A0A5K4F8J0_SCHMA Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A5K4F8J0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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	35.7	Very low	34.5	Very low	248 Å²	248	160.9 Å²	160.9	100%	1.222	86%	0.864	S	S	*	*				0	83.7	0	-83.5	171	143.6	0	0	109.3
2	M	33.7	Very low	34.7	Very low	199 Å²	199	167.2 Å²	167.2	98%	0.98	87%	0.869	S	S	*	*			trans	-178.3	120.3	152.1	-108.9	-177.6	156.6	0	0	104.6
3	S	31.2	Very low	34.2	Very low	124 Å²	124	161.9 Å²	161.9	87%	0.867	85%	0.853	S	S	*	*			trans	-100.1	154.3	-159.6	33.3	0	0	0	0	112.7
4	N	29.6	Very low	34	Very low	160 Å²	160	167.9 Å²	167.9	86%	0.856	86%	0.859	S	S	*	*			trans	-48.8	147.7	178.1	-68.5	-33.9	0	0	0	116.4
5	C	31.6	Very low	33.9	Very low	111 Å²	111	167.9 Å²	167.9	75%	0.75	86%	0.861	S	S	*	*			trans	-177.1	127.3	153.9	-99.2	0	0	0	0	105.3
6	F	35.6	Very low	34.1	Very low	182 Å²	182	168.2 Å²	168.2	80%	0.798	86%	0.863	S	S	*	*			cis	-157.2	145.2	36.4	-100	-92.7	0	0	0	109.3	T8	F6-T8 HydrophobicContact CD1-CG2 4.17Å
7	N	32.7	Very low	34.3	Very low	164 Å²	164	170.2 Å²	170.2	88%	0.877	86%	0.864	S	S	*	*			trans	-132	117.6	165.4	-148.6	-0.6	0	0	0	106.2
8	T	41.8	Very low	34.1	Very low	120 Å²	120	171.7 Å²	171.7	74%	0.736	86%	0.863	S	S	*	*			trans	-126	113.4	179	46.7	0	0	0	0	110.3	F6	F6-T8 HydrophobicContact CD1-CG2 4.17Å
9	K	33.2	Very low	34.3	Very low	208 Å²	208	174 Å²	174	90%	0.904	87%	0.868	S	S	*	*			trans	-95.1	137.6	163	-82.9	-178.4	174	178.9	0	109.3
10	S	38	Very low	34.6	Very low	111 Å²	111	173.4 Å²	173.4	78%	0.776	87%	0.867	S	S	*	*			trans	-164.3	93.9	159.5	171.5	0	0	0	0	107.5
11	I	36.6	Very low	34.8	Very low	143 Å²	143	168.6 Å²	168.6	73%	0.733	86%	0.862	S	S	*	*				49.4	106.4	98.1	-55.8	174.7	0	0	0	113.8
12	Y	36.3	Very low	35	Very low	236 Å²	236	164.5 Å²	164.5	93%	0.925	84%	0.843	S	S	*	*			trans	-152	135	138.3	-125.2	-91.6	0	0	0	110.8
13	C	28.3	Very low	35.2	Very low	99 Å²	99	162.1 Å²	162.1	67%	0.669	83%	0.833	S	S	*	*			trans	-82.7	154.3	-169.7	-66.5	0	0	0	0	114
14	R	31.9	Very low	35.7	Very low	246 Å²	246	162.1 Å²	162.1	93%	0.928	82%	0.822	S	S	*	*				166.5	132.1	105.7	-90.2	178.2	-172.1	177.6	3.1	112.6
15	N	32.2	Very low	36.1	Very low	168 Å²	168	162.4 Å²	162.4	90%	0.898	82%	0.822	S	S	*	*			trans	-71.6	144.7	172.2	-80.2	-45	0	0	0	112.4
16	I	36.7	Very low	36.5	Very low	172 Å²	172	165 Å²	165	88%	0.882	82%	0.821	S	S	*	*			trans	-124.3	130.9	160.4	-68.1	177	0	0	0	108.7
17	K	37.5	Very low	36.5	Very low	203 Å²	203	164.2 Å²	164.2	88%	0.883	82%	0.824	S	S	*	*			trans	-78.9	153.2	-174.6	-81	176.2	170.7	178.1	0	113.1
18	K	31.8	Very low	36.9	Very low	197 Å²	197	165.2 Å²	165.2	86%	0.857	82%	0.821	S	S	*	*			trans	-58.4	145.1	171.1	-77.9	177.6	170.6	178.7	0	113.7
19	F	37.8	Very low	36.6	Very low	215 Å²	215	162.9 Å²	162.9	94%	0.943	82%	0.821	S	S	*	*			trans	-143.3	137.9	147.3	-119.1	-89.6	0	0	0	110.7
20	N	39.2	Very low	36.9	Very low	161 Å²	161	159.9 Å²	159.9	86%	0.861	81%	0.813	S	S	*	*			trans	-73.2	150.9	-178.9	-72.2	-29.1	0	0	0	112.2
21	G	40.4	Very low	36.9	Very low	73 Å²	73	162.6 Å²	162.6	75%	0.753	82%	0.817	S	S	*	*			trans	156.3	104.7	161.6	0	0	0	0	0	114.3
22	I	38.5	Very low	37.2	Very low	162 Å²	162	162.2 Å²	162.2	83%	0.831	82%	0.815	S	S	*	*			trans	-21.6	132.9	163.4	-62.1	159.4	0	0	0	113.9
23	I	39.1	Very low	37.4	Very low	150 Å²	150	154 Å²	154	77%	0.769	80%	0.802	S	S	*	*			trans	-166.6	114.2	144	-93.1	141.8	0	0	0	110.7
24	I	40.1	Very low	37.7	Very low	124 Å²	124	160 Å²	160	64%	0.636	81%	0.81	S	S	*	*			trans	51.1	108.2	136.1	-47.5	175	0	0	0	118.1	F26	I24-F26 HydrophobicContact CG2-CD2 3.7Å; I24-F26 HydrophobicContact CG2-CE2 3.94Å; I24-F26 PolarHBondContact O-N 3.24Å
25	I	38.8	Very low	38.1	Very low	166 Å²	166	159.3 Å²	159.3	85%	0.851	81%	0.808	S	S	*	*			trans	-69.9	106.9	163.6	-62.5	172.1	0	0	0	108.5
26	F	39.9	Very low	38.6	Very low	166 Å²	166	158.6 Å²	158.6	73%	0.728	80%	0.802	S	S	*	*			trans	-97.3	118	161.4	-104.3	-87.1	0	0	0	109.1	I24 F28	I24-F26 HydrophobicContact CG2-CD2 3.7Å; I24-F26 HydrophobicContact CG2-CE2 3.94Å; I24-F26 PolarHBondContact O-N 3.24Å; F26-F28 PolarHBondContact O-N 3.26Å
27	L	36.1	Very low	38.8	Very low	164 Å²	164	155.2 Å²	155.2	86%	0.859	79%	0.794	S	S	*	*			trans	-65.6	109	162.8	-79.7	156.9	0	0	0	108.7
28	F	41	Very low	39.4	Very low	186 Å²	186	152.7 Å²	152.7	82%	0.816	79%	0.785	S	S	*	*			trans	-137.9	117.9	159.5	-109.2	-88.9	0	0	0	108.8	F26	F26-F28 PolarHBondContact O-N 3.26Å
29	G	34.5	Very low	40	Very low	71 Å²	71	148 Å²	148	73%	0.732	78%	0.775	S	S	*	*			trans	-68.4	141	178.2	0	0	0	0	0	111.9
30	I	40.4	Very low	40.4	Very low	144 Å²	144	146.3 Å²	146.3	74%	0.738	77%	0.77	S	S	*	*			trans	-139.9	101.8	152.6	-65.5	-173.2	0	0	0	106.7	I32	I30-I32 HydrophobicContact CG2-CD1 3.54Å; I30-I32 HydrophobicContact CG2-CG1 3.59Å; I30-I32 PolarHBondContact O-N 3.33Å
31	I	38.4	Very low	40.9	Very low	169 Å²	169	142.8 Å²	142.8	87%	0.867	75%	0.751	S	S	*	*			trans	-71.9	106	163.6	-65.2	169.3	0	0	0	106.4
32	I	43	Very low	41.2	Very low	135 Å²	135	149 Å²	149	69%	0.692	76%	0.758	S	S	*	*			trans	-131	78	159	-60.2	169.9	0	0	0	107.2	I30 R34	I30-I32 HydrophobicContact CG2-CD1 3.54Å; I30-I32 HydrophobicContact CG2-CG1 3.59Å; I30-I32 PolarHBondContact O-N 3.33Å; I32-R34 VanDerWaalsContact C-N 3.35Å; I32-R34 PolarHBondContact O-N 3.11Å; I32-R34 VanDerWaalsContact O-N 3.11Å
33	G	40.1	Very low	41.6	Very low	62 Å²	62	147.8 Å²	147.8	64%	0.639	75%	0.747	S	S	*	*			trans	-68	97.8	157.1	0	0	0	0	0	107.6	W35	G33-W35 VanDerWaalsContact C-N 3.26Å; G33-W35 PolarHBondContact O-N 3.12Å
34	R	35.2	Very low	41.6	Very low	225 Å²	225	149.2 Å²	149.2	85%	0.849	75%	0.75	S	S	*	*			trans	-70.1	83.1	179	-154.8	175.7	-173.8	175.2	1.6	108.7	I32 I36	I32-R34 VanDerWaalsContact C-N 3.35Å; I32-R34 PolarHBondContact O-N 3.11Å; I32-R34 VanDerWaalsContact O-N 3.11Å; R34-I36 PolarHBondContact O-N 2.86Å; R34-I36 VanDerWaalsContact O-N 3.12Å
35	W	40.1	Very low	42.2	Very low	233 Å²	233	150.4 Å²	150.4	88%	0.883	75%	0.747	S	S	*	*			trans	-61.1	109.7	160.1	-87.3	78.4	0	0	0	107	G33 S37	G33-W35 VanDerWaalsContact C-N 3.26Å; G33-W35 PolarHBondContact O-N 3.12Å; W35-S37 PolarHBondContact O-N 2.9Å
36	I	41.5	Very low	43	Very low	153 Å²	153	149.6 Å²	149.6	79%	0.785	74%	0.744	S	S	*	*			trans	-72.2	82.9	166.5	-59.9	171.8	0	0	0	105.3	R34 Q38	R34-I36 PolarHBondContact O-N 2.86Å; R34-I36 VanDerWaalsContact O-N 3.12Å; I36-Q38 PolarHBondContact O-N 3.43Å
37	S	41.4	Very low	44.9	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-60.7	126	162.9	40.2	0	0	0	0	107.5	W35	W35-S37 PolarHBondContact O-N 2.9Å
38	Q	49.3	Very low	47.4	Very low	150 Å²	150	142.1 Å²	142.1	70%	0.701	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-57.5	138.1	168.5	-67	-150.6	-10.1	0	0	108	I36 E40	I36-Q38 PolarHBondContact O-N 3.43Å; Q38-E40 PolarHBondContact O-N 3.19Å
39	P	45.1	Very low	49.9	Very low	100 Å²	100	134 Å²	134	65%	0.649	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-58.5	116.5	179	23	-30.3	0	0	0	108.4	D41 Y110	P39-D41 PolarHBondContact O-N 3.42Å; P39-Y110 HydrophobicContact CG-CE2 4.48Å
40	E	46.9	Very low	52.7	Low	178 Å²	178	132.8 Å²	132.8	83%	0.832	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-52.2	138.2	171.5	-76	-178.4	156.6	0	0	109.6	Q38 K42	Q38-E40 PolarHBondContact O-N 3.19Å; E40-K42 PolarHBondContact O-N 3.49Å
41	D	48.6	Very low	55.3	Low	88 Å²	88	132.3 Å²	132.3	47%	0.471	64%	0.644	S	S	.	*			trans	-58.9	92.4	-170.3	-162.1	1.6	0	0	0	111.4	P39 F43 R116	P39-D41 PolarHBondContact O-N 3.42Å; D41-F43 PolarHBondContact O-N 3.15Å; D41-R116 IonicContact OD1-CZ 3.6Å; D41-R116 IonicContact OD1-NH1 2.7Å; D41-R116 PolarHBondContact OD1-NH1 3.12Å; D41-R116 IonicContact OD2-CZ 3.95Å; D41-R116 IonicContact OD2-NH1 2.98Å; D41-R116 PolarHBondContact OD2-NH1 2.91Å
42	K	48	Very low	57.9	Low	204 Å²	204	126.6 Å²	126.6	89%	0.887	62%	0.615	S	S	*	*	S	Bend	trans	-66.1	19.7	-177.4	-83	-171.7	176.2	-176.8	0	115.4	E40	E40-K42 PolarHBondContact O-N 3.49Å
43	F	46.6	Very low	60.4	Low	136 Å²	136	124.1 Å²	124.1	60%	0.596	60%	0.603	S	S	*	*			trans	-144.2	92.8	168.7	-109.5	-89.1	0	0	0	109.7	D41 R45 R116	D41-F43 PolarHBondContact O-N 3.15Å; F43-R45 HydrophobicContact CD1-CG 3.86Å; F43-R45 PolarHBondContact O-N 3.03Å; F43-R116 PolarHBondContact O-NH1 3.17Å; F43-R116 VanDerWaalsContact O-NH1 3.11Å; F43-R116 PolarHBondContact O-NH2 3.25Å
44	Q	39.5	Very low	63.2	Low	180 Å²	180	121.4 Å²	121.4	84%	0.841	57%	0.574	S	S	*	*			trans	-65.5	77.7	155.6	-76.8	-174.3	-6.6	0	0	108.3	N46	Q44-N46 PolarHBondContact O-N 3.36Å
45	R	51.7	Low	66.2	Low	149 Å²	149	110.8 Å²	110.8	56%	0.562	53%	0.534	S	S	*	.			trans	-75.2	113.7	155.6	-63.5	-171.1	-143.4	-173.1	6	104.8	F43 N47	F43-R45 HydrophobicContact CD1-CG 3.86Å; F43-R45 PolarHBondContact O-N 3.03Å; R45-N47 PolarHBondContact O-N 3.07Å
46	N	56	Low	69	Low	148 Å²	148	99.7 Å²	99.7	79%	0.791	49%	0.492	S	S	*	.	S	Bend	trans	-55.8	-3.8	-174.7	-89.3	-14.7	0	0	0	115.5	Q44	Q44-N46 PolarHBondContact O-N 3.36Å
47	N	80.2	Confident	71.7	Confident	138 Å²	138	92.4 Å²	92.4	74%	0.738	45%	0.454	S	S	*	.	S	Bend	trans	-131.2	110.2	170.2	-70	-36.9	0	0	0	110.5	R45 P49	R45-N47 PolarHBondContact O-N 3.07Å; N47-P49 WeakPolarHBondContact O-CD 3.38Å
48	D	88.6	Confident	74.5	Confident	36 Å²	36	87.6 Å²	87.6	19%	0.193	42%	0.421	C	S	.	.			trans	-71.9	113.8	169.5	-176.6	-6.2	0	0	0	109.2	R50 K51	D48-R50 VanDerWaalsContact CG-NE 3.33Å; D48-R50 PolarHBondContact O-N 3.42Å; D48-R50 VanDerWaalsContact OD1-CB 3.24Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 VanDerWaalsContact OD1-CG 3.3Å; D48-R50 WeakPolarHBondContact OD1-CG 3.46Å; D48-R50 IonicContact OD1-CZ 3.74Å; D48-R50 PolarHBondContact OD1-N 3.47Å; D48-R50 VanDerWaalsContact OD1-N 3.16Å; D48-R50 IonicContact OD1-NE 2.72Å; D48-R50 PolarHBondContact OD1-NE 2.9Å; D48-R50 IonicContact OD1-NH2 3.25Å; D48-R50 IonicContact OD2-CZ 3.72Å; D48-R50 VanDerWaalsContact OD2-CZ 3.25Å; D48-R50 IonicContact OD2-NE 2.88Å; D48-R50 PolarHBondContact OD2-NE 2.88Å; D48-R50 IonicContact OD2-NH2 3.71Å; D48-R50 PolarHBondContact OD2-NH2 3.23Å; D48-K51 HydrophobicContact CB-CD 4.29Å; D48-K51 HydrophobicContact CB-CG 4.2Å; D48-K51 PolarHBondContact O-N 2.95Å
49	P	92	Very high	76.8	Confident	14 Å²	14	80.5 Å²	80.5	9%	0.091	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-58	-23.2	-176	24.3	-36.1	0	0	0	113.3	N47 K51 N52 A119 S123	N47-P49 WeakPolarHBondContact O-CD 3.38Å; P49-K51 VanDerWaalsContact C-N 3.26Å; P49-K51 PolarHBondContact O-N 3.4Å; P49-N52 WeakPolarHBondContact CA-ND2 3.48Å; P49-N52 WeakPolarHBondContact O-CB 3.46Å; P49-N52 PolarHBondContact O-N 2.86Å; P49-N52 PolarHBondContact O-ND2 2.81Å; P49-A119 HydrophobicContact CB-CB 4.34Å; P49-A119 HydrophobicContact CG-CB 4.04Å; P49-S123 VanDerWaalsContact CB-OG 3.22Å; P49-S123 WeakPolarHBondContact CB-OG 3.32Å; P49-S123 PolarHBondContact O-OG 3.29Å
50	R	93.7	Very high	79.3	Confident	47 Å²	47	75.7 Å²	75.7	18%	0.177	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-66.9	-25.1	178.3	-64	-177.9	-65.3	-175.3	1.1	113.5	D48 N52 N112 A119 I153 F154 V155	D48-R50 VanDerWaalsContact CG-NE 3.33Å; D48-R50 PolarHBondContact O-N 3.42Å; D48-R50 VanDerWaalsContact OD1-CB 3.24Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 VanDerWaalsContact OD1-CG 3.3Å; D48-R50 WeakPolarHBondContact OD1-CG 3.46Å; D48-R50 IonicContact OD1-CZ 3.74Å; D48-R50 PolarHBondContact OD1-N 3.47Å; D48-R50 VanDerWaalsContact OD1-N 3.16Å; D48-R50 IonicContact OD1-NE 2.72Å; D48-R50 PolarHBondContact OD1-NE 2.9Å; D48-R50 IonicContact OD1-NH2 3.25Å; D48-R50 IonicContact OD2-CZ 3.72Å; D48-R50 VanDerWaalsContact OD2-CZ 3.25Å; D48-R50 IonicContact OD2-NE 2.88Å; D48-R50 PolarHBondContact OD2-NE 2.88Å; D48-R50 IonicContact OD2-NH2 3.71Å; D48-R50 PolarHBondContact OD2-NH2 3.23Å; R50-N52 VanDerWaalsContact C-N 3.29Å; R50-N112 PolarHBondContact NH1-OD1 3.04Å; R50-A119 HydrophobicContact CG-CB 3.53Å; R50-I153 WeakPolarHBondContact CA-O 3.25Å; R50-I153 WeakPolarHBondContact CB-O 3.41Å; R50-I153 WeakPolarHBondContact CG-O 3.45Å; R50-F154 CarbonylContact O-C 3.59Å; R50-F154 WeakPolarHBondContact O-CA 3.06Å; R50-V155 PolarHBondContact O-N 3.2Å; R50-V155 VanDerWaalsContact O-N 3.1Å
51	K	95	Very high	81.6	Confident	134 Å²	134	68.2 Å²	68.2	58%	0.583	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-86.2	-0.6	179	-64	-174.1	179.7	-178.1	0	112.9	D48 P49 V155 N156	D48-K51 HydrophobicContact CB-CD 4.29Å; D48-K51 HydrophobicContact CB-CG 4.2Å; D48-K51 PolarHBondContact O-N 2.95Å; P49-K51 VanDerWaalsContact C-N 3.26Å; P49-K51 PolarHBondContact O-N 3.4Å; K51-V155 HydrophobicContact CG-CG2 4.31Å; K51-N156 PolarHBondContact O-ND2 3.02Å
52	N	93.8	Very high	83.9	Confident	49 Å²	49	64.5 Å²	64.5	26%	0.262	30%	0.303	S	S	.	.			trans	-63.5	138.2	174.5	-74.9	-43.3	0	0	0	111.1	P49 R50 F54 S123	P49-N52 WeakPolarHBondContact CA-ND2 3.48Å; P49-N52 WeakPolarHBondContact O-CB 3.46Å; P49-N52 PolarHBondContact O-N 2.86Å; P49-N52 PolarHBondContact O-ND2 2.81Å; R50-N52 VanDerWaalsContact C-N 3.29Å; N52-F54 HydrophobicContact CB-CD1 4.02Å; N52-F54 HydrophobicContact CB-CD2 3.81Å; N52-F54 HydrophobicContact CB-CE1 3.72Å; N52-F54 HydrophobicContact CB-CE2 3.52Å; N52-F54 HydrophobicContact CB-CG 4.06Å; N52-F54 HydrophobicContact CB-CZ 3.47Å; N52-F54 VanDerWaalsContact CB-CZ 3.47Å; N52-F54 PolarHBondContact O-N 3.47Å; N52-S123 PolarHBondContact ND2-OG 2.95Å; N52-S123 VanDerWaalsContact ND2-OG 3.12Å
53	N	95.9	Very high	86.3	Confident	82 Å²	82	54.8 Å²	54.8	44%	0.439	26%	0.261	S	S	.	.			trans	-82	36.9	-172.4	-100.9	-5.3	0	0	0	112.1	R135 N156	N53-R135 WeakPolarHBondContact O-CD 3.16Å; N53-R135 PolarHBondContact O-NH1 2.99Å; N53-N156 WeakPolarHBondContact OD1-CB 3.28Å
54	F	98.1	Very high	88.7	Confident	6 Å²	6	49 Å²	49	3%	0.026	24%	0.239	C	C	.	.			trans	-66.3	154.8	-170.2	-62.2	-38.6	0	0	0	114.2	N52 F56 S123 I126 I127 L136 F154 A157 K158	N52-F54 HydrophobicContact CB-CD1 4.02Å; N52-F54 HydrophobicContact CB-CD2 3.81Å; N52-F54 HydrophobicContact CB-CE1 3.72Å; N52-F54 HydrophobicContact CB-CE2 3.52Å; N52-F54 HydrophobicContact CB-CG 4.06Å; N52-F54 HydrophobicContact CB-CZ 3.47Å; N52-F54 VanDerWaalsContact CB-CZ 3.47Å; N52-F54 PolarHBondContact O-N 3.47Å; F54-F56 HydrophobicContact CB-CD2 4.2Å; F54-F56 HydrophobicContact CB-CE2 3.7Å; F54-F56 HydrophobicContact CB-CZ 4.4Å; F54-F56 HydrophobicContact CD2-CE2 4.23Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 HydrophobicContact CG-CE2 4.47Å; F54-S123 VanDerWaalsContact CE2-OG 3.28Å; F54-S123 WeakPolarHBondContact CE2-OG 3.3Å; F54-I126 HydrophobicContact CD1-CG2 3.85Å; F54-I126 HydrophobicContact CD2-CD1 3.78Å; F54-I126 HydrophobicContact CE1-CB 4.38Å; F54-I126 HydrophobicContact CE1-CG2 3.65Å; F54-I126 HydrophobicContact CE2-CB 4.49Å; F54-I126 HydrophobicContact CE2-CD1 3.86Å; F54-I126 HydrophobicContact CE2-CG2 4.46Å; F54-I126 HydrophobicContact CG-CD1 4.23Å; F54-I126 HydrophobicContact CG-CG2 4.36Å; F54-I126 HydrophobicContact CZ-CB 4.2Å; F54-I126 HydrophobicContact CZ-CD1 4.39Å; F54-I126 HydrophobicContact CZ-CG2 3.98Å; F54-I127 HydrophobicContact CZ-CG1 4.38Å; F54-L136 WeakPolarHBondContact CA-O 3.31Å; F54-L136 HydrophobicContact CD1-CB 3.9Å; F54-L136 HydrophobicContact CE1-CB 4Å; F54-L136 HydrophobicContact CE1-CD1 4.21Å; F54-F154 AromaticContact CD2-CD1 3.98Å; F54-F154 HydrophobicContact CD2-CD1 3.98Å; F54-F154 AromaticContact CD2-CE1 3.83Å; F54-F154 HydrophobicContact CD2-CE1 3.83Å; F54-F154 HydrophobicContact CD2-CZ 4.42Å; F54-F154 HydrophobicContact CE2-CD1 4.32Å; F54-F154 AromaticContact CE2-CE1 3.77Å; F54-F154 HydrophobicContact CE2-CE1 3.77Å; F54-F154 HydrophobicContact CE2-CZ 4.38Å; F54-A157 HydrophobicContact CB-CB 4.38Å; F54-A157 WeakPolarHBondContact O-CA 3.13Å; F54-A157 WeakPolarHBondContact O-CB 3.27Å; F54-K158 PolarHBondContact O-N 2.86Å
55	I	98.7	Very high	91.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.4	166.2	-56.6	172.8	0	0	0	108.3	I57 L72 I78 R135 L136 C137 H138 K158 I160 L236 I238	I55-I57 HydrophobicContact CG2-CG1 4.29Å; I55-L72 HydrophobicContact CD1-CD1 4.26Å; I55-L72 HydrophobicContact CG2-CD1 3.97Å; I55-I78 HydrophobicContact CD1-CD1 4.3Å; I55-I78 HydrophobicContact CD1-CG2 4.3Å; I55-R135 HydrophobicContact CD1-CG 3.4Å; I55-R135 HydrophobicContact CG1-CG 3.69Å; I55-L136 PolarHBondContact N-O 3.32Å; I55-C137 HydrophobicContact CB-CB 4.02Å; I55-C137 CarbonylContact O-C 3.48Å; I55-C137 WeakPolarHBondContact O-CA 3.25Å; I55-H138 PolarHBondContact O-N 2.78Å; I55-K158 CarbonylContact C-O 3.5Å; I55-K158 WeakPolarHBondContact CA-O 3.49Å; I55-I160 HydrophobicContact CG2-CD1 4.01Å; I55-L236 HydrophobicContact CD1-CD1 3.67Å; I55-L236 HydrophobicContact CD1-CD2 3.69Å; I55-L236 HydrophobicContact CD1-CG 4.22Å; I55-L236 HydrophobicContact CG1-CD2 3.76Å; I55-L236 HydrophobicContact CG2-CD2 4.12Å; I55-I238 HydrophobicContact CD1-CD1 4.42Å
56	F	98.8	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.4	171.4	-73.5	-93.6	0	0	0	109.8	F54 F122 I126 H138 F144 F154 A157 K158 F159 I160	F54-F56 HydrophobicContact CB-CD2 4.2Å; F54-F56 HydrophobicContact CB-CE2 3.7Å; F54-F56 HydrophobicContact CB-CZ 4.4Å; F54-F56 HydrophobicContact CD2-CE2 4.23Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 HydrophobicContact CG-CE2 4.47Å; F56-F122 HydrophobicContact CE1-CD1 4.02Å; F56-F122 HydrophobicContact CE1-CE1 4.21Å; F56-F122 HydrophobicContact CZ-CD1 4.43Å; F56-I126 HydrophobicContact CE1-CD1 4.14Å; F56-I126 HydrophobicContact CZ-CD1 3.93Å; F56-H138 CarbonylContact C-O 3.54Å; F56-H138 WeakPolarHBondContact CA-O 3.45Å; F56-H138 HydrophobicContact CD1-CB 3.68Å; F56-H138 AromaticContact CD1-CG 3.72Å; F56-H138 AromaticContact CD1-ND1 3.52Å; F56-H138 HydrophobicContact CE1-CB 3.77Å; F56-H138 AromaticContact CE1-CG 3.72Å; F56-H138 AromaticContact CE1-ND1 3.86Å; F56-H138 HydrophobicContact CG-CB 4.39Å; F56-F144 HydrophobicContact CB-CE2 3.96Å; F56-F144 HydrophobicContact CB-CZ 4.36Å; F56-F144 WeakPolarHBondContact O-CZ 3.42Å; F56-F154 HydrophobicContact CE1-CE2 4.45Å; F56-F154 HydrophobicContact CE2-CB 4.24Å; F56-F154 AromaticContact CE2-CD2 3.75Å; F56-F154 HydrophobicContact CE2-CD2 3.75Å; F56-F154 HydrophobicContact CE2-CE2 4.29Å; F56-F154 AromaticContact CE2-CG 3.96Å; F56-F154 HydrophobicContact CE2-CG 3.96Å; F56-F154 AromaticContact CZ-CD2 3.5Å; F56-F154 HydrophobicContact CZ-CD2 3.5Å; F56-F154 VanDerWaalsContact CZ-CD2 3.5Å; F56-F154 AromaticContact CZ-CE2 3.59Å; F56-F154 HydrophobicContact CZ-CE2 3.59Å; F56-F154 HydrophobicContact CZ-CG 4.1Å; F56-F154 HydrophobicContact CZ-CZ 4.26Å; F56-A157 HydrophobicContact CD2-CB 3.83Å; F56-A157 HydrophobicContact CE2-CB 3.79Å; F56-K158 PolarHBondContact N-O 3.14Å; F56-F159 HydrophobicContact CB-CD1 3.51Å; F56-F159 HydrophobicContact CB-CE1 3.82Å; F56-F159 HydrophobicContact CB-CG 4.47Å; F56-F159 HydrophobicContact CD2-CD1 4.2Å; F56-F159 AromaticContact CD2-CE1 3.69Å; F56-F159 HydrophobicContact CD2-CE1 3.69Å; F56-F159 HydrophobicContact CD2-CZ 4.29Å; F56-F159 HydrophobicContact CE2-CE1 4.44Å; F56-F159 HydrophobicContact CG-CD1 4.07Å; F56-F159 AromaticContact CG-CE1 3.83Å; F56-F159 HydrophobicContact CG-CE1 3.83Å; F56-F159 CarbonylContact O-C 3.53Å; F56-F159 WeakPolarHBondContact O-CA 3.45Å; F56-I160 PolarHBondContact O-N 3.44Å
57	I	98.8	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.6	175.2	-55.2	168.2	0	0	0	108.4	I55 M68 R69 L72 C137 H138 K139 Q140 F144 I160 M162	I55-I57 HydrophobicContact CG2-CG1 4.29Å; I57-M68 HydrophobicContact CD1-CG 4.08Å; I57-M68 HydrophobicContact CG1-CG 4.4Å; I57-M68 HydrophobicContact CG2-CB 4.12Å; I57-M68 HydrophobicContact CG2-CG 3.87Å; I57-R69 VanDerWaalsContact CD1-CA 3.49Å; I57-R69 HydrophobicContact CD1-CB 3.77Å; I57-L72 HydrophobicContact CD1-CD1 3.82Å; I57-L72 HydrophobicContact CD1-CG 4.46Å; I57-L72 HydrophobicContact CG1-CD1 4.42Å; I57-C137 VanDerWaalsContact CD1-SG 3.54Å; I57-H138 PolarHBondContact N-O 2.94Å; I57-K139 HydrophobicContact CB-CB 3.98Å; I57-K139 HydrophobicContact CB-CG 3.89Å; I57-K139 HydrophobicContact CD1-CB 4.4Å; I57-K139 HydrophobicContact CG2-CG 3.94Å; I57-K139 WeakPolarHBondContact O-CA 3.22Å; I57-Q140 PolarHBondContact O-N 3.29Å; I57-F144 VanDerWaalsContact C-CE2 3.43Å; I57-I160 WeakPolarHBondContact CA-O 2.98Å; I57-I160 HydrophobicContact CG1-CB 4.4Å; I57-M162 HydrophobicContact CG2-CG 4.38Å
58	G	98.5	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-160	175.4	0	0	0	0	0	112.7	T65 F144 I160 M162	G58-T65 WeakPolarHBondContact O-CG2 3.43Å; G58-F144 VanDerWaalsContact CA-CD2 3.41Å; G58-F144 VanDerWaalsContact N-CZ 3.31Å; G58-I160 PolarHBondContact N-O 3.06Å; G58-I160 VanDerWaalsContact N-O 3.13Å; G58-M162 PolarHBondContact O-N 3.36Å
59	G	98.1	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.3	-166.7	-167.9	0	0	0	0	0	110	P141 M201	G59-P141 PolarHBondContact N-O 2.81Å; G59-P141 CarbonylContact O-C 3.55Å; G59-P141 WeakPolarHBondContact O-CA 3.35Å; G59-P141 VanDerWaalsContact O-CB 3.29Å; G59-P141 WeakPolarHBondContact O-CB 3.5Å; G59-M201 VanDerWaalsContact C-SD 3.56Å
60	H	97.5	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-71.5	148.2	172.6	-161.5	-73.3	0	0	0	110.6	S63 V169 Y182 W194	H60-S63 WeakPolarHBondContact O-CB 3.49Å; H60-S63 PolarHBondContact O-N 3.4Å; H60-S63 PolarHBondContact O-OG 3.05Å; H60-V169 WeakPolarHBondContact ND1-CG1 3.23Å; H60-Y182 AromaticContact CE1-CE2 3.66Å; H60-Y182 AromaticContact CE1-CZ 3.89Å; H60-Y182 PolarHBondContact CE1-OH 3.27Å; H60-Y182 AromaticContact NE2-CZ 3.79Å; H60-Y182 PolarHBondContact NE2-OH 2.8Å; H60-W194 AromaticContact CD2-CD1 3.53Å; H60-W194 AromaticContact CG-CD1 3.54Å; H60-W194 AromaticContact ND1-CD1 3.93Å; H60-W194 AromaticContact NE2-CD1 3.94Å
61	E	95.8	Very high	97.5	Very high	20 Å²	20	16.5 Å²	16.5	9%	0.093	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	154.5	169	77.5	-143.5	135.9	0	0	110.9	S63 F142 V169 V178 N179	E61-S63 PolarHBondContact O-N 2.98Å; E61-S63 VanDerWaalsContact O-N 3.15Å; E61-F142 HydrophobicContact CB-CE2 4.3Å; E61-F142 HydrophobicContact CG-CZ 4.47Å; E61-F142 WeakPolarHBondContact OE1-CZ 3.43Å; E61-F142 WeakPolarHBondContact OE2-CE2 3.33Å; E61-V169 WeakPolarHBondContact O-CG1 3.5Å; E61-V178 HydrophobicContact CB-CG1 4.1Å; E61-V178 HydrophobicContact CG-CG1 3.85Å; E61-V178 WeakPolarHBondContact OE2-CG1 3.27Å; E61-N179 VanDerWaalsContact OE1-CB 3.29Å; E61-N179 WeakPolarHBondContact OE1-CB 3.25Å; E61-N179 PolarHBondContact OE1-ND2 2.79Å
62	S	97.1	Very high	97.6	Very high	10 Å²	10	10.2 Å²	10.2	7%	0.07	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	6.4	-175.7	-54.8	0	0	0	0	116.3	G64 R164 S173 R176	S62-G64 PolarHBondContact O-N 3.45Å; S62-R164 VanDerWaalsContact O-CD 3.26Å; S62-R164 WeakPolarHBondContact O-CD 3.39Å; S62-R164 PolarHBondContact O-NH1 3.11Å; S62-S173 WeakPolarHBondContact CB-OG 3.16Å; S62-S173 PolarHBondContact OG-OG 2.89Å; S62-R176 PolarHBondContact OG-NH2 2.7Å
63	S	98	Very high	97.7	Very high	1 Å²	1	8 Å²	8	1%	0.007	5%	0.047	C	C	.	.	S	Bend	trans	-88.7	12.2	176.7	-54.1	0	0	0	0	115.2	H60 E61	H60-S63 WeakPolarHBondContact O-CB 3.49Å; H60-S63 PolarHBondContact O-N 3.4Å; H60-S63 PolarHBondContact O-OG 3.05Å; E61-S63 PolarHBondContact O-N 2.98Å; E61-S63 VanDerWaalsContact O-N 3.15Å
64	G	97.5	Very high	97.8	Very high	13 Å²	13	4.2 Å²	4.2	13%	0.134	3%	0.026	C	C	.	.	S	Bend	trans	87.1	10.7	179	0	0	0	0	0	115.7	S62 G66 L67 M68	S62-G64 PolarHBondContact O-N 3.45Å; G64-G66 PolarHBondContact O-N 2.83Å; G64-L67 PolarHBondContact O-N 3.45Å; G64-M68 PolarHBondContact O-N 2.88Å
65	T	97.9	Very high	97.8	Very high	7 Å²	7	4.4 Å²	4.4	4%	0.043	3%	0.027	C	C	.	.	H	α-helix	trans	-53.9	-38	173.7	54.6	0	0	0	0	113.1	G58 M68 R69 P141 M162	G58-T65 WeakPolarHBondContact O-CG2 3.43Å; T65-M68 PolarHBondContact O-N 3.32Å; T65-R69 PolarHBondContact O-N 3.4Å; T65-P141 HydrophobicContact CG2-CG 4.4Å; T65-M162 HydrophobicContact CG2-CB 3.82Å; T65-M162 HydrophobicContact CG2-CG 3.94Å
66	G	97.1	Very high	97.7	Very high	3 Å²	3	9 Å²	9	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-41.9	174.4	0	0	0	0	0	113.1	G64 R69 I70	G64-G66 PolarHBondContact O-N 2.83Å; G66-R69 WeakPolarHBondContact O-CG 3.35Å; G66-I70 WeakPolarHBondContact O-CG1 3.47Å; G66-I70 PolarHBondContact O-N 3.13Å
67	L	97.8	Very high	97.6	Very high	19 Å²	19	10.3 Å²	10.3	10%	0.099	7%	0.066	C	C	.	.	H	α-helix	trans	-69.7	-46.2	175.7	178.1	62.1	0	0	0	110.5	G64 R69 I70 L71 Y218 L221 I222 I271	G64-L67 PolarHBondContact O-N 3.45Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.07Å; L67-I70 PolarHBondContact O-N 3.36Å; L67-L71 HydrophobicContact CD1-CD1 4.49Å; L67-L71 HydrophobicContact CD1-CD2 4.25Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 4.18Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 WeakPolarHBondContact O-CG 3.5Å; L67-L71 PolarHBondContact O-N 3.05Å; L67-Y218 HydrophobicContact CD2-CE2 4.36Å; L67-L221 HydrophobicContact CD2-CD2 4.49Å; L67-I222 HydrophobicContact CD2-CD1 3.54Å; L67-I271 HydrophobicContact CD1-CG1 4.46Å
68	M	98.5	Very high	97.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-53.8	-46	178.5	-178.6	55.7	73.9	0	0	111.8	I57 G64 T65 I70 L71 L72 I160 M162 I216 L221 I232	I57-M68 HydrophobicContact CD1-CG 4.08Å; I57-M68 HydrophobicContact CG1-CG 4.4Å; I57-M68 HydrophobicContact CG2-CB 4.12Å; I57-M68 HydrophobicContact CG2-CG 3.87Å; G64-M68 PolarHBondContact O-N 2.88Å; T65-M68 PolarHBondContact O-N 3.32Å; M68-I70 VanDerWaalsContact C-N 3.31Å; M68-I70 PolarHBondContact O-N 3.08Å; M68-L71 PolarHBondContact O-N 3.29Å; M68-L72 PolarHBondContact O-N 2.98Å; M68-I160 HydrophobicContact CE-CG2 4.1Å; M68-I160 HydrophobicContact CG-CG2 3.97Å; M68-I160 HydrophobicContact SD-CG2 4.18Å; M68-M162 HydrophobicContact CB-CE 4.42Å; M68-M162 HydrophobicContact CB-CG 4.1Å; M68-M162 HydrophobicContact CB-SD 3.82Å; M68-M162 HydrophobicContact CE-CE 3.96Å; M68-M162 HydrophobicContact CE-SD 3.31Å; M68-M162 WeakPolarHBondContact CE-SD 3.45Å; M68-M162 HydrophobicContact CG-CG 4.35Å; M68-M162 HydrophobicContact CG-SD 3.83Å; M68-M162 HydrophobicContact SD-SD 4.44Å; M68-I216 HydrophobicContact CE-CB 4.28Å; M68-I216 HydrophobicContact CE-CG1 4.28Å; M68-I216 HydrophobicContact CE-CG2 4.01Å; M68-L221 HydrophobicContact CE-CD1 4.35Å; M68-L221 HydrophobicContact CE-CD2 3.75Å; M68-I232 HydrophobicContact CE-CD1 3.37Å; M68-I232 HydrophobicContact CE-CG1 4.46Å; M68-I232 HydrophobicContact SD-CD1 3.87Å
69	R	97.8	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-41	176.9	71.4	129.5	179.4	153	-6.4	112.4	I57 T65 G66 L67 L72 D73 C80 G81 K139 S256 E261	I57-R69 VanDerWaalsContact CD1-CA 3.49Å; I57-R69 HydrophobicContact CD1-CB 3.77Å; T65-R69 PolarHBondContact O-N 3.4Å; G66-R69 WeakPolarHBondContact O-CG 3.35Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.07Å; R69-L72 PolarHBondContact O-N 2.93Å; R69-D73 IonicContact NH1-OD2 3.12Å; R69-D73 WeakPolarHBondContact O-CB 3.13Å; R69-D73 PolarHBondContact O-N 3.12Å; R69-C80 HydrophobicContact CB-CB 4.12Å; R69-G81 VanDerWaalsContact CD-O 3.27Å; R69-G81 WeakPolarHBondContact CD-O 3.35Å; R69-G81 VanDerWaalsContact NH1-C 3.3Å; R69-G81 PolarHBondContact NH1-O 3.43Å; R69-K139 HydrophobicContact CB-CB 3.85Å; R69-K139 HydrophobicContact CB-CG 3.91Å; R69-K139 HydrophobicContact CG-CB 4.37Å; R69-K139 HydrophobicContact CG-CD 4.35Å; R69-K139 HydrophobicContact CG-CG 4.19Å; R69-S256 PolarHBondContact NH1-O 3.34Å; R69-E261 IonicContact CZ-OE2 2.92Å; R69-E261 IonicContact NE-OE2 3.16Å; R69-E261 IonicContact NH2-OE1 3.4Å; R69-E261 IonicContact NH2-OE2 3.79Å; R69-E261 PolarHBondContact NH2-OE2 2.92Å
70	I	97.8	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.8	-40	-177.5	-68.4	-59	0	0	0	110.7	G66 L67 M68 L72 D73 V74 H247 I251 S255 L257 V267	G66-I70 WeakPolarHBondContact O-CG1 3.47Å; G66-I70 PolarHBondContact O-N 3.13Å; L67-I70 PolarHBondContact O-N 3.36Å; M68-I70 VanDerWaalsContact C-N 3.31Å; M68-I70 PolarHBondContact O-N 3.08Å; I70-L72 PolarHBondContact O-N 3.49Å; I70-D73 PolarHBondContact O-N 3.43Å; I70-V74 HydrophobicContact CG2-CG1 4.36Å; I70-V74 WeakPolarHBondContact O-CG1 3.39Å; I70-V74 WeakPolarHBondContact O-CG2 3.26Å; I70-V74 PolarHBondContact O-N 2.83Å; I70-H247 HydrophobicContact CG2-CB 4.26Å; I70-I251 HydrophobicContact CD1-CD1 4Å; I70-I251 HydrophobicContact CD1-CG1 4.29Å; I70-I251 HydrophobicContact CG1-CD1 4.19Å; I70-I251 HydrophobicContact CG2-CD1 3.61Å; I70-I251 HydrophobicContact CG2-CG1 4.06Å; I70-S255 WeakPolarHBondContact CD1-OG 3.4Å; I70-L257 HydrophobicContact CD1-CD2 3.84Å; I70-V267 HydrophobicContact CG1-CB 3.95Å; I70-V267 HydrophobicContact CG1-CG1 4.35Å; I70-V267 HydrophobicContact CG1-CG2 3.97Å
71	L	98.1	Very high	97.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-32.5	175.2	-64.5	-178.5	0	0	0	112.2	L67 M68 L221 T229 I244 H247 I271	L67-L71 HydrophobicContact CD1-CD1 4.49Å; L67-L71 HydrophobicContact CD1-CD2 4.25Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 4.18Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 WeakPolarHBondContact O-CG 3.5Å; L67-L71 PolarHBondContact O-N 3.05Å; M68-L71 PolarHBondContact O-N 3.29Å; L71-L221 HydrophobicContact CD1-CD1 4.01Å; L71-L221 HydrophobicContact CD1-CD2 4.14Å; L71-L221 HydrophobicContact CD1-CG 4.36Å; L71-T229 HydrophobicContact CD1-CG2 4.24Å; L71-I244 HydrophobicContact CB-CG2 3.92Å; L71-I244 HydrophobicContact CD2-CG2 3.96Å; L71-I244 WeakPolarHBondContact CD2-O 3.3Å; L71-I244 HydrophobicContact CG-CG2 4.39Å; L71-H247 HydrophobicContact CD2-CB 4.22Å; L71-I271 HydrophobicContact CD2-CD1 4.01Å
72	L	98.2	Very high	97.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-78.3	-45	170.9	-59.2	-166.6	0	0	0	112.3	I55 I57 M68 R69 I70 V74 H75 I78 I160 I232 F233 L236	I55-L72 HydrophobicContact CD1-CD1 4.26Å; I55-L72 HydrophobicContact CG2-CD1 3.97Å; I57-L72 HydrophobicContact CD1-CD1 3.82Å; I57-L72 HydrophobicContact CD1-CG 4.46Å; I57-L72 HydrophobicContact CG1-CD1 4.42Å; M68-L72 PolarHBondContact O-N 2.98Å; R69-L72 PolarHBondContact O-N 2.93Å; I70-L72 PolarHBondContact O-N 3.49Å; L72-V74 PolarHBondContact O-N 2.76Å; L72-H75 WeakPolarHBondContact O-CB 3.21Å; L72-H75 PolarHBondContact O-N 3.47Å; L72-I78 HydrophobicContact CB-CD1 4.27Å; L72-I78 HydrophobicContact CB-CG2 4.02Å; L72-I78 HydrophobicContact CD2-CD1 4.34Å; L72-I78 WeakPolarHBondContact O-CB 3.37Å; L72-I160 HydrophobicContact CD1-CD1 3.87Å; L72-I232 HydrophobicContact CD2-CG2 4.08Å; L72-F233 HydrophobicContact CD2-CD2 4.43Å; L72-F233 HydrophobicContact CD2-CE2 3.56Å; L72-F233 HydrophobicContact CD2-CZ 3.74Å; L72-L236 HydrophobicContact CD1-CD1 4.13Å; L72-L236 HydrophobicContact CD2-CD1 4.01Å
73	D	96.5	Very high	97.2	Very high	4 Å²	4	14 Å²	14	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-21.9	-173.2	-150.6	36.4	0	0	0	113.4	R69 I70 H75 R79 C80 G81 I254 S255	R69-D73 IonicContact NH1-OD2 3.12Å; R69-D73 WeakPolarHBondContact O-CB 3.13Å; R69-D73 PolarHBondContact O-N 3.12Å; I70-D73 PolarHBondContact O-N 3.43Å; D73-H75 VanDerWaalsContact C-N 3.33Å; D73-R79 WeakPolarHBondContact OD1-CA 3.33Å; D73-C80 HydrophobicContact CB-CB 4.3Å; D73-C80 PolarHBondContact OD1-N 3.24Å; D73-G81 PolarHBondContact OD1-N 2.91Å; D73-G81 PolarHBondContact OD2-N 2.95Å; D73-I254 WeakPolarHBondContact O-CG2 3.47Å; D73-S255 VanDerWaalsContact OD2-CB 3.26Å; D73-S255 WeakPolarHBondContact OD2-CB 3.38Å; D73-S255 PolarHBondContact OD2-OG 3.03Å
74	V	97.2	Very high	97.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.8	173.7	-62.1	0	0	0	0	113.6	I70 L72 I243 H247 V250	I70-V74 HydrophobicContact CG2-CG1 4.36Å; I70-V74 WeakPolarHBondContact O-CG1 3.39Å; I70-V74 WeakPolarHBondContact O-CG2 3.26Å; I70-V74 PolarHBondContact O-N 2.83Å; L72-V74 PolarHBondContact O-N 2.76Å; V74-I243 HydrophobicContact CG2-CG2 4.49Å; V74-I243 WeakPolarHBondContact O-CG2 3.19Å; V74-H247 HydrophobicContact CG1-CB 3.96Å; V74-H247 HydrophobicContact CG2-CB 3.94Å; V74-V250 HydrophobicContact CB-CG2 4.06Å; V74-V250 HydrophobicContact CG1-CG2 3.97Å
75	H	98.1	Very high	96.9	Very high	11 Å²	11	19.7 Å²	19.7	5%	0.051	11%	0.112	C	C	.	.	S	Bend	trans	-76.5	135.5	177.6	-176.1	-82.6	0	0	0	110.7	L72 D73 S77 I78 F233 P239 D241	L72-H75 WeakPolarHBondContact O-CB 3.21Å; L72-H75 PolarHBondContact O-N 3.47Å; D73-H75 VanDerWaalsContact C-N 3.33Å; H75-S77 VanDerWaalsContact C-N 3.25Å; H75-S77 PolarHBondContact ND1-N 3.4Å; H75-S77 PolarHBondContact O-N 3.14Å; H75-I78 HydrophobicContact CB-CB 4.41Å; H75-I78 HydrophobicContact CB-CD1 4.21Å; H75-I78 HydrophobicContact CB-CG1 4.33Å; H75-I78 PolarHBondContact O-N 3.27Å; H75-F233 HydrophobicContact CB-CE1 4.01Å; H75-F233 HydrophobicContact CB-CZ 3.96Å; H75-F233 AromaticContact CD2-CE1 3.3Å; H75-F233 WeakPolarHBondContact CD2-CE1 3.16Å; H75-F233 AromaticContact CD2-CZ 3.9Å; H75-F233 AromaticContact CG-CE1 3.57Å; H75-F233 AromaticContact NE2-CE1 3.87Å; H75-P239 PolarHBondContact NE2-O 2.86Å; H75-D241 VanDerWaalsContact CD2-CB 3.45Å; H75-D241 WeakPolarHBondContact CD2-CB 3.4Å
76	P	96.2	Very high	96.8	Very high	97 Å²	97	23.4 Å²	23.4	63%	0.63	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.5	-174.1	-27.7	35	0	0	0	115.8
77	S	97	Very high	96.8	Very high	27 Å²	27	23.3 Å²	23.3	19%	0.189	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.2	179.9	-63.8	0	0	0	0	115.5	H75 E134 R135	H75-S77 VanDerWaalsContact C-N 3.25Å; H75-S77 PolarHBondContact ND1-N 3.4Å; H75-S77 PolarHBondContact O-N 3.14Å; S77-E134 VanDerWaalsContact CB-OE2 3.27Å; S77-E134 WeakPolarHBondContact CB-OE2 3.22Å; S77-E134 PolarHBondContact O-N 3.11Å; S77-E134 PolarHBondContact OG-OE2 3.38Å; S77-R135 PolarHBondContact O-N 2.88Å
78	I	98	Very high	96.8	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.6	-170.9	-52.6	173.3	0	0	0	111.4	I55 L72 H75 R135 C137 F233 L236 I238	I55-I78 HydrophobicContact CD1-CD1 4.3Å; I55-I78 HydrophobicContact CD1-CG2 4.3Å; L72-I78 HydrophobicContact CB-CD1 4.27Å; L72-I78 HydrophobicContact CB-CG2 4.02Å; L72-I78 HydrophobicContact CD2-CD1 4.34Å; L72-I78 WeakPolarHBondContact O-CB 3.37Å; H75-I78 HydrophobicContact CB-CB 4.41Å; H75-I78 HydrophobicContact CB-CD1 4.21Å; H75-I78 HydrophobicContact CB-CG1 4.33Å; H75-I78 PolarHBondContact O-N 3.27Å; I78-R135 VanDerWaalsContact CA-O 3.31Å; I78-R135 WeakPolarHBondContact CA-O 3.25Å; I78-R135 HydrophobicContact CG1-CB 4.16Å; I78-C137 HydrophobicContact CG2-CB 4.23Å; I78-F233 HydrophobicContact CD1-CE1 3.71Å; I78-F233 HydrophobicContact CD1-CZ 3.96Å; I78-L236 HydrophobicContact CD1-CD1 4.49Å; I78-I238 HydrophobicContact CD1-CD1 3.68Å; I78-I238 HydrophobicContact CD1-CG2 4.49Å; I78-I238 HydrophobicContact CG1-CD1 3.79Å
79	R	97.2	Very high	96.6	Very high	20 Å²	20	26.4 Å²	26.4	8%	0.075	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.8	168.2	-173.3	-82.5	-60.1	143.3	-9.8	111.8	D73 I126 I127 Q131 A133 R135 L136 C137	D73-R79 WeakPolarHBondContact OD1-CA 3.33Å; R79-I126 PolarHBondContact NH1-O 3.01Å; R79-I126 PolarHBondContact NH2-O 2.95Å; R79-I127 PolarHBondContact NH2-O 2.81Å; R79-I127 VanDerWaalsContact NH2-O 3.16Å; R79-Q131 PolarHBondContact NE-O 3.14Å; R79-Q131 PolarHBondContact NH2-O 2.79Å; R79-A133 HydrophobicContact CB-CB 3.62Å; R79-R135 PolarHBondContact N-O 3.23Å; R79-L136 HydrophobicContact CB-CD2 4.44Å; R79-L136 VanDerWaalsContact NH2-CD2 3.26Å; R79-L136 WeakPolarHBondContact O-CA 3.4Å; R79-C137 PolarHBondContact O-N 3.5Å
80	C	97.1	Very high	96.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	16%	0.16	C	C	.	.			trans	-92.9	-56.8	169.8	-65.1	0	0	0	0	111.9	R69 D73 C137	R69-C80 HydrophobicContact CB-CB 4.12Å; D73-C80 HydrophobicContact CB-CB 4.3Å; D73-C80 PolarHBondContact OD1-N 3.24Å; C80-C137 WeakPolarHBondContact CA-O 3.32Å; C80-C137 HydrophobicContact CB-CB 3.66Å; C80-C137 WeakPolarHBondContact CB-SG 3.41Å; C80-C137 WeakPolarHBondContact SG-CB 3.41Å; C80-C137 CovalentContact SG-SG 2.04Å; C80-C137 PolarHBondContact SG-SG 2.79Å
81	G	94.3	Very high	96.5	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	16%	0.16	C	C	.	.			trans	73.4	-170.8	-169.3	0	0	0	0	0	114.9	R69 D73	R69-G81 VanDerWaalsContact CD-O 3.27Å; R69-G81 WeakPolarHBondContact CD-O 3.35Å; R69-G81 VanDerWaalsContact NH1-C 3.3Å; R69-G81 PolarHBondContact NH1-O 3.43Å; D73-G81 PolarHBondContact OD1-N 2.91Å; D73-G81 PolarHBondContact OD2-N 2.95Å
82	P	95.5	Very high	96.4	Very high	28 Å²	28	35.5 Å²	35.5	18%	0.182	19%	0.189	C	C	.	.	S	Bend	trans	-67.1	177.8	-179.8	-20.8	34.5	0	0	0	114.1	P84 M129 E261	P82-P84 VanDerWaalsContact O-CD 3.22Å; P82-P84 WeakPolarHBondContact O-CD 3.46Å; P82-M129 WeakPolarHBondContact O-CE 3.37Å; P82-E261 WeakPolarHBondContact CA-OE1 3.29Å; P82-E261 VanDerWaalsContact CB-OE1 3.28Å; P82-E261 WeakPolarHBondContact CB-OE1 3.24Å
83	E	96.3	Very high	96.2	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.234	21%	0.209	C	C	.	.			trans	-71	118.1	175.5	-65.6	-166.5	-176.6	0	0	113.2	I85 K139 Q140 E261	E83-I85 VanDerWaalsContact C-N 3.27Å; E83-I85 HydrophobicContact CB-CG2 4.15Å; E83-I85 PolarHBondContact O-N 3.12Å; E83-K139 VanDerWaalsContact CD-NZ 3.3Å; E83-K139 HydrophobicContact CG-CD 4.07Å; E83-K139 VanDerWaalsContact CG-CE 3.43Å; E83-K139 IonicContact OE1-NZ 2.65Å; E83-K139 PolarHBondContact OE1-NZ 3.32Å; E83-Q140 PolarHBondContact OE2-NE2 2.99Å; E83-E261 HydrophobicContact CG-CG 4.07Å; E83-E261 PolarHBondContact N-OE1 2.92Å
84	P	95.6	Very high	96	Very high	12 Å²	12	41 Å²	41	8%	0.078	21%	0.212	C	C	.	.			trans	-81.7	74	171.6	34.7	-35.5	0	0	0	110.4	P82 I86 T87 I125 M129 H138 K139	P82-P84 VanDerWaalsContact O-CD 3.22Å; P82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-I86 PolarHBondContact O-N 3.41Å; P84-T87 HydrophobicContact CB-CG2 4.06Å; P84-T87 HydrophobicContact CG-CG2 4.2Å; P84-T87 WeakPolarHBondContact O-CB 3.22Å; P84-T87 PolarHBondContact O-N 3.23Å; P84-T87 PolarHBondContact O-OG1 3.43Å; P84-I125 HydrophobicContact CB-CG2 3.65Å; P84-M129 HydrophobicContact CB-CE 4.31Å; P84-M129 HydrophobicContact CB-SD 4.08Å; P84-M129 HydrophobicContact CG-SD 4.28Å; P84-H138 WeakPolarHBondContact CG-CD2 3.39Å; P84-H138 VanDerWaalsContact CG-NE2 3.3Å; P84-H138 WeakPolarHBondContact CG-NE2 3.48Å; P84-K139 WeakPolarHBondContact CD-O 3.32Å
85	I	93.6	Very high	95.8	Very high	122 Å²	122	45.2 Å²	45.2	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-30.5	-172.8	61.2	173.7	0	0	0	114.4	E83 T87 T88	E83-I85 VanDerWaalsContact C-N 3.27Å; E83-I85 HydrophobicContact CB-CG2 4.15Å; E83-I85 PolarHBondContact O-N 3.12Å; I85-T87 PolarHBondContact O-N 3.31Å; I85-T88 PolarHBondContact O-N 2.87Å
86	I	95.6	Very high	95.5	Very high	85 Å²	85	49.9 Å²	49.9	44%	0.436	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-23.6	-177.3	-159	161.6	0	0	0	113.4	P84 T88 S89 L90 Y121	P84-I86 PolarHBondContact O-N 3.41Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 3.18Å; I86-S89 WeakPolarHBondContact O-CB 3.48Å; I86-S89 PolarHBondContact O-N 3.37Å; I86-L90 PolarHBondContact O-N 2.8Å; I86-L90 VanDerWaalsContact O-N 3.11Å; I86-Y121 WeakPolarHBondