	43.2 Å²	43.2	31%	0.309	23%	0.234	S	C	.	.	S	Bend	trans	-58.7	-29.3	173.9	-77.6	174	0	0	0	111.2	T245	T245-L247 PolarHBondContact O-N 2.79Å
248	Y	80.1	Confident	86.8	Confident	9 Å²	9	46.6 Å²	46.6	4%	0.035	25%	0.251	C	S	.	.	S	Bend	trans	-122.3	119.2	169.6	-67.2	-70.7	0	0	0	108.8	S148 T149 F150 R205 I242 N246 I253 M284	S148-Y248 WeakPolarHBondContact CB-OH 3.28Å; S148-Y248 PolarHBondContact OG-OH 3.27Å; T149-Y248 WeakPolarHBondContact CA-OH 3.18Å; T149-Y248 PolarHBondContact N-OH 3.13Å; T149-Y248 VanDerWaalsContact N-OH 3.1Å; T149-Y248 PolarHBondContact O-OH 2.9Å; F150-Y248 HydrophobicContact CD1-CD1 4.5Å; F150-Y248 AromaticContact CD1-CE1 3.94Å; F150-Y248 HydrophobicContact CD1-CE1 3.94Å; R205-Y248 PolarHBondContact NH1-OH 3.31Å; I242-Y248 HydrophobicContact CD1-CD2 4.21Å; I242-Y248 HydrophobicContact CG1-CD2 4.14Å; I242-Y248 HydrophobicContact CG2-CD2 3.9Å; I242-Y248 HydrophobicContact CG2-CG 4.39Å; N246-Y248 PolarHBondContact O-N 2.85Å; Y248-I253 HydrophobicContact CD1-CD1 4.04Å; Y248-I253 HydrophobicContact CD1-CG1 3.81Å; Y248-I253 HydrophobicContact CG-CD1 4.29Å; Y248-M284 HydrophobicContact CD1-CE 3.48Å; Y248-M284 VanDerWaalsContact CD1-CE 3.48Å; Y248-M284 HydrophobicContact CD2-CE 3.74Å; Y248-M284 HydrophobicContact CE1-CE 3.66Å; Y248-M284 HydrophobicContact CE2-CE 3.93Å; Y248-M284 HydrophobicContact CG-CE 3.53Å
249	S	82.3	Confident	86.7	Confident	21 Å²	21	50 Å²	50	15%	0.147	27%	0.266	C	S	.	.			trans	-112.9	157.9	161.2	85	0	0	0	0	108.6	E251 R252 I253	S249-E251 VanDerWaalsContact CB-OE2 3.28Å; S249-E251 WeakPolarHBondContact CB-OE2 3.34Å; S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 PolarHBondContact OG-N 2.83Å; S249-E251 PolarHBondContact OG-OE2 2.84Å; S249-R252 PolarHBondContact O-N 3.22Å; S249-R252 VanDerWaalsContact O-N 3.12Å; S249-R252 PolarHBondContact OG-N 3.2Å; S249-I253 PolarHBondContact O-N 2.87Å
250	P	83.9	Confident	86.8	Confident	78 Å²	78	50.2 Å²	50.2	51%	0.506	26%	0.264	S	S	.	.	H	α-helix	trans	-51.9	-40.6	175.7	-27.2	36	0	0	0	112.5	I253 K254	P250-I253 PolarHBondContact O-N 3.41Å; P250-K254 WeakPolarHBondContact O-CB 3.47Å; P250-K254 PolarHBondContact O-N 2.92Å
251	E	86.8	Confident	87.1	Confident	132 Å²	132	51.1 Å²	51.1	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-43.1	179.4	-54.3	71.1	-150.8	0	0	111.6	S249 K254 A255	S249-E251 VanDerWaalsContact CB-OE2 3.28Å; S249-E251 WeakPolarHBondContact CB-OE2 3.34Å; S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 PolarHBondContact OG-N 2.83Å; S249-E251 PolarHBondContact OG-OE2 2.84Å; E251-K254 PolarHBondContact O-N 3.38Å; E251-A255 WeakPolarHBondContact O-CB 3.39Å; E251-A255 PolarHBondContact O-N 2.54Å
252	R	87	Confident	87.3	Confident	140 Å²	140	55.9 Å²	55.9	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-40.5	176.1	-67.6	-172.2	-140.5	-79.6	-1.8	111.4	N246 S249 A255 I256	N246-R252 PolarHBondContact O-NE 3.11Å; S249-R252 PolarHBondContact O-N 3.22Å; S249-R252 VanDerWaalsContact O-N 3.12Å; S249-R252 PolarHBondContact OG-N 3.2Å; R252-A255 PolarHBondContact O-N 2.79Å; R252-I256 WeakPolarHBondContact O-CB 3.05Å; R252-I256 VanDerWaalsContact O-CG1 3.25Å; R252-I256 WeakPolarHBondContact O-CG1 3.48Å; R252-I256 PolarHBondContact O-N 3.49Å
253	I	88.4	Confident	87.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-46	178.7	-80.5	161.2	0	0	0	110.8	F150 Y248 S249 P250 A255 I256 A257 V281 M284 E285 C288	F150-I253 HydrophobicContact CD1-CG1 4.42Å; F150-I253 HydrophobicContact CE1-CB 4.14Å; F150-I253 HydrophobicContact CE1-CG1 3.81Å; F150-I253 HydrophobicContact CE1-CG2 4Å; F150-I253 HydrophobicContact CZ-CB 4.46Å; F150-I253 HydrophobicContact CZ-CG1 4.49Å; F150-I253 HydrophobicContact CZ-CG2 3.83Å; Y248-I253 HydrophobicContact CD1-CD1 4.04Å; Y248-I253 HydrophobicContact CD1-CG1 3.81Å; Y248-I253 HydrophobicContact CG-CD1 4.29Å; S249-I253 PolarHBondContact O-N 2.87Å; P250-I253 PolarHBondContact O-N 3.41Å; I253-A255 PolarHBondContact O-N 2.92Å; I253-I256 PolarHBondContact O-N 3.39Å; I253-A257 WeakPolarHBondContact O-CB 3.46Å; I253-A257 PolarHBondContact O-N 3.45Å; I253-V281 HydrophobicContact CG2-CG1 4.33Å; I253-M284 HydrophobicContact CD1-CE 4.06Å; I253-M284 HydrophobicContact CD1-CG 4.29Å; I253-M284 HydrophobicContact CG1-CG 4.45Å; I253-E285 HydrophobicContact CG2-CG 3.84Å; I253-C288 WeakPolarHBondContact CD1-SG 2.81Å
254	K	91	Very high	88.4	Confident	129 Å²	129	58.3 Å²	58.3	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-47.8	175.1	-176	177.2	177.7	-176.5	0	111.5	P250 E251 I256 A257 D258	P250-K254 WeakPolarHBondContact O-CB 3.47Å; P250-K254 PolarHBondContact O-N 2.92Å; E251-K254 PolarHBondContact O-N 3.38Å; K254-I256 VanDerWaalsContact C-N 3.34Å; K254-I256 PolarHBondContact O-N 2.79Å; K254-A257 PolarHBondContact O-N 3.14Å; K254-D258 WeakPolarHBondContact O-CB 3.41Å; K254-D258 VanDerWaalsContact O-CG 3.32Å; K254-D258 PolarHBondContact O-N 3.5Å
255	A	92	Very high	89	Confident	60 Å²	60	60.5 Å²	60.5	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-41.2	178.7	0	0	0	0	0	112.8	E251 R252 I253 K259	E251-A255 WeakPolarHBondContact O-CB 3.39Å; E251-A255 PolarHBondContact O-N 2.54Å; R252-A255 PolarHBondContact O-N 2.79Å; I253-A255 PolarHBondContact O-N 2.92Å; A255-K259 WeakPolarHBondContact O-CB 3.31Å; A255-K259 PolarHBondContact O-N 3.25Å; A255-K259 VanDerWaalsContact O-N 3.1Å
256	I	93	Very high	89.9	Confident	38 Å²	38	67.8 Å²	67.8	20%	0.195	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-45.6	174.7	-69.6	164.6	0	0	0	110.3	F150 R252 I253 K254 M260	F150-I256 HydrophobicContact CD1-CB 4.5Å; F150-I256 HydrophobicContact CD1-CD1 4.31Å; F150-I256 HydrophobicContact CD1-CG2 3.91Å; F150-I256 HydrophobicContact CE1-CB 3.74Å; F150-I256 HydrophobicContact CE1-CD1 4.12Å; F150-I256 HydrophobicContact CE1-CG2 3.47Å; F150-I256 VanDerWaalsContact CE1-CG2 3.47Å; F150-I256 HydrophobicContact CZ-CB 4.24Å; F150-I256 HydrophobicContact CZ-CG2 3.87Å; R252-I256 WeakPolarHBondContact O-CB 3.05Å; R252-I256 VanDerWaalsContact O-CG1 3.25Å; R252-I256 WeakPolarHBondContact O-CG1 3.48Å; R252-I256 PolarHBondContact O-N 3.49Å; I253-I256 PolarHBondContact O-N 3.39Å; K254-I256 VanDerWaalsContact C-N 3.34Å; K254-I256 PolarHBondContact O-N 2.79Å; I256-M260 HydrophobicContact CG2-CE 3.78Å; I256-M260 WeakPolarHBondContact O-CB 3.36Å; I256-M260 PolarHBondContact O-N 3.29Å
257	A	94.4	Very high	91	Very high	6 Å²	6	68.6 Å²	68.6	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-44.6	-179.6	0	0	0	0	0	112.2	F150 I253 K254 M260 W261 F277 V281	F150-A257 HydrophobicContact CZ-CB 4.32Å; I253-A257 WeakPolarHBondContact O-CB 3.46Å; I253-A257 PolarHBondContact O-N 3.45Å; K254-A257 PolarHBondContact O-N 3.14Å; A257-M260 PolarHBondContact O-N 3.49Å; A257-W261 WeakPolarHBondContact O-CB 3.44Å; A257-W261 PolarHBondContact O-N 3.04Å; A257-F277 HydrophobicContact CB-CE1 4.42Å; A257-F277 HydrophobicContact CB-CZ 4.4Å; A257-F277 WeakPolarHBondContact O-CZ 3.43Å; A257-V281 HydrophobicContact CB-CB 4.47Å; A257-V281 HydrophobicContact CB-CG1 3.78Å; A257-V281 HydrophobicContact CB-CG2 3.76Å
258	D	94.3	Very high	91.9	Very high	70 Å²	70	66.3 Å²	66.3	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-50.5	178.5	-70.1	-21.4	0	0	0	110.2	K254 M260 W261 D262	K254-D258 WeakPolarHBondContact O-CB 3.41Å; K254-D258 VanDerWaalsContact O-CG 3.32Å; K254-D258 PolarHBondContact O-N 3.5Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 3.23Å; D258-W261 PolarHBondContact O-N 3.3Å; D258-D262 WeakPolarHBondContact O-CB 3.16Å; D258-D262 VanDerWaalsContact O-CG 3.3Å; D258-D262 PolarHBondContact O-N 3.07Å
259	K	94.8	Very high	92.6	Very high	80 Å²	80	69.8 Å²	69.8	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-56	-47.6	174.9	179.8	-174.7	175.1	-171.5	0	111.7	E163 A255 W261 D262 E263	E163-K259 IonicContact OE2-NZ 3Å; A255-K259 WeakPolarHBondContact O-CB 3.31Å; A255-K259 PolarHBondContact O-N 3.25Å; A255-K259 VanDerWaalsContact O-N 3.1Å; K259-W261 PolarHBondContact O-N 3.27Å; K259-D262 PolarHBondContact O-N 3.43Å; K259-E263 WeakPolarHBondContact CE-OE1 3.38Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 WeakPolarHBondContact CG-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.3Å; K259-E263 WeakPolarHBondContact O-CG 3.37Å; K259-E263 PolarHBondContact O-N 3.13Å
260	M	95.4	Very high	93.3	Very high	13 Å²	13	77 Å²	77	6%	0.064	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-47.1	-178.8	-171	-171.1	-53.4	0	0	111.1	F150 F155 T156 I256 A257 D258 D262 E263 L264 F277	F150-M260 HydrophobicContact CD2-CE 4.31Å; F150-M260 HydrophobicContact CE2-CE 4.18Å; F150-M260 WeakPolarHBondContact O-CE 3.45Å; F155-M260 HydrophobicContact CB-CG 4Å; F155-M260 HydrophobicContact CB-SD 3.55Å; F155-M260 VanDerWaalsContact CB-SD 3.55Å; F155-M260 HydrophobicContact CD2-SD 4.48Å; F155-M260 WeakPolarHBondContact O-CG 3.48Å; T156-M260 HydrophobicContact CG2-CE 4.36Å; I256-M260 HydrophobicContact CG2-CE 3.78Å; I256-M260 WeakPolarHBondContact O-CB 3.36Å; I256-M260 PolarHBondContact O-N 3.29Å; A257-M260 PolarHBondContact O-N 3.49Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 3.23Å; M260-D262 VanDerWaalsContact C-N 3.32Å; M260-D262 PolarHBondContact O-N 3.2Å; M260-E263 PolarHBondContact O-N 2.95Å; M260-L264 HydrophobicContact CG-CD1 4.35Å; M260-L264 WeakPolarHBondContact O-CB 3.33Å; M260-L264 VanDerWaalsContact O-CD1 3.32Å; M260-L264 WeakPolarHBondContact O-CD1 3.42Å; M260-L264 WeakPolarHBondContact O-CG 3.48Å; M260-L264 PolarHBondContact O-N 3.45Å; M260-L264 VanDerWaalsContact O-N 3.07Å; M260-F277 HydrophobicContact CB-CE2 4.33Å; M260-F277 HydrophobicContact CB-CZ 4.22Å; M260-F277 HydrophobicContact CG-CE2 3.97Å; M260-F277 HydrophobicContact CG-CZ 4.34Å; M260-F277 HydrophobicContact SD-CE2 3.62Å; M260-F277 HydrophobicContact SD-CZ 4.13Å
261	W	95.4	Very high	93.9	Very high	37 Å²	37	78.7 Å²	78.7	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-41.6	176.7	-176.6	-97.5	0	0	0	111.7	A257 D258 K259 L264 R269 R274 F277	A257-W261 WeakPolarHBondContact O-CB 3.44Å; A257-W261 PolarHBondContact O-N 3.04Å; D258-W261 PolarHBondContact O-N 3.3Å; K259-W261 PolarHBondContact O-N 3.27Å; W261-L264 HydrophobicContact CE3-CD1 3.98Å; W261-L264 WeakPolarHBondContact O-CB 3.47Å; W261-L264 PolarHBondContact O-N 3.45Å; W261-R269 HydrophobicContact CH2-CB 4.15Å; W261-R269 HydrophobicContact CH2-CG 3.98Å; W261-R269 HydrophobicContact CZ2-CG 4.15Å; W261-R269 HydrophobicContact CZ3-CG 4.28Å; W261-R269 PolarHBondContact O-NE 3.33Å; W261-R269 PolarHBondContact O-NH2 3.41Å; W261-R274 VanDerWaalsContact CH2-CA 3.43Å; W261-R274 HydrophobicContact CH2-CB 3.66Å; W261-R274 HydrophobicContact CH2-CG 4.27Å; W261-R274 HydrophobicContact CZ2-CB 3.89Å; W261-R274 VanDerWaalsContact CZ2-CD 3.49Å; W261-R274 HydrophobicContact CZ2-CG 4.21Å; W261-R274 HydrophobicContact CZ3-CB 4.34Å; W261-R274 VanDerWaalsContact NE1-NH1 3.12Å; W261-F277 HydrophobicContact CB-CE1 3.87Å; W261-F277 HydrophobicContact CB-CE2 4.5Å; W261-F277 HydrophobicContact CB-CZ 3.86Å; W261-F277 HydrophobicContact CD2-CD1 4.36Å; W261-F277 HydrophobicContact CE3-CB 3.85Å; W261-F277 AromaticContact CE3-CD1 3.63Å; W261-F277 HydrophobicContact CE3-CD1 3.63Å; W261-F277 AromaticContact CE3-CD2 3.78Å; W261-F277 HydrophobicContact CE3-CD2 3.78Å; W261-F277 HydrophobicContact CE3-CE1 4.1Å; W261-F277 HydrophobicContact CE3-CE2 4.22Å; W261-F277 AromaticContact CE3-CG 3.46Å; W261-F277 HydrophobicContact CE3-CG 3.46Å; W261-F277 VanDerWaalsContact CE3-CG 3.46Å; W261-F277 HydrophobicContact CE3-CZ 4.37Å; W261-F277 HydrophobicContact CG-CE1 4.49Å; W261-F277 HydrophobicContact CZ3-CB 3.67Å; W261-F277 HydrophobicContact CZ3-CD1 4.31Å; W261-F277 HydrophobicContact CZ3-CD2 4.27Å; W261-F277 AromaticContact CZ3-CG 3.84Å; W261-F277 HydrophobicContact CZ3-CG 3.84Å
262	D	94.4	Very high	94.4	Very high	115 Å²	115	76.4 Å²	76.4	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-71.9	-30.1	-177.1	-72.4	-14	0	0	0	113.5	D258 K259 M260 R269	D258-D262 WeakPolarHBondContact O-CB 3.16Å; D258-D262 VanDerWaalsContact O-CG 3.3Å; D258-D262 PolarHBondContact O-N 3.07Å; K259-D262 PolarHBondContact O-N 3.43Å; M260-D262 VanDerWaalsContact C-N 3.32Å; M260-D262 PolarHBondContact O-N 3.2Å; D262-R269 VanDerWaalsContact CA-NH2 3.32Å; D262-R269 PolarHBondContact O-NH2 3.48Å
263	E	94.6	Very high	94.8	Very high	94 Å²	94	70.9 Å²	70.9	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-86.8	-15.4	176.4	-69.8	177.5	-173.1	0	0	113.6	S157 K259 M260	S157-E263 PolarHBondContact OG-OE2 2.79Å; K259-E263 WeakPolarHBondContact CE-OE1 3.38Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 WeakPolarHBondContact CG-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.3Å; K259-E263 WeakPolarHBondContact O-CG 3.37Å; K259-E263 PolarHBondContact O-N 3.13Å; M260-E263 PolarHBondContact O-N 2.95Å
264	L	95.3	Very high	95.1	Very high	8 Å²	8	76 Å²	76	4%	0.042	37%	0.374	C	S	.	.	S	Bend	trans	-59.5	127.8	-175.6	-109.7	151.2	0	0	0	112.1	F155 M260 W261 V268 R269 F277	F155-L264 HydrophobicContact CB-CD1 4.23Å; F155-L264 HydrophobicContact CD1-CD1 4.38Å; F155-L264 HydrophobicContact CD1-CD2 3.78Å; F155-L264 HydrophobicContact CE1-CD2 4.44Å; F155-L264 HydrophobicContact CG-CD1 4.29Å; F155-L264 HydrophobicContact CG-CD2 4.4Å; M260-L264 HydrophobicContact CG-CD1 4.35Å; M260-L264 WeakPolarHBondContact O-CB 3.33Å; M260-L264 VanDerWaalsContact O-CD1 3.32Å; M260-L264 WeakPolarHBondContact O-CD1 3.42Å; M260-L264 WeakPolarHBondContact O-CG 3.48Å; M260-L264 PolarHBondContact O-N 3.45Å; M260-L264 VanDerWaalsContact O-N 3.07Å; W261-L264 HydrophobicContact CE3-CD1 3.98Å; W261-L264 WeakPolarHBondContact O-CB 3.47Å; W261-L264 PolarHBondContact O-N 3.45Å; L264-V268 HydrophobicContact CD2-CB 3.66Å; L264-V268 HydrophobicContact CD2-CG1 3.29Å; L264-R269 HydrophobicContact CB-CG 3.86Å; L264-R269 PolarHBondContact O-NE 2.9Å; L264-R269 PolarHBondContact O-NH2 3Å; L264-F277 HydrophobicContact CD1-CD2 3.8Å; L264-F277 HydrophobicContact CD1-CE2 3.65Å
265	P	95.8	Very high	95.4	Very high	69 Å²	69	77.4 Å²	77.4	45%	0.448	38%	0.38	S	S	.	.			trans	-59.2	146.7	177.7	-24.5	33.7	0	0	0	112.7	I267 V268 R269	P265-I267 VanDerWaalsContact C-N 3.26Å; P265-I267 HydrophobicContact CB-CG2 4.18Å; P265-I267 PolarHBondContact O-N 3.26Å; P265-V268 HydrophobicContact CB-CG2 4.16Å; P265-V268 HydrophobicContact CG-CG2 4.26Å; P265-V268 PolarHBondContact O-N 3.24Å; P265-R269 PolarHBondContact O-N 3.37Å
266	E	96.3	Very high	95.6	Very high	167 Å²	167	78.4 Å²	78.4	78%	0.78	37%	0.372	S	S	*	.	H	α-helix	trans	-57.1	-39.4	-176.9	-172.9	178.1	-178.9	0	0	112.7	V268 R269 K270	E266-V268 PolarHBondContact O-N 3.29Å; E266-R269 PolarHBondContact O-N 2.9Å; E266-K270 WeakPolarHBondContact O-CB 3.29Å; E266-K270 PolarHBondContact O-N 2.84Å
267	I	97	Very high	95.7	Very high	115 Å²	115	76.8 Å²	76.8	59%	0.59	36%	0.364	S	S	*	.	H	α-helix	trans	-59.2	-46.3	176.6	-172.5	167.8	0	0	0	111.7	P265 K270 D271	P265-I267 VanDerWaalsContact C-N 3.26Å; P265-I267 HydrophobicContact CB-CG2 4.18Å; P265-I267 PolarHBondContact O-N 3.26Å; I267-K270 PolarHBondContact O-N 3.13Å; I267-D271 WeakPolarHBondContact O-CB 3.49Å; I267-D271 VanDerWaalsContact O-CG 3.27Å; I267-D271 PolarHBondContact O-N 3.49Å
268	V	96.8	Very high	95.7	Very high	11 Å²	11	79.8 Å²	79.8	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-42.2	179.7	-174.4	0	0	0	0	110.4	E154 F155 L264 P265 E266 K270 D271 Y272	E154-V268 HydrophobicContact CB-CG1 4.02Å; E154-V268 HydrophobicContact CB-CG2 4.45Å; F155-V268 HydrophobicContact CD1-CG1 3.83Å; F155-V268 HydrophobicContact CE1-CG1 3.81Å; L264-V268 HydrophobicContact CD2-CB 3.66Å; L264-V268 HydrophobicContact CD2-CG1 3.29Å; P265-V268 HydrophobicContact CB-CG2 4.16Å; P265-V268 HydrophobicContact CG-CG2 4.26Å; P265-V268 PolarHBondContact O-N 3.24Å; E266-V268 PolarHBondContact O-N 3.29Å; V268-K270 VanDerWaalsContact C-N 3.27Å; V268-K270 PolarHBondContact O-N 3.41Å; V268-D271 PolarHBondContact O-N 3.24Å; V268-Y272 HydrophobicContact CG1-CD2 3.63Å; V268-Y272 HydrophobicContact CG1-CE2 3.91Å; V268-Y272 WeakPolarHBondContact O-CD2 3.46Å; V268-Y272 PolarHBondContact O-N 2.87Å
269	R	95.4	Very high	95.7	Very high	82 Å²	82	80.7 Å²	80.7	31%	0.309	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-39.4	174.8	-69.4	-170.5	-174.6	148.1	7.8	112.2	W261 D262 L264 P265 E266 G273	W261-R269 HydrophobicContact CH2-CB 4.15Å; W261-R269 HydrophobicContact CH2-CG 3.98Å; W261-R269 HydrophobicContact CZ2-CG 4.15Å; W261-R269 HydrophobicContact CZ3-CG 4.28Å; W261-R269 PolarHBondContact O-NE 3.33Å; W261-R269 PolarHBondContact O-NH2 3.41Å; D262-R269 VanDerWaalsContact CA-NH2 3.32Å; D262-R269 PolarHBondContact O-NH2 3.48Å; L264-R269 HydrophobicContact CB-CG 3.86Å; L264-R269 PolarHBondContact O-NE 2.9Å; L264-R269 PolarHBondContact O-NH2 3Å; P265-R269 PolarHBondContact O-N 3.37Å; E266-R269 PolarHBondContact O-N 2.9Å; R269-G273 WeakPolarHBondContact O-CA 3.29Å; R269-G273 PolarHBondContact O-N 3.48Å
270	K	96.3	Very high	95.6	Very high	172 Å²	172	78.8 Å²	78.8	75%	0.748	37%	0.373	S	S	*	.	H	α-helix	trans	-70.9	-42.6	-179.9	-175.7	-179.1	175.6	-175.7	0	111.8	E266 I267 V268	E266-K270 WeakPolarHBondContact O-CB 3.29Å; E266-K270 PolarHBondContact O-N 2.84Å; I267-K270 PolarHBondContact O-N 3.13Å; V268-K270 VanDerWaalsContact C-N 3.27Å; V268-K270 PolarHBondContact O-N 3.41Å
271	D	97.4	Very high	95.4	Very high	114 Å²	114	78.8 Å²	78.8	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-73.8	-40.7	-174.9	-70.1	-12.2	0	0	0	112.2	I267 V268	I267-D271 WeakPolarHBondContact O-CB 3.49Å; I267-D271 VanDerWaalsContact O-CG 3.27Å; I267-D271 PolarHBondContact O-N 3.49Å; V268-D271 PolarHBondContact O-N 3.24Å
272	Y	96.6	Very high	95.2	Very high	85 Å²	85	80 Å²	80	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-90.8	-36.5	179.6	-71.2	-90.6	0	0	0	113.3	E154 F155 V268 Y276	E154-Y272 WeakPolarHBondContact OE2-CE2 3.07Å; F155-Y272 AromaticContact CE1-CD1 4Å; F155-Y272 HydrophobicContact CE1-CD1 4Å; F155-Y272 AromaticContact CE1-CD2 3.78Å; F155-Y272 HydrophobicContact CE1-CD2 3.78Å; F155-Y272 HydrophobicContact CE1-CE1 4.33Å; F155-Y272 HydrophobicContact CE1-CE2 4.15Å; F155-Y272 AromaticContact CE1-CG 3.69Å; F155-Y272 HydrophobicContact CE1-CG 3.69Å; F155-Y272 AromaticContact CZ-CD1 3.79Å; F155-Y272 HydrophobicContact CZ-CD1 3.79Å; F155-Y272 HydrophobicContact CZ-CD2 4.37Å; F155-Y272 HydrophobicContact CZ-CE1 4.3Å; F155-Y272 AromaticContact CZ-CG 3.8Å; F155-Y272 HydrophobicContact CZ-CG 3.8Å; V268-Y272 HydrophobicContact CG1-CD2 3.63Å; V268-Y272 HydrophobicContact CG1-CE2 3.91Å; V268-Y272 WeakPolarHBondContact O-CD2 3.46Å; V268-Y272 PolarHBondContact O-N 2.87Å; Y272-Y276 AromaticContact CD1-CD1 3.75Å; Y272-Y276 HydrophobicContact CD1-CD1 3.75Å; Y272-Y276 AromaticContact CD1-CE1 3.66Å; Y272-Y276 HydrophobicContact CD1-CE1 3.66Å; Y272-Y276 HydrophobicContact CD1-CG 4.46Å; Y272-Y276 HydrophobicContact CE1-CE1 4.17Å; Y272-Y276 HydrophobicContact CG-CD1 4.42Å; Y272-Y276 WeakPolarHBondContact O-CB 3.2Å
273	G	96.3	Very high	94.9	Very high	24 Å²	24	79.6 Å²	79.6	25%	0.247	38%	0.381	C	S	.	.	H	α-helix	trans	75.6	156.5	-177.3	0	0	0	0	0	114.3	R269 K275 Y276 F277	R269-G273 WeakPolarHBondContact O-CA 3.29Å; R269-G273 PolarHBondContact O-N 3.48Å; G273-K275 VanDerWaalsContact C-N 3.32Å; G273-K275 PolarHBondContact O-N 2.68Å; G273-Y276 PolarHBondContact O-N 3.21Å; G273-F277 PolarHBondContact O-N 3Å
274	R	95.4	Very high	94.4	Very high	108 Å²	108	75.7 Å²	75.7	41%	0.408	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-38.2	-178.3	-177.7	62.9	-173.2	-123.6	3.6	113.1	W261 Y276 F277 D278	W261-R274 VanDerWaalsContact CH2-CA 3.43Å; W261-R274 HydrophobicContact CH2-CB 3.66Å; W261-R274 HydrophobicContact CH2-CG 4.27Å; W261-R274 HydrophobicContact CZ2-CB 3.89Å; W261-R274 VanDerWaalsContact CZ2-CD 3.49Å; W261-R274 HydrophobicContact CZ2-CG 4.21Å; W261-R274 HydrophobicContact CZ3-CB 4.34Å; W261-R274 VanDerWaalsContact NE1-NH1 3.12Å; R274-Y276 PolarHBondContact O-N 2.9Å; R274-F277 WeakPolarHBondContact O-CB 3.34Å; R274-F277 PolarHBondContact O-N 3.41Å; R274-D278 WeakPolarHBondContact CG-OD2 3.4Å; R274-D278 IonicContact CZ-OD1 3.89Å; R274-D278 IonicContact NE-OD1 3.17Å; R274-D278 PolarHBondContact NE-OD1 2.95Å; R274-D278 IonicContact NE-OD2 3.61Å; R274-D278 PolarHBondContact NE-OD2 3.17Å; R274-D278 IonicContact NH2-OD1 2.67Å; R274-D278 PolarHBondContact NH2-OD1 3.47Å; R274-D278 PolarHBondContact O-N 3.23Å
275	K	96.7	Very high	93.9	Very high	158 Å²	158	79.7 Å²	79.7	69%	0.687	38%	0.381	S	S	*	.	H	α-helix	trans	-59.3	-47	-179.9	-178.6	-178.6	172.5	-174.3	0	112.1	G273 F277 D278 E279	G273-K275 VanDerWaalsContact C-N 3.32Å; G273-K275 PolarHBondContact O-N 2.68Å; K275-F277 VanDerWaalsContact C-N 3.34Å; K275-D278 PolarHBondContact O-N 3.42Å; K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 WeakPolarHBondContact O-CG 3.35Å; K275-E279 PolarHBondContact O-N 3.1Å
276	Y	95.7	Very high	93.3	Very high	81 Å²	81	81.2 Å²	81.2	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-44.7	178.5	-179.4	-91.8	0	0	0	111.1	E152 F155 Y272 G273 R274 D278 E279 Q280	E152-Y276 PolarHBondContact OE1-OH 2.99Å; F155-Y276 HydrophobicContact CE2-CD1 4.13Å; F155-Y276 HydrophobicContact CE2-CE1 4.02Å; F155-Y276 AromaticContact CZ-CD1 3.78Å; F155-Y276 HydrophobicContact CZ-CD1 3.78Å; F155-Y276 AromaticContact CZ-CE1 3.76Å; F155-Y276 HydrophobicContact CZ-CE1 3.76Å; Y272-Y276 AromaticContact CD1-CD1 3.75Å; Y272-Y276 HydrophobicContact CD1-CD1 3.75Å; Y272-Y276 AromaticContact CD1-CE1 3.66Å; Y272-Y276 HydrophobicContact CD1-CE1 3.66Å; Y272-Y276 HydrophobicContact CD1-CG 4.46Å; Y272-Y276 HydrophobicContact CE1-CE1 4.17Å; Y272-Y276 HydrophobicContact CG-CD1 4.42Å; Y272-Y276 WeakPolarHBondContact O-CB 3.2Å; G273-Y276 PolarHBondContact O-N 3.21Å; R274-Y276 PolarHBondContact O-N 2.9Å; Y276-D278 PolarHBondContact O-N 3.14Å; Y276-E279 WeakPolarHBondContact O-CB 3.43Å; Y276-E279 PolarHBondContact O-N 3.1Å; Y276-Q280 HydrophobicContact CD1-CG 4.13Å; Y276-Q280 HydrophobicContact CE1-CG 3.76Å; Y276-Q280 WeakPolarHBondContact O-CG 3.34Å; Y276-Q280 PolarHBondContact O-N 2.67Å; Y276-Q280 VanDerWaalsContact O-N 3.08Å; Y276-Q280 PolarHBondContact OH-NE2 2.86Å
277	F	95.6	Very high	92.5	Very high	4 Å²	4	78.5 Å²	78.5	2%	0.018	37%	0.373	C	S	.	.	H	α-helix	trans	-56.7	-51.5	176.6	179	-90.7	0	0	0	112	F155 A257 M260 W261 L264 G273 R274 K275 E279 Q280 V281	F155-F277 AromaticContact CD2-CD2 3.83Å; F155-F277 HydrophobicContact CD2-CD2 3.83Å; F155-F277 HydrophobicContact CD2-CE2 4.22Å; F155-F277 HydrophobicContact CE2-CD2 4.01Å; F155-F277 HydrophobicContact CG-CD2 4.42Å; A257-F277 HydrophobicContact CB-CE1 4.42Å; A257-F277 HydrophobicContact CB-CZ 4.4Å; A257-F277 WeakPolarHBondContact O-CZ 3.43Å; M260-F277 HydrophobicContact CB-CE2 4.33Å; M260-F277 HydrophobicContact CB-CZ 4.22Å; M260-F277 HydrophobicContact CG-CE2 3.97Å; M260-F277 HydrophobicContact CG-CZ 4.34Å; M260-F277 HydrophobicContact SD-CE2 3.62Å; M260-F277 HydrophobicContact SD-CZ 4.13Å; W261-F277 HydrophobicContact CB-CE1 3.87Å; W261-F277 HydrophobicContact CB-CE2 4.5Å; W261-F277 HydrophobicContact CB-CZ 3.86Å; W261-F277 HydrophobicContact CD2-CD1 4.36Å; W261-F277 HydrophobicContact CE3-CB 3.85Å; W261-F277 AromaticContact CE3-CD1 3.63Å; W261-F277 HydrophobicContact CE3-CD1 3.63Å; W261-F277 AromaticContact CE3-CD2 3.78Å; W261-F277 HydrophobicContact CE3-CD2 3.78Å; W261-F277 HydrophobicContact CE3-CE1 4.1Å; W261-F277 HydrophobicContact CE3-CE2 4.22Å; W261-F277 AromaticContact CE3-CG 3.46Å; W261-F277 HydrophobicContact CE3-CG 3.46Å; W261-F277 VanDerWaalsContact CE3-CG 3.46Å; W261-F277 HydrophobicContact CE3-CZ 4.37Å; W261-F277 HydrophobicContact CG-CE1 4.49Å; W261-F277 HydrophobicContact CZ3-CB 3.67Å; W261-F277 HydrophobicContact CZ3-CD1 4.31Å; W261-F277 HydrophobicContact CZ3-CD2 4.27Å; W261-F277 AromaticContact CZ3-CG 3.84Å; W261-F277 HydrophobicContact CZ3-CG 3.84Å; L264-F277 HydrophobicContact CD1-CD2 3.8Å; L264-F277 HydrophobicContact CD1-CE2 3.65Å; G273-F277 PolarHBondContact O-N 3Å; R274-F277 WeakPolarHBondContact O-CB 3.34Å; R274-F277 PolarHBondContact O-N 3.41Å; K275-F277 VanDerWaalsContact C-N 3.34Å; F277-E279 VanDerWaalsContact C-N 3.28Å; F277-E279 PolarHBondContact O-N 2.8Å; F277-Q280 PolarHBondContact O-N 3.29Å; F277-V281 HydrophobicContact CD1-CG2 4.02Å; F277-V281 HydrophobicContact CE1-CG2 3.59Å; F277-V281 HydrophobicContact CZ-CG2 3.88Å; F277-V281 WeakPolarHBondContact O-CG2 3.28Å; F277-V281 PolarHBondContact O-N 3.21Å
278	D	94.9	Very high	91.5	Very high	68 Å²	68	73.5 Å²	73.5	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-35.8	-179.8	-67.2	-24.8	0	0	0	111.6	R274 K275 Y276 V281 S282	R274-D278 WeakPolarHBondContact CG-OD2 3.4Å; R274-D278 IonicContact CZ-OD1 3.89Å; R274-D278 IonicContact NE-OD1 3.17Å; R274-D278 PolarHBondContact NE-OD1 2.95Å; R274-D278 IonicContact NE-OD2 3.61Å; R274-D278 PolarHBondContact NE-OD2 3.17Å; R274-D278 IonicContact NH2-OD1 2.67Å; R274-D278 PolarHBondContact NH2-OD1 3.47Å; R274-D278 PolarHBondContact O-N 3.23Å; K275-D278 PolarHBondContact O-N 3.42Å; Y276-D278 PolarHBondContact O-N 3.14Å; D278-V281 PolarHBondContact O-N 3.3Å; D278-S282 WeakPolarHBondContact O-CB 3.29Å; D278-S282 PolarHBondContact O-N 2.75Å
279	E	94.1	Very high	90.5	Very high	90 Å²	90	80 Å²	80	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-39.2	173.4	-74.9	174	-170.4	0	0	112.4	K275 Y276 F277 K283	K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 WeakPolarHBondContact O-CG 3.35Å; K275-E279 PolarHBondContact O-N 3.1Å; Y276-E279 WeakPolarHBondContact O-CB 3.43Å; Y276-E279 PolarHBondContact O-N 3.1Å; F277-E279 VanDerWaalsContact C-N 3.28Å; F277-E279 PolarHBondContact O-N 2.8Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.85Å; E279-K283 VanDerWaalsContact O-N 3.09Å
280	Q	91.9	Very high	89.9	Confident	39 Å²	39	77.4 Å²	77.4	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-69.6	-39.7	176	-60.6	-54.9	-20.5	0	0	112.1	Y276 F277 K283 M284	Y276-Q280 HydrophobicContact CD1-CG 4.13Å; Y276-Q280 HydrophobicContact CE1-CG 3.76Å; Y276-Q280 WeakPolarHBondContact O-CG 3.34Å; Y276-Q280 PolarHBondContact O-N 2.67Å; Y276-Q280 VanDerWaalsContact O-N 3.08Å; Y276-Q280 PolarHBondContact OH-NE2 2.86Å; F277-Q280 PolarHBondContact O-N 3.29Å; Q280-K283 PolarHBondContact O-N 3.46Å; Q280-M284 PolarHBondContact O-N 3Å; Q280-M284 VanDerWaalsContact O-N 3.12Å
281	V	91.8	Very high	89.4	Confident	14 Å²	14	71 Å²	71	9%	0.085	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-45.6	174.6	175.8	0	0	0	0	110.3	F150 I253 A257 F277 D278 K283 M284 E285	F150-V281 HydrophobicContact CE2-CG2 4.33Å; I253-V281 HydrophobicContact CG2-CG1 4.33Å; A257-V281 HydrophobicContact CB-CB 4.47Å; A257-V281 HydrophobicContact CB-CG1 3.78Å; A257-V281 HydrophobicContact CB-CG2 3.76Å; F277-V281 HydrophobicContact CD1-CG2 4.02Å; F277-V281 HydrophobicContact CE1-CG2 3.59Å; F277-V281 HydrophobicContact CZ-CG2 3.88Å; F277-V281 WeakPolarHBondContact O-CG2 3.28Å; F277-V281 PolarHBondContact O-N 3.21Å; D278-V281 PolarHBondContact O-N 3.3Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 2.96Å; V281-M284 WeakPolarHBondContact O-CA 3.19Å; V281-M284 VanDerWaalsContact O-CB 3.3Å; V281-M284 WeakPolarHBondContact O-CB 3.41Å; V281-M284 PolarHBondContact O-N 2.87Å; V281-E285 PolarHBondContact O-N 3.3Å
282	S	91	Very high	89	Confident	62 Å²	62	67.9 Å²	67.9	43%	0.434	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-40.5	178.7	-174.2	0	0	0	0	112.4	D278 M284 E285 T286	D278-S282 WeakPolarHBondContact O-CB 3.29Å; D278-S282 PolarHBondContact O-N 2.75Å; S282-M284 VanDerWaalsContact C-N 3.27Å; S282-M284 PolarHBondContact O-N 3.19Å; S282-E285 WeakPolarHBondContact O-CB 3Å; S282-E285 PolarHBondContact O-N 2.9Å; S282-T286 PolarHBondContact O-N 3.49Å
283	K	87.2	Confident	88.7	Confident	107 Å²	107	69 Å²	69	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-57.3	-42.9	171.4	-72.3	171.3	-166	164.7	0	111.1	E279 Q280 V281 E285 T286 Y287	E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.85Å; E279-K283 VanDerWaalsContact O-N 3.09Å; Q280-K283 PolarHBondContact O-N 3.46Å; V281-K283 VanDerWaalsContact C-N 3.34Å; V281-K283 PolarHBondContact O-N 2.96Å; K283-E285 PolarHBondContact O-N 3.05Å; K283-T286 PolarHBondContact O-N 3.27Å; K283-T286 PolarHBondContact O-OG1 3.09Å; K283-Y287 WeakPolarHBondContact O-CD2 3.46Å
284	M	85.4	Confident	88.6	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.059	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-39	178	-177.8	60.1	-149.2	0	0	112.6	F150 R205 Y248 I253 Q280 V281 S282 T286 Y287	F150-M284 HydrophobicContact CB-CG 4.12Å; F150-M284 HydrophobicContact CB-SD 3.93Å; F150-M284 HydrophobicContact CD1-CG 3.8Å; F150-M284 HydrophobicContact CD1-SD 4.44Å; F150-M284 HydrophobicContact CD2-CB 3.97Å; F150-M284 HydrophobicContact CD2-CG 3.67Å; F150-M284 HydrophobicContact CE1-CG 4.1Å; F150-M284 HydrophobicContact CE2-CB 4.11Å; F150-M284 HydrophobicContact CE2-CG 3.98Å; F150-M284 HydrophobicContact CG-CB 4.38Å; F150-M284 HydrophobicContact CG-CG 3.57Å; F150-M284 HydrophobicContact CG-SD 4.07Å; F150-M284 HydrophobicContact CZ-CG 4.19Å; R205-M284 VanDerWaalsContact NH2-CE 3.27Å; R205-M284 PolarHBondContact NH2-SD 3.18Å; Y248-M284 HydrophobicContact CD1-CE 3.48Å; Y248-M284 VanDerWaalsContact CD1-CE 3.48Å; Y248-M284 HydrophobicContact CD2-CE 3.74Å; Y248-M284 HydrophobicContact CE1-CE 3.66Å; Y248-M284 HydrophobicContact CE2-CE 3.93Å; Y248-M284 HydrophobicContact CG-CE 3.53Å; I253-M284 HydrophobicContact CD1-CE 4.06Å; I253-M284 HydrophobicContact CD1-CG 4.29Å; I253-M284 HydrophobicContact CG1-CG 4.45Å; Q280-M284 PolarHBondContact O-N 3Å; Q280-M284 VanDerWaalsContact O-N 3.12Å; V281-M284 WeakPolarHBondContact O-CA 3.19Å; V281-M284 VanDerWaalsContact O-CB 3.3Å; V281-M284 WeakPolarHBondContact O-CB 3.41Å; V281-M284 PolarHBondContact O-N 2.87Å; S282-M284 VanDerWaalsContact C-N 3.27Å; S282-M284 PolarHBondContact O-N 3.19Å; M284-T286 VanDerWaalsContact C-N 3.26Å; M284-T286 PolarHBondContact O-N 2.98Å; M284-Y287 WeakPolarHBondContact O-CB 3.22Å; M284-Y287 PolarHBondContact O-N 3.5Å
285	E	84.8	Confident	88.6	Confident	92 Å²	92	68 Å²	68	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-35.9	176	-67.6	174.2	154.8	0	0	112.4	I253 V281 S282 K283 Y287 C288	I253-E285 HydrophobicContact CG2-CG 3.84Å; V281-E285 PolarHBondContact O-N 3.3Å; S282-E285 WeakPolarHBondContact O-CB 3Å; S282-E285 PolarHBondContact O-N 2.9Å; K283-E285 PolarHBondContact O-N 3.05Å; E285-Y287 PolarHBondContact O-N 3.31Å; E285-Y287 VanDerWaalsContact O-N 3.14Å; E285-C288 WeakPolarHBondContact O-CB 3.14Å; E285-C288 PolarHBondContact O-N 2.72Å; E285-C288 VanDerWaalsContact O-N 3.1Å; E285-C288 PolarHBondContact O-SG 3.11Å
286	T	83.4	Confident	88.5	Confident	101 Å²	101	62.8 Å²	62.8	62%	0.62	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-23	175.7	71.5	0	0	0	0	113.2	S282 K283 M284	S282-T286 PolarHBondContact O-N 3.49Å; K283-T286 PolarHBondContact O-N 3.27Å; K283-T286 PolarHBondContact O-OG1 3.09Å; M284-T286 VanDerWaalsContact C-N 3.26Å; M284-T286 PolarHBondContact O-N 2.98Å
287	Y	78.4	Confident	88.6	Confident	110 Å²	110	61.3 Å²	61.3	43%	0.431	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.5	177.7	-74.1	-83.8	0	0	0	114	I242 K283 M284 E285 N289 S290	I242-Y287 WeakPolarHBondContact CG2-O 3.33Å; K283-Y287 WeakPolarHBondContact O-CD2 3.46Å; M284-Y287 WeakPolarHBondContact O-CB 3.22Å; M284-Y287 PolarHBondContact O-N 3.5Å; E285-Y287 PolarHBondContact O-N 3.31Å; E285-Y287 VanDerWaalsContact O-N 3.14Å; Y287-N289 PolarHBondContact O-N 3.16Å; Y287-N289 VanDerWaalsContact O-N 3.16Å; Y287-S290 WeakPolarHBondContact O-CB 3.18Å; Y287-S290 PolarHBondContact O-N 2.99Å; Y287-S290 PolarHBondContact O-OG 3.34Å
288	C	75.6	Confident	88.7	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.061	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.8	-178.2	-69	0	0	0	0	113.4	I253 E285	I253-C288 WeakPolarHBondContact CD1-SG 2.81Å; E285-C288 WeakPolarHBondContact O-CB 3.14Å; E285-C288 PolarHBondContact O-N 2.72Å; E285-C288 VanDerWaalsContact O-N 3.1Å; E285-C288 PolarHBondContact O-SG 3.11Å
289	N	77.2	Confident	88.9	Confident	147 Å²	147	58.4 Å²	58.4	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	13.8	-176.5	-59.9	-42.1	0	0	0	111.9	Y287	Y287-N289 PolarHBondContact O-N 3.16Å; Y287-N289 VanDerWaalsContact O-N 3.16Å
290	S	82.8	Confident	89	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.203	34%	0.335	C	S	.	.			trans	-90.6	154.9	-179.8	78	0	0	0	0	111.9	N240 A243 Y287	N240-S290 PolarHBondContact ND2-OG 3.11Å; N240-S290 PolarHBondContact OD1-O 3.4Å; A243-S290 WeakPolarHBondContact CB-O 3.14Å; A243-S290 PolarHBondContact N-O 3.16Å; A243-S290 VanDerWaalsContact N-O 3.11Å; Y287-S290 WeakPolarHBondContact O-CB 3.18Å; Y287-S290 PolarHBondContact O-N 2.99Å; Y287-S290 PolarHBondContact O-OG 3.34Å
291	G	86.1	Confident	89.3	Confident	37 Å²	37	58.8 Å²	58.8	38%	0.381	33%	0.333	S	S	.	.	S	Bend	trans	98.1	-178.6	176.1	0	0	0	0	0	113.7	N240	N240-G291 PolarHBondContact ND2-N 2.99Å; N240-G291 CarbonylContact O-C 3.54Å; N240-G291 WeakPolarHBondContact O-CA 3.22Å
292	S	89.2	Confident	89.7	Confident	48 Å²	48	58.2 Å²	58.2	34%	0.336	33%	0.329	S	S	.	.			trans	-74.4	137.9	179.1	-172.7	0	0	0	0	110.8	N240 A244 D294	N240-S292 PolarHBondContact O-N 3.46Å; A244-S292 WeakPolarHBondContact CB-O 3.4Å; S292-D294 PolarHBondContact OG-N 3.37Å; S292-D294 PolarHBondContact OG-O 3.17Å
293	T	90	Very high	90	Very high	110 Å²	110	55.5 Å²	55.5	68%	0.675	31%	0.31	S	S	*	.	S	Bend	trans	-88.9	-25.4	167.1	51.9	0	0	0	0	112.1	A243 T295	A243-T293 HydrophobicContact CB-CG2 4.02Å; T293-T295 PolarHBondContact O-N 3.19Å
294	D	93.4	Very high	90.5	Very high	80 Å²	80	53.2 Å²	53.2	43%	0.428	30%	0.301	S	S	.	.			trans	-76.6	114.8	174.7	176.6	23.3	0	0	0	109.8	F241 S292 S296	F241-D294 VanDerWaalsContact CE1-O 3.23Å; F241-D294 WeakPolarHBondContact CE1-O 3.42Å; S292-D294 PolarHBondContact OG-N 3.37Å; S292-D294 PolarHBondContact OG-O 3.17Å; D294-S296 WeakPolarHBondContact OD1-CB 3.5Å; D294-S296 PolarHBondContact OD1-N 3.02Å; D294-S296 PolarHBondContact OD1-OG 3.02Å
295	T	95.1	Very high	91.1	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.178	30%	0.299	C	S	.	.			trans	-91	-8.9	179	60.9	0	0	0	0	113.1	F67 A244 T293 P297 V298 I299	F67-T295 HydrophobicContact CD1-CG2 3.9Å; F67-T295 HydrophobicContact CE1-CG2 3.68Å; A244-T295 HydrophobicContact CB-CG2 3.53Å; T293-T295 PolarHBondContact O-N 3.19Å; T295-P297 VanDerWaalsContact C-N 3.31Å; T295-P297 VanDerWaalsContact O-N 3.17Å; T295-V298 WeakPolarHBondContact O-CB 3.26Å; T295-V298 PolarHBondContact O-N 3.11Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.08Å
296	S	96	Very high	91.7	Very high	50 Å²	50	48.3 Å²	48.3	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-50.8	-42.1	-174.4	-49.3	0	0	0	0	113.4	D294 V298 I299 E300	D294-S296 WeakPolarHBondContact OD1-CB 3.5Å; D294-S296 PolarHBondContact OD1-N 3.02Å; D294-S296 PolarHBondContact OD1-OG 3.02Å; S296-V298 VanDerWaalsContact C-N 3.26Å; S296-V298 PolarHBondContact O-N 2.94Å; S296-I299 PolarHBondContact O-N 3.14Å; S296-I299 VanDerWaalsContact O-N 3.12Å; S296-E300 WeakPolarHBondContact O-CB 3.29Å; S296-E300 VanDerWaalsContact O-CG 3.32Å; S296-E300 WeakPolarHBondContact O-CG 3.38Å; S296-E300 PolarHBondContact O-N 3.35Å
297	P	97.2	Very high	92.2	Very high	50 Å²	50	43.8 Å²	43.8	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-35.7	177.9	-26.8	36.2	0	0	0	114	T295 S301 P317	T295-P297 VanDerWaalsContact C-N 3.31Å; T295-P297 VanDerWaalsContact O-N 3.17Å; P297-S301 VanDerWaalsContact O-CB 3.31Å; P297-S301 WeakPolarHBondContact O-CB 3.4Å; P297-S301 PolarHBondContact O-N 3.38Å; P297-S301 VanDerWaalsContact O-N 3.16Å; P297-S301 PolarHBondContact O-OG 3.29Å; P297-P317 HydrophobicContact CB-CB 3.9Å; P297-P317 WeakPolarHBondContact O-CB 3.42Å
298	V	97.6	Very high	93	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-72.6	-47.1	176.9	-178.6	0	0	0	0	109.9	F67 V236 P238 F241 T295 S296 E300 S301 V302 P317	F67-V298 HydrophobicContact CD1-CB 4.14Å; F67-V298 HydrophobicContact CD1-CG1 4.05Å; F67-V298 HydrophobicContact CD1-CG2 4.43Å; F67-V298 HydrophobicContact CD2-CG1 4.18Å; F67-V298 HydrophobicContact CE1-CB 3.95Å; F67-V298 HydrophobicContact CE1-CG1 4.15Å; F67-V298 HydrophobicContact CE1-CG2 3.75Å; F67-V298 HydrophobicContact CE2-CG1 4.28Å; F67-V298 HydrophobicContact CE2-CG2 4.41Å; F67-V298 HydrophobicContact CG-CG1 4.07Å; F67-V298 HydrophobicContact CZ-CB 4.29Å; F67-V298 HydrophobicContact CZ-CG1 4.26Å; F67-V298 HydrophobicContact CZ-CG2 3.74Å; V236-V298 HydrophobicContact CG1-CG1 4.34Å; P238-V298 HydrophobicContact CB-CG2 4.13Å; P238-V298 HydrophobicContact CG-CG1 4.2Å; P238-V298 HydrophobicContact CG-CG2 4.15Å; F241-V298 HydrophobicContact CD2-CG2 4.36Å; F241-V298 HydrophobicContact CE1-CG2 3.94Å; F241-V298 HydrophobicContact CE2-CG2 3.79Å; F241-V298 HydrophobicContact CZ-CG2 3.56Å; T295-V298 WeakPolarHBondContact O-CB 3.26Å; T295-V298 PolarHBondContact O-N 3.11Å; S296-V298 VanDerWaalsContact C-N 3.26Å; S296-V298 PolarHBondContact O-N 2.94Å; V298-E300 PolarHBondContact O-N 2.92Å; V298-S301 WeakPolarHBondContact O-CB 3.48Å; V298-S301 PolarHBondContact O-N 3.02Å; V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 2.92Å; V298-P317 HydrophobicContact CB-CB 4.48Å; V298-P317 HydrophobicContact CB-CG 4.36Å; V298-P317 HydrophobicContact CG2-CB 3.86Å; V298-P317 HydrophobicContact CG2-CG 3.8Å
299	I	98.1	Very high	93.7	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-46	-178.8	-56.4	-49.9	0	0	0	111.2	F67 A70 L71 H74 T295 S296 V302 A303	F67-I299 HydrophobicContact CB-CD1 4.49Å; F67-I299 WeakPolarHBondContact O-CD1 3.11Å; A70-I299 HydrophobicContact CB-CD1 3.97Å; A70-I299 HydrophobicContact CB-CG1 4.28Å; L71-I299 HydrophobicContact CB-CD1 3.84Å; L71-I299 HydrophobicContact CD1-CD1 4.49Å; L71-I299 HydrophobicContact CD1-CG2 3.98Å; H74-I299 HydrophobicContact CB-CG2 3.48Å; H74-I299 VanDerWaalsContact CB-CG2 3.48Å; H74-I299 VanDerWaalsContact CG-CG2 3.41Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.08Å; S296-I299 PolarHBondContact O-N 3.14Å; S296-I299 VanDerWaalsContact O-N 3.12Å; I299-V302 PolarHBondContact O-N 3.16Å; I299-A303 WeakPolarHBondContact O-CB 3.45Å; I299-A303 PolarHBondContact O-N 3.1Å
300	E	97.6	Very high	94.5	Very high	118 Å²	118	38.1 Å²	38.1	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-65.8	-37.5	177.5	-70.8	176.5	178.2	0	0	112.1	S296 V298 A303 H304	S296-E300 WeakPolarHBondContact O-CB 3.29Å; S296-E300 VanDerWaalsContact O-CG 3.32Å; S296-E300 WeakPolarHBondContact O-CG 3.38Å; S296-E300 PolarHBondContact O-N 3.35Å; V298-E300 PolarHBondContact O-N 2.92Å; E300-A303 PolarHBondContact O-N 3.49Å; E300-H304 WeakPolarHBondContact O-CB 2.99Å; E300-H304 PolarHBondContact O-N 2.98Å
301	S	98.4	Very high	95.2	Very high	20 Å²	20	37.8 Å²	37.8	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.9	-66.7	0	0	0	0	111.6	P297 V298 H304 A305	P297-S301 VanDerWaalsContact O-CB 3.31Å; P297-S301 WeakPolarHBondContact O-CB 3.4Å; P297-S301 PolarHBondContact O-N 3.38Å; P297-S301 VanDerWaalsContact O-N 3.16Å; P297-S301 PolarHBondContact O-OG 3.29Å; V298-S301 WeakPolarHBondContact O-CB 3.48Å; V298-S301 PolarHBondContact O-N 3.02Å; S301-H304 PolarHBondContact O-N 3.12Å; S301-A305 WeakPolarHBondContact O-CB 3.47Å; S301-A305 PolarHBondContact O-N 2.98Å
302	V	98.5	Very high	95.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-43.7	176.5	179.2	0	0	0	0	110.7	L71 V142 V191 I193 V236 V298 I299 H304 A305 L306	L71-V302 HydrophobicContact CD1-CB 3.9Å; L71-V302 HydrophobicContact CD1-CG1 3.82Å; L71-V302 HydrophobicContact CD2-CB 4.2Å; L71-V302 HydrophobicContact CD2-CG1 3.55Å; L71-V302 HydrophobicContact CD2-CG2 4.49Å; L71-V302 HydrophobicContact CG-CG1 4.33Å; V142-V302 HydrophobicContact CG1-CG1 4.02Å; V142-V302 HydrophobicContact CG2-CG1 3.9Å; V191-V302 HydrophobicContact CB-CG1 4.48Å; V191-V302 HydrophobicContact CG1-CG1 4.14Å; V191-V302 HydrophobicContact CG1-CG2 4.24Å; I193-V302 HydrophobicContact CD1-CG2 3.66Å; V236-V302 HydrophobicContact CG2-CG2 3.94Å; V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 2.92Å; I299-V302 PolarHBondContact O-N 3.16Å; V302-H304 VanDerWaalsContact C-N 3.35Å; V302-H304 PolarHBondContact O-N 3.38Å; V302-A305 WeakPolarHBondContact O-CB 3.28Å; V302-A305 PolarHBondContact O-N 2.66Å; V302-L306 HydrophobicContact CG1-CD1 4.03Å; V302-L306 HydrophobicContact CG1-CG 4.44Å; V302-L306 WeakPolarHBondContact O-CG 3.36Å; V302-L306 PolarHBondContact O-N 3.41Å
303	A	97.4	Very high	96.1	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-46.7	176.3	0	0	0	0	0	111.2	L75 K78 I299 E300 A305 L306 T307	L75-A303 HydrophobicContact CD2-CB 4.12Å; K78-A303 HydrophobicContact CD-CB 4.35Å; I299-A303 WeakPolarHBondContact O-CB 3.45Å; I299-A303 PolarHBondContact O-N 3.1Å; E300-A303 PolarHBondContact O-N 3.49Å; A303-A305 VanDerWaalsContact C-N 3.35Å; A303-A305 PolarHBondContact O-N 3.28Å; A303-L306 PolarHBondContact O-N 3.22Å; A303-L306 VanDerWaalsContact O-N 3.08Å; A303-T307 WeakPolarHBondContact O-CG2 3.48Å; A303-T307 PolarHBondContact O-N 3.23Å; A303-T307 PolarHBondContact O-OG1 3.2Å
304	H	97.5	Very high	96.5	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-40.5	175.6	-179.3	-83	0	0	0	112	E300 S301 V302 L306 T307 S308 Y312 Y315	E300-H304 WeakPolarHBondContact O-CB 2.99Å; E300-H304 PolarHBondContact O-N 2.98Å; S301-H304 PolarHBondContact O-N 3.12Å; V302-H304 VanDerWaalsContact C-N 3.35Å; V302-H304 PolarHBondContact O-N 3.38Å; H304-L306 PolarHBondContact O-N 3.01Å; H304-T307 PolarHBondContact O-N 3.1Å; H304-S308 VanDerWaalsContact CE1-CB 3.5Å; H304-S308 WeakPolarHBondContact CE1-CB 3.38Å; H304-S308 PolarHBondContact CE1-OG 2.97Å; H304-S308 WeakPolarHBondContact O-CB 3.44Å; H304-S308 PolarHBondContact O-N 3.22Å; H304-Y312 AromaticContact CE1-CE2 3.93Å; H304-Y315 HydrophobicContact CB-CE1 4.18Å; H304-Y315 AromaticContact ND1-CE1 3.35Å; H304-Y315 WeakPolarHBondContact ND1-CE1 2.98Å; H304-Y315 AromaticContact ND1-CZ 3.48Å; H304-Y315 PolarHBondContact ND1-OH 3.35Å
305	A	98.1	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-32.5	174.6	0	0	0	0	0	112.6	V191 S301 V302 A303 Y315	V191-A305 HydrophobicContact CG1-CB 4.34Å; V191-A305 HydrophobicContact CG2-CB 3.74Å; S301-A305 WeakPolarHBondContact O-CB 3.47Å; S301-A305 PolarHBondContact O-N 2.98Å; V302-A305 WeakPolarHBondContact O-CB 3.28Å; V302-A305 PolarHBondContact O-N 2.66Å; A303-A305 VanDerWaalsContact C-N 3.35Å; A303-A305 PolarHBondContact O-N 3.28Å; A305-Y315 WeakPolarHBondContact CA-OH 3.25Å; A305-Y315 HydrophobicContact CB-CD2 4.5Å; A305-Y315 HydrophobicContact CB-CE2 3.7Å
306	L	97.1	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-83.6	-29.8	179	-67.7	172.1	0	0	0	113.8	V58 L75 F80 W139 V142 R189 V191 V302 A303 H304	V58-L306 HydrophobicContact CG1-CD1 4.43Å; L75-L306 HydrophobicContact CD1-CD1 3.45Å; L75-L306 VanDerWaalsContact CD1-CD1 3.45Å; L75-L306 HydrophobicContact CD2-CD1 4.06Å; L75-L306 HydrophobicContact CG-CD1 4.44Å; F80-L306 HydrophobicContact CZ-CB 4.42Å; W139-L306 WeakPolarHBondContact CZ2-O 3.28Å; W139-L306 PolarHBondContact NE1-O 3.33Å; V142-L306 HydrophobicContact CG2-CD1 4.01Å; V142-L306 HydrophobicContact CG2-CD2 4.37Å; R189-L306 HydrophobicContact CB-CD2 3.75Å; R189-L306 HydrophobicContact CG-CD2 4.37Å; V191-L306 HydrophobicContact CG2-CD2 3.92Å; V191-L306 HydrophobicContact CG2-CG 4.18Å; V302-L306 HydrophobicContact CG1-CD1 4.03Å; V302-L306 HydrophobicContact CG1-CG 4.44Å; V302-L306 WeakPolarHBondContact O-CG 3.36Å; V302-L306 PolarHBondContact O-N 3.41Å; A303-L306 PolarHBondContact O-N 3.22Å; A303-L306 VanDerWaalsContact O-N 3.08Å; H304-L306 PolarHBondContact O-N 3.01Å
307	T	95.4	Very high	96.8	Very high	7 Å²	7	38 Å²	38	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-109.9	-15.2	-171.3	63.1	0	0	0	0	114.6	E49 V50 I53 F80 A303 H304	E49-T307 CarbonylContact C-O 3.57Å; E49-T307 WeakPolarHBondContact CA-O 3.45Å; V50-T307 WeakPolarHBondContact CG2-O 3.42Å; V50-T307 PolarHBondContact N-O 3.14Å; I53-T307 HydrophobicContact CD1-CG2 3.69Å; I53-T307 HydrophobicContact CG1-CG2 4.17Å; F80-T307 HydrophobicContact CE2-CG2 3.89Å; F80-T307 HydrophobicContact CZ-CG2 3.76Å; A303-T307 WeakPolarHBondContact O-CG2 3.48Å; A303-T307 PolarHBondContact O-N 3.23Å; A303-T307 PolarHBondContact O-OG1 3.2Å; H304-T307 PolarHBondContact O-N 3.1Å
308	S	94.6	Very high	96.7	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-75	141.9	179.6	-172.2	0	0	0	0	111.5	V50 H304 T310	V50-S308 WeakPolarHBondContact CG2-O 3.3Å; H304-S308 VanDerWaalsContact CE1-CB 3.5Å; H304-S308 WeakPolarHBondContact CE1-CB 3.38Å; H304-S308 PolarHBondContact CE1-OG 2.97Å; H304-S308 WeakPolarHBondContact O-CB 3.44Å; H304-S308 PolarHBondContact O-N 3.22Å; S308-T310 VanDerWaalsContact C-N 3.26Å; S308-T310 PolarHBondContact OG-N 3.36Å; S308-T310 PolarHBondContact OG-O 2.95Å
309	T	91.4	Very high	96.4	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	21%	0.208	S	C	.	.	S	Bend	trans	-68.7	-28.1	168	46.5	0	0	0	0	111.9	S48 V50 M232	S48-T309 WeakPolarHBondContact O-CB 3.41Å; S48-T309 WeakPolarHBondContact O-CG2 3.2Å; S48-T309 PolarHBondContact O-N 3.06Å; S48-T309 PolarHBondContact O-OG1 3.23Å; S48-T309 PolarHBondContact OG-OG1 3.43Å; V50-T309 HydrophobicContact CB-CG2 4.46Å; V50-T309 HydrophobicContact CG2-CG2 3.97Å; M232-T309 WeakPolarHBondContact CE-O 3.46Å
310	T	92.9	Very high	96	Very high	95 Å²	95	48.6 Å²	48.6	58%	0.583	24%	0.237	S	C	*	.	S	Bend	trans	-132.6	69.1	178.8	59.3	0	0	0	0	110	S308	S308-T310 VanDerWaalsContact C-N 3.26Å; S308-T310 PolarHBondContact OG-N 3.36Å; S308-T310 PolarHBondContact OG-O 2.95Å
311	P	96.6	Very high	95.7	Very high	23 Å²	23	49.3 Å²	49.3	15%	0.149	24%	0.236	C	C	.	.			trans	-64.9	148.8	179.1	30.2	-34.3	0	0	0	110.4	M232 Y315	M232-P311 HydrophobicContact CB-CG 4.14Å; M232-P311 HydrophobicContact CG-CG 4.44Å; M232-P311 WeakPolarHBondContact SD-CD 3.23Å; M232-P311 HydrophobicContact SD-CG 3.39Å; M232-P311 WeakPolarHBondContact SD-CG 3.14Å; P311-Y315 WeakPolarHBondContact CA-OH 3.06Å; P311-Y315 WeakPolarHBondContact CB-OH 3.39Å
312	Y	97.9	Very high	95.3	Very high	144 Å²	144	50 Å²	50	57%	0.565	24%	0.235	S	C	*	.			trans	-67.3	151.4	171.6	-54.6	-61.3	0	0	0	110.6	S234 H304 R314 Y315	S234-Y312 PolarHBondContact OG-O 3.02Å; H304-Y312 AromaticContact CE1-CE2 3.93Å; Y312-R314 VanDerWaalsContact C-N 3.27Å; Y312-Y315 HydrophobicContact CD2-CD1 4.07Å; Y312-Y315 AromaticContact CD2-CE1 3.52Å; Y312-Y315 HydrophobicContact CD2-CE1 3.52Å; Y312-Y315 AromaticContact CD2-CZ 3.81Å; Y312-Y315 HydrophobicContact CE2-CE1 4.32Å; Y312-Y315 HydrophobicContact CG-CE1 4.41Å; Y312-Y315 PolarHBondContact N-OH 3.34Å; Y312-Y315 VanDerWaalsContact O-CE2 3.25Å; Y312-Y315 WeakPolarHBondContact O-CE2 3.34Å
313	T	97.6	Very high	95.1	Very high	67 Å²	67	54.6 Å²	54.6	41%	0.411	25%	0.253	S	S	.	.	S	Bend	trans	-70.4	-28.2	171.8	55.9	0	0	0	0	111.9	I235	I235-T313 PolarHBondContact N-O 3.25Å
314	R	98	Very high	94.8	Very high	57 Å²	57	57.7 Å²	57.7	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.3	-179.4	-72.8	179.4	166.4	82.7	1.3	111.8	E216 D220 I235 E237 Y312	E216-R314 IonicContact OE2-CZ 3.59Å; E216-R314 IonicContact OE2-NE 3.49Å; E216-R314 PolarHBondContact OE2-NE 3.07Å; E216-R314 IonicContact OE2-NH2 2.8Å; E216-R314 PolarHBondContact OE2-NH2 3.47Å; D220-R314 IonicContact OD1-CZ 3.48Å; D220-R314 IonicContact OD1-NH1 3.7Å; D220-R314 PolarHBondContact OD1-NH1 2.93Å; D220-R314 VanDerWaalsContact OD1-NH1 3.17Å; D220-R314 IonicContact OD1-NH2 3.42Å; D220-R314 IonicContact OD2-CZ 2.81Å; D220-R314 IonicContact OD2-NH1 3.34Å; D220-R314 PolarHBondContact OD2-NH1 3.19Å; D220-R314 IonicContact OD2-NH2 3.5Å; D220-R314 PolarHBondContact OD2-NH2 3.21Å; I235-R314 HydrophobicContact CB-CG 4.22Å; I235-R314 HydrophobicContact CD1-CG 4.38Å; I235-R314 CarbonylContact O-C 3.51Å; I235-R314 VanDerWaalsContact O-CA 3.3Å; I235-R314 WeakPolarHBondContact O-CA 3.47Å; E237-R314 VanDerWaalsContact OE1-CD 3.28Å; E237-R314 WeakPolarHBondContact OE1-CD 2.88Å; E237-R314 IonicContact OE1-NE 3.77Å; E237-R314 PolarHBondContact OE1-NE 3.44Å; Y312-R314 VanDerWaalsContact C-N 3.27Å
315	Y	98.4	Very high	94.4	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.059	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.3	172.9	-63	-103	0	0	0	109.1	I235 V236 E237 H304 A305 P311 Y312 P317	I235-Y315 PolarHBondContact O-N 2.97Å; V236-Y315 HydrophobicContact CG2-CD2 4.24Å; V236-Y315 HydrophobicContact CG2-CG 4.46Å; E237-Y315 PolarHBondContact N-O 3.45Å; H304-Y315 HydrophobicContact CB-CE1 4.18Å; H304-Y315 AromaticContact ND1-CE1 3.35Å; H304-Y315 WeakPolarHBondContact ND1-CE1 2.98Å; H304-Y315 AromaticContact ND1-CZ 3.48Å; H304-Y315 PolarHBondContact ND1-OH 3.35Å; A305-Y315 WeakPolarHBondContact CA-OH 3.25Å; A305-Y315 HydrophobicContact CB-CD2 4.5Å; A305-Y315 HydrophobicContact CB-CE2 3.7Å; P311-Y315 WeakPolarHBondContact CA-OH 3.06Å; P311-Y315 WeakPolarHBondContact CB-OH 3.39Å; Y312-Y315 HydrophobicContact CD2-CD1 4.07Å; Y312-Y315 AromaticContact CD2-CE1 3.52Å; Y312-Y315 HydrophobicContact CD2-CE1 3.52Å; Y312-Y315 AromaticContact CD2-CZ 3.81Å; Y312-Y315 HydrophobicContact CE2-CE1 4.32Å; Y312-Y315 HydrophobicContact CG-CE1 4.41Å; Y312-Y315 PolarHBondContact N-OH 3.34Å; Y312-Y315 VanDerWaalsContact O-CE2 3.25Å; Y312-Y315 WeakPolarHBondContact O-CE2 3.34Å; Y315-P317 VanDerWaalsContact O-CD 3.23Å; Y315-P317 WeakPolarHBondContact O-CD 3.36Å
316	H	96.8	Very high	94.2	Very high	66 Å²	66	57.4 Å²	57.4	31%	0.306	26%	0.264	S	S	.	.			trans	-120.9	67.3	-176.7	-51.3	88.1	0	0	0	110.1	R199 E237 M318	R199-H316 PolarHBondContact NH1-NE2 2.88Å; E237-H316 IonicContact OE2-CD2 3.17Å; E237-H316 PolarHBondContact OE2-CD2 3.37Å; E237-H316 IonicContact OE2-NE2 3.51Å; E237-H316 PolarHBondContact OE2-NE2 3.37Å; H316-M318 HydrophobicContact CB-CE 4.01Å; H316-M318 HydrophobicContact CB-CG 4.4Å; H316-M318 PolarHBondContact O-N 3.5Å
317	P	96.2	Very high	93.9	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.052	27%	0.274	C	S	.	.			trans	-70.8	81.8	176.7	29.8	-33.5	0	0	0	109.3	V236 E237 P238 G239 F241 P297 V298 Y315	V236-P317 HydrophobicContact CG1-CG 3.55Å; E237-P317 WeakPolarHBondContact O-CD 3.45Å; P238-P317 HydrophobicContact CG-CG 4.41Å; G239-P317 PolarHBondContact N-O 3.25Å; F241-P317 WeakPolarHBondContact CE2-O 3.45Å; F241-P317 WeakPolarHBondContact CZ-O 3.39Å; P297-P317 HydrophobicContact CB-CB 3.9Å; P297-P317 WeakPolarHBondContact O-CB 3.42Å; V298-P317 HydrophobicContact CB-CB 4.48Å; V298-P317 HydrophobicContact CB-CG 4.36Å; V298-P317 HydrophobicContact CG2-CB 3.86Å; V298-P317 HydrophobicContact CG2-CG 3.8Å; Y315-P317 VanDerWaalsContact O-CD 3.23Å; Y315-P317 WeakPolarHBondContact O-CD 3.36Å
318	M	93.8	Very high	93.7	Very high	28 Å²	28	61.7 Å²	61.7	14%	0.138	29%	0.285	C	S	.	.	S	Bend	trans	-150.5	153.4	179.8	66.8	-174.7	70.2	0	0	109.1	M196 E237 H316 W322 W323	M196-M318 HydrophobicContact CB-CE 3.85Å; M196-M318 HydrophobicContact CB-SD 4.46Å; E237-M318 HydrophobicContact CB-CE 4.25Å; E237-M318 WeakPolarHBondContact O-CE 3.4Å; H316-M318 HydrophobicContact CB-CE 4.01Å; H316-M318 HydrophobicContact CB-CG 4.4Å; H316-M318 PolarHBondContact O-N 3.5Å; M318-W322 HydrophobicContact CB-CB 4.07Å; M318-W322 HydrophobicContact CG-CB 4.29Å; M318-W322 HydrophobicContact SD-CB 4.14Å; M318-W323 HydrophobicContact CG-CB 3.9Å; M318-W323 WeakPolarHBondContact SD-CA 3.37Å; M318-W323 HydrophobicContact SD-CB 3.93Å; M318-W323 PolarHBondContact SD-N 2.85Å
319	N	91.3	Very high	93.4	Very high	90 Å²	90	63.3 Å²	63.3	48%	0.481	29%	0.293	S	S	.	.			trans	-67.9	164.5	175	68.6	32.5	0	0	0	111.1	Y321 W322 W323	N319-Y321 PolarHBondContact O-N 2.87Å; N319-Y321 WeakPolarHBondContact OD1-CB 3.32Å; N319-Y321 PolarHBondContact OD1-N 3.29Å; N319-W322 PolarHBondContact O-N 3.1Å; N319-W322 PolarHBondContact OD1-N 3.18Å; N319-W323 PolarHBondContact O-N 3.39Å
320	Y	91.1	Very high	93.4	Very high	166 Å²	166	63.2 Å²	63.2	65%	0.651	29%	0.292	S	S	*	.	H	α-helix	trans	-57.5	-35.5	-177.7	-177.8	-104.8	0	0	0	113.2	W323 L324	Y320-W323 HydrophobicContact CD2-CE3 4.16Å; Y320-W323 AromaticContact CE2-CE3 3.96Å; Y320-W323 HydrophobicContact CE2-CE3 3.96Å; Y320-W323 HydrophobicContact CE2-CZ3 4.02Å; Y320-W323 PolarHBondContact O-N 3.31Å; Y320-L324 HydrophobicContact CE1-CD2 4.13Å; Y320-L324 VanDerWaalsContact O-CB 3.31Å; Y320-L324 WeakPolarHBondContact O-CB 3.38Å; Y320-L324 PolarHBondContact O-N 2.91Å
321	Y	90.6	Very high	93.4	Very high	132 Å²	132	64.6 Å²	64.6	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-51.5	177.2	168.9	-92.6	0	0	0	111.8	N319 W323 L324 R325	N319-Y321 PolarHBondContact O-N 2.87Å; N319-Y321 WeakPolarHBondContact OD1-CB 3.32Å; N319-Y321 PolarHBondContact OD1-N 3.29Å; Y321-W323 VanDerWaalsContact C-N 3.35Å; Y321-L324 PolarHBondContact O-N 3.46Å; Y321-R325 WeakPolarHBondContact O-CB 3.37Å; Y321-R325 PolarHBondContact O-N 3.08Å; Y321-R325 PolarHBondContact OH-NH1 3.33Å
322	W	91	Very high	93.2	Very high	35 Å²	35	67.7 Å²	67.7	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-38.3	179.1	-71.6	119.7	0	0	0	112.2	M196 N240 M318 N319 R325 M326	M196-W322 HydrophobicContact CE-CD2 3.79Å; M196-W322 HydrophobicContact CE-CE3 3.47Å; M196-W322 VanDerWaalsContact CE-CE3 3.47Å; M196-W322 HydrophobicContact CE-CG 4.42Å; M196-W322 HydrophobicContact CE-CH2 4.26Å; M196-W322 HydrophobicContact CE-CZ3 3.72Å; M196-W322 HydrophobicContact SD-CB 4Å; M196-W322 HydrophobicContact SD-CD2 3.88Å; M196-W322 HydrophobicContact SD-CE3 3.57Å; M196-W322 VanDerWaalsContact SD-CE3 3.57Å; M196-W322 HydrophobicContact SD-CG 4.07Å; M196-W322 HydrophobicContact SD-CZ3 4.34Å; N240-W322 HydrophobicContact CB-CZ2 3.89Å; M318-W322 HydrophobicContact CB-CB 4.07Å; M318-W322 HydrophobicContact CG-CB 4.29Å; M318-W322 HydrophobicContact SD-CB 4.14Å; N319-W322 PolarHBondContact O-N 3.1Å; N319-W322 PolarHBondContact OD1-N 3.18Å; W322-R325 PolarHBondContact O-N 3.5Å; W322-M326 WeakPolarHBondContact O-CB 3.37Å; W322-M326 PolarHBondContact O-N 2.99Å
323	W	93	Very high	93	Very high	99 Å²	99	64.7 Å²	64.7	38%	0.375	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-51.5	175.9	-179.6	85.1	0	0	0	111.4	M318 N319 Y320 Y321 R325 M326 Q327	M318-W323 HydrophobicContact CG-CB 3.9Å; M318-W323 WeakPolarHBondContact SD-CA 3.37Å; M318-W323 HydrophobicContact SD-CB 3.93Å; M318-W323 PolarHBondContact SD-N 2.85Å; N319-W323 PolarHBondContact O-N 3.39Å; Y320-W323 HydrophobicContact CD2-CE3 4.16Å; Y320-W323 AromaticContact CE2-CE3 3.96Å; Y320-W323 HydrophobicContact CE2-CE3 3.96Å; Y320-W323 HydrophobicContact CE2-CZ3 4.02Å; Y320-W323 PolarHBondContact O-N 3.31Å; Y321-W323 VanDerWaalsContact C-N 3.35Å; W323-R325 VanDerWaalsContact C-N 3.33Å; W323-R325 PolarHBondContact O-N 2.93Å; W323-M326 PolarHBondContact O-N 3.27Å; W323-Q327 HydrophobicContact CD2-CG 4.06Å; W323-Q327 HydrophobicContact CE3-CG 4.25Å; W323-Q327 HydrophobicContact CH2-CG 3.97Å; W323-Q327 HydrophobicContact CZ2-CG 3.77Å; W323-Q327 HydrophobicContact CZ3-CG 4.2Å; W323-Q327 WeakPolarHBondContact O-CG 3.2Å; W323-Q327 PolarHBondContact O-N 3.4Å
324	L	92.5	Very high	92.6	Very high	68 Å²	68	64.5 Å²	64.5	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-42.9	179.5	179.9	62.5	0	0	0	111.2	Y320 Y321 M326 Q327 I328	Y320-L324 HydrophobicContact CE1-CD2 4.13Å; Y320-L324 VanDerWaalsContact O-CB 3.31Å; Y320-L324 WeakPolarHBondContact O-CB 3.38Å; Y320-L324 PolarHBondContact O-N 2.91Å; Y321-L324 PolarHBondContact O-N 3.46Å; L324-M326 PolarHBondContact O-N 3.45Å; L324-Q327 PolarHBondContact O-N 3.06Å; L324-I328 HydrophobicContact CD1-CD1 4.28Å; L324-I328 HydrophobicContact CD1-CG1 4.42Å; L324-I328 HydrophobicContact CG-CD1 3.99Å; L324-I328 WeakPolarHBondContact O-CG1 3.32Å; L324-I328 PolarHBondContact O-N 3.35Å
325	R	89.3	Confident	92.2	Very high	54 Å²	54	65.7 Å²	65.7	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-47.8	176.6	-173.1	176.8	-174.8	164.2	1.7	111.4	Y321 W322 W323 Q327 I328 M329 Y341	Y321-R325 WeakPolarHBondContact O-CB 3.37Å; Y321-R325 PolarHBondContact O-N 3.08Å; Y321-R325 PolarHBondContact OH-NH1 3.33Å; W322-R325 PolarHBondContact O-N 3.5Å; W323-R325 VanDerWaalsContact C-N 3.33Å; W323-R325 PolarHBondContact O-N 2.93Å; R325-Q327 VanDerWaalsContact C-N 3.34Å; R325-Q327 PolarHBondContact O-N 3.43Å; R325-I328 PolarHBondContact O-N 2.96Å; R325-M329 HydrophobicContact CG-SD 4.11Å; R325-M329 VanDerWaalsContact O-CG 3.3Å; R325-M329 WeakPolarHBondContact O-CG 3.12Å; R325-M329 PolarHBondContact O-N 3.38Å; R325-Y341 VanDerWaalsContact CZ-CE2 3.46Å; R325-Y341 VanDerWaalsContact NH2-CZ 3.26Å
326	M	92.2	Very high	91.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-42.7	176.5	179.4	-87.6	-72.2	0	0	111.5	R199 M200 W322 W323 L324 I328 M329 T330	R199-M326 HydrophobicContact CB-CG 4.38Å; R199-M326 HydrophobicContact CB-SD 4.47Å; M200-M326 HydrophobicContact CG-CG 4.25Å; M200-M326 HydrophobicContact SD-CB 4.15Å; W322-M326 WeakPolarHBondContact O-CB 3.37Å; W322-M326 PolarHBondContact O-N 2.99Å; W323-M326 PolarHBondContact O-N 3.27Å; L324-M326 PolarHBondContact O-N 3.45Å; M326-I328 PolarHBondContact O-N 3.27Å; M326-M329 PolarHBondContact O-N 2.91Å; M326-T330 HydrophobicContact CG-CG2 4.38Å; M326-T330 WeakPolarHBondContact O-CB 3.45Å; M326-T330 WeakPolarHBondContact O-CG2 3.49Å; M326-T330 PolarHBondContact O-N 3.12Å; M326-T330 PolarHBondContact O-OG1 3.09Å; M326-T330 HydrophobicContact SD-CG2 4.22Å
327	Q	92.2	Very high	91.2	Very high	45 Å²	45	65.9 Å²	65.9	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-46.2	176.6	-65.8	-53.4	-40.3	0	0	112.3	W323 L324 R325 M329 T330 H331	W323-Q327 HydrophobicContact CD2-CG 4.06Å; W323-Q327 HydrophobicContact CE3-CG 4.25Å; W323-Q327 HydrophobicContact CH2-CG 3.97Å; W323-Q327 HydrophobicContact CZ2-CG 3.77Å; W323-Q327 HydrophobicContact CZ3-CG 4.2Å; W323-Q327 WeakPolarHBondContact O-CG 3.2Å; W323-Q327 PolarHBondContact O-N 3.4Å; L324-Q327 PolarHBondContact O-N 3.06Å; R325-Q327 VanDerWaalsContact C-N 3.34Å; R325-Q327 PolarHBondContact O-N 3.43Å; Q327-M329 VanDerWaalsContact C-N 3.33Å; Q327-M329 PolarHBondContact O-N 2.97Å; Q327-T330 PolarHBondContact O-N 3.47Å; Q327-T330 PolarHBondContact O-OG1 3.48Å; Q327-H331 WeakPolarHBondContact O-CB 3.34Å; Q327-H331 PolarHBondContact O-N 2.9Å; Q327-H331 PolarHBondContact O-ND1 3.39Å; Q327-H331 PolarHBondContact OE1-CE1 3.22Å; Q327-H331 PolarHBondContact OE1-ND1 3.28Å
328	I	90.8	Very high	90.8	Very high	52 Å²	52	69.7 Å²	69.7	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-49	177.2	-71.5	168.6	0	0	0	109.9	L324 R325 M326 T330 M332 L340	L324-I328 HydrophobicContact CD1-CD1 4.28Å; L324-I328 HydrophobicContact CD1-CG1 4.42Å; L324-I328 HydrophobicContact CG-CD1 3.99Å; L324-I328 WeakPolarHBondContact O-CG1 3.32Å; L324-I328 PolarHBondContact O-N 3.35Å; R325-I328 PolarHBondContact O-N 2.96Å; M326-I328 PolarHBondContact O-N 3.27Å; I328-T330 VanDerWaalsContact C-N 3.27Å; I328-T330 PolarHBondContact O-N 3.21Å; I328-M332 HydrophobicContact CB-CG 4.46Å; I328-M332 HydrophobicContact CG2-CG 4.06Å; I328-M332 WeakPolarHBondContact O-CB 3.41Å; I328-M332 WeakPolarHBondContact O-CG 3.45Å; I328-M332 PolarHBondContact O-N 3.46Å; I328-L340 HydrophobicContact CG2-CD1 3.66Å
329	M	89.1	Confident	90.4	Very high	38 Å²	38	77.3 Å²	77.3	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-69.6	-24.5	-175.8	-68.6	-177.4	72.3	0	0	114.3	M200 G201 R325 M326 Q327 Y341	M200-M329 HydrophobicContact CB-CB 4.04Å; M200-M329 HydrophobicContact CB-CE 4.12Å; M200-M329 HydrophobicContact CB-SD 4.21Å; M200-M329 HydrophobicContact CE-CE 3.61Å; M200-M329 HydrophobicContact CE-SD 3.22Å; M200-M329 WeakPolarHBondContact CE-SD 3.45Å; M200-M329 HydrophobicContact SD-CE 4.46Å; M200-M329 HydrophobicContact SD-SD 3.58Å; G201-M329 WeakPolarHBondContact O-CE 3.44Å; R325-M329 HydrophobicContact CG-SD 4.11Å; R325-M329 VanDerWaalsContact O-CG 3.3Å; R325-M329 WeakPolarHBondContact O-CG 3.12Å; R325-M329 PolarHBondContact O-N 3.38Å; M326-M329 PolarHBondContact O-N 2.91Å; Q327-M329 VanDerWaalsContact C-N 3.33Å; Q327-M329 PolarHBondContact O-N 2.97Å; M329-Y341 HydrophobicContact CE-CD2 3.25Å; M329-Y341 HydrophobicContact CE-CE2 3.47Å; M329-Y341 VanDerWaalsContact CE-CE2 3.47Å; M329-Y341 HydrophobicContact CE-CG 3.89Å; M329-Y341 HydrophobicContact CG-CD2 4.44Å; M329-Y341 HydrophobicContact SD-CD2 3.23Å; M329-Y341 WeakPolarHBondContact SD-CD2 3.46Å; M329-Y341 HydrophobicContact SD-CE2 3.39Å; M329-Y341 WeakPolarHBondContact SD-CE2 3.42Å; M329-Y341 HydrophobicContact SD-CG 4.34Å
330	T	90.8	Very high	89.7	Confident	45 Å²	45	78.4 Å²	78.4	28%	0.276	39%	0.387	S	S	.	.	H	α-helix	trans	-95.4	-21.4	-176.9	47.9	0	0	0	0	113.6	R199 M326 Q327 I328	R199-T330 HydrophobicContact CB-CG2 4.03Å; R199-T330 WeakPolarHBondContact O-CG2 3.23Å; M326-T330 HydrophobicContact CG-CG2 4.38Å; M326-T330 WeakPolarHBondContact O-CB 3.45Å; M326-T330 WeakPolarHBondContact O-CG2 3.49Å; M326-T330 PolarHBondContact O-N 3.12Å; M326-T330 PolarHBondContact O-OG1 3.09Å; M326-T330 HydrophobicContact SD-CG2 4.22Å; Q327-T330 PolarHBondContact O-N 3.47Å; Q327-T330 PolarHBondContact O-OG1 3.48Å; I328-T330 VanDerWaalsContact C-N 3.27Å; I328-T330 PolarHBondContact O-N 3.21Å
331	H	92.7	Very high	88.8	Confident	124 Å²	124	72.7 Å²	72.7	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-122.3	-18.6	-172.8	-58.7	80.4	0	0	0	114.3	Q327	Q327-H331 WeakPolarHBondContact O-CB 3.34Å; Q327-H331 PolarHBondContact O-N 2.9Å; Q327-H331 PolarHBondContact O-ND1 3.39Å; Q327-H331 PolarHBondContact OE1-CE1 3.22Å; Q327-H331 PolarHBondContact OE1-ND1 3.28Å
332	M	92.4	Very high	87.9	Confident	88 Å²	88	71 Å²	71	43%	0.433	37%	0.368	S	S	.	.	S	Bend	trans	-82.9	152.8	175.1	-63.3	-66.8	-73.4	0	0	110.8	I328 I336	I328-M332 HydrophobicContact CB-CG 4.46Å; I328-M332 HydrophobicContact CG2-CG 4.06Å; I328-M332 WeakPolarHBondContact O-CB 3.41Å; I328-M332 WeakPolarHBondContact O-CG 3.45Å; I328-M332 PolarHBondContact O-N 3.46Å; M332-I336 HydrophobicContact CB-CB 4.5Å; M332-I336 HydrophobicContact CE-CD1 3.8Å; M332-I336 HydrophobicContact CE-CG2 3.95Å
333	P	93.1	Very high	86.2	Confident	82 Å²	82	80.6 Å²	80.6	53%	0.532	41%	0.406	S	S	.	.			trans	-52.8	140.8	169.9	-25.4	33.4	0	0	0	112	A335 I336 S337	P333-A335 PolarHBondContact O-N 3.47Å; P333-A335 VanDerWaalsContact O-N 3.13Å; P333-I336 HydrophobicContact CG-CD1 4.36Å; P333-I336 WeakPolarHBondContact O-CB 3.28Å; P333-I336 PolarHBondContact O-N 2.73Å; P333-S337 PolarHBondContact O-N 2.95Å; P333-S337 VanDerWaalsContact O-N 3.13Å
334	A	89.6	Confident	85.9	Confident	62 Å²	62	79.7 Å²	79.7	51%	0.512	41%	0.407	S	S	.	.	H	α-helix	trans	-50.9	-41.4	-177.1	0	0	0	0	0	113.1	I336 S337 D338	A334-I336 PolarHBondContact O-N 2.9Å; A334-I336 VanDerWaalsContact O-N 3.08Å; A334-S337 VanDerWaalsContact CA-OG 3.29Å; A334-S337 WeakPolarHBondContact CA-OG 3.47Å; A334-S337 PolarHBondContact O-N 2.72Å; A334-S337 PolarHBondContact O-OG 2.92Å; A334-S337 VanDerWaalsContact O-OG 3.11Å; A334-D338 WeakPolarHBondContact O-CB 3.16Å; A334-D338 PolarHBondContact O-N 3.35Å
335	A	89	Confident	85.6	Confident	82 Å²	82	80.3 Å²	80.3	68%	0.678	41%	0.41	S	S	*	.	H	α-helix	trans	-57.4	-28.1	177.9	0	0	0	0	0	114	P333 R339	P333-A335 PolarHBondContact O-N 3.47Å; P333-A335 VanDerWaalsContact O-N 3.13Å; A335-R339 WeakPolarHBondContact O-CB 3.46Å
336	I	87.3	Confident	85.4	Confident	77 Å²	77	81.7 Å²	81.7	40%	0.395	42%	0.421	S	S	.	.	H	α-helix	trans	-88.1	-48.3	177.2	-61.1	175.3	0	0	0	110	M332 P333 A334 D338 R339 L340	M332-I336 HydrophobicContact CB-CB 4.5Å; M332-I336 HydrophobicContact CE-CD1 3.8Å; M332-I336 HydrophobicContact CE-CG2 3.95Å; P333-I336 HydrophobicContact CG-CD1 4.36Å; P333-I336 WeakPolarHBondContact O-CB 3.28Å; P333-I336 PolarHBondContact O-N 2.73Å; A334-I336 PolarHBondContact O-N 2.9Å; A334-I336 VanDerWaalsContact O-N 3.08Å; I336-D338 VanDerWaalsContact C-N 3.34Å; I336-D338 PolarHBondContact O-N 2.95Å; I336-R339 PolarHBondContact O-N 3.24Å; I336-L340 HydrophobicContact CG2-CD1 4.19Å; I336-L340 WeakPolarHBondContact O-CG 3.37Å; I336-L340 PolarHBondContact O-N 2.64Å; I336-L340 VanDerWaalsContact O-N 3.16Å
337	S	87.6	Confident	85	Confident	8 Å²	8	86.5 Å²	86.5	6%	0.056	45%	0.446	C	S	.	.	H	α-helix	trans	-62.5	-41.7	-178.8	55.9	0	0	0	0	112.2	P333 A334 R339 L340 Y341	P333-S337 PolarHBondContact O-N 2.95Å; P333-S337 VanDerWaalsContact O-N 3.13Å; A334-S337 VanDerWaalsContact CA-OG 3.29Å; A334-S337 WeakPolarHBondContact CA-OG 3.47Å; A334-S337 PolarHBondContact O-N 2.72Å; A334-S337 PolarHBondContact O-OG 2.92Å; A334-S337 VanDerWaalsContact O-OG 3.11Å; S337-R339 VanDerWaalsContact C-N 3.32Å; S337-R339 PolarHBondContact O-N 2.81Å; S337-L340 PolarHBondContact O-N 3.36Å; S337-Y341 WeakPolarHBondContact O-CB 3.37Å; S337-Y341 PolarHBondContact O-N 3.34Å
338	D	88.1	Confident	84.5	Confident	88 Å²	88	89.1 Å²	89.1	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-37.1	-179	-63.1	-5.3	0	0	0	110.1	A334 I336 L340 Y341 V342	A334-D338 WeakPolarHBondContact O-CB 3.16Å; A334-D338 PolarHBondContact O-N 3.35Å; I336-D338 VanDerWaalsContact C-N 3.34Å; I336-D338 PolarHBondContact O-N 2.95Å; D338-L340 VanDerWaalsContact C-N 3.3Å; D338-L340 PolarHBondContact O-N 3.39Å; D338-Y341 PolarHBondContact O-N 2.84Å; D338-Y341 VanDerWaalsContact O-N 3.15Å; D338-V342 VanDerWaalsContact O-CB 3.27Å; D338-V342 WeakPolarHBondContact O-CB 3.43Å; D338-V342 WeakPolarHBondContact O-CG2 3.45Å; D338-V342 PolarHBondContact O-N 3.34Å
339	R	84.3	Confident	84.1	Confident	189 Å²	189	91.6 Å²	91.6	71%	0.713	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-33	176.5	-166.3	173.1	-175.5	155.2	1.7	113	A335 I336 S337 Y341 Y343	A335-R339 WeakPolarHBondContact O-CB 3.46Å; I336-R339 PolarHBondContact O-N 3.24Å; S337-R339 VanDerWaalsContact C-N 3.32Å; S337-R339 PolarHBondContact O-N 2.81Å; R339-Y341 VanDerWaalsContact C-N 3.31Å; R339-Y343 HydrophobicContact CG-CD2 4.34Å; R339-Y343 WeakPolarHBondContact O-CB 3.09Å
340	L	78.1	Confident	83.7	Confident	112 Å²	112	95.4 Å²	95.4	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-78.2	-17	175.9	-69.7	170.1	0	0	0	113.3	I328 I336 S337 D338	I328-L340 HydrophobicContact CG2-CD1 3.66Å; I336-L340 HydrophobicContact CG2-CD1 4.19Å; I336-L340 WeakPolarHBondContact O-CG 3.37Å; I336-L340 PolarHBondContact O-N 2.64Å; I336-L340 VanDerWaalsContact O-N 3.16Å; S337-L340 PolarHBondContact O-N 3.36Å; D338-L340 VanDerWaalsContact C-N 3.3Å; D338-L340 PolarHBondContact O-N 3.39Å
341	Y	71.5	Confident	83.2	Confident	47 Å²	47	99.3 Å²	99.3	18%	0.184	51%	0.511	C	S	.	.	H	α-helix	trans	-106	-39.3	-173.1	-156.7	-76	0	0	0	113.1	M200 S202 P203 R325 M329 S337 D338 R339	M200-Y341 HydrophobicContact CE-CE2 3.7Å; S202-Y341 WeakPolarHBondContact CB-OH 3.4Å; S202-Y341 PolarHBondContact OG-OH 3.05Å; P203-Y341 HydrophobicContact CG-CD1 4.07Å; P203-Y341 HydrophobicContact CG-CE1 3.76Å; R325-Y341 VanDerWaalsContact CZ-CE2 3.46Å; R325-Y341 VanDerWaalsContact NH2-CZ 3.26Å; M329-Y341 HydrophobicContact CE-CD2 3.25Å; M329-Y341 HydrophobicContact CE-CE2 3.47Å; M329-Y341 VanDerWaalsContact CE-CE2 3.47Å; M329-Y341 HydrophobicContact CE-CG 3.89Å; M329-Y341 HydrophobicContact CG-CD2 4.44Å; M329-Y341 HydrophobicContact SD-CD2 3.23Å; M329-Y341 WeakPolarHBondContact SD-CD2 3.46Å; M329-Y341 HydrophobicContact SD-CE2 3.39Å; M329-Y341 WeakPolarHBondContact SD-CE2 3.42Å; M329-Y341 HydrophobicContact SD-CG 4.34Å; S337-Y341 WeakPolarHBondContact O-CB 3.37Å; S337-Y341 PolarHBondContact O-N 3.34Å; D338-Y341 PolarHBondContact O-N 2.84Å; D338-Y341 VanDerWaalsContact O-N 3.15Å; R339-Y341 VanDerWaalsContact C-N 3.31Å
342	V	72.6	Confident	82.4	Confident	96 Å²	96	97.3 Å²	97.3	58%	0.582	51%	0.506	S	S	*	.	H	α-helix	trans	-88	-31	-177	179.3	0	0	0	0	111.6	D338	D338-V342 VanDerWaalsContact O-CB 3.27Å; D338-V342 WeakPolarHBondContact O-CB 3.43Å; D338-V342 WeakPolarHBondContact O-CG2 3.45Å; D338-V342 PolarHBondContact O-N 3.34Å
343	Y	55.5	Low	81.5	Confident	236 Å²	236	98.1 Å²	98.1	93%	0.925	51%	0.512	S	S	*	.			trans	-117.9	0	-175.5	-59.7	-85.6	0	0	0	112	R339	R339-Y343 HydrophobicContact CG-CD2 4.34Å; R339-Y343 WeakPolarHBondContact O-CB 3.09Å

Retrieved 343 of 343 residues in 129.2 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).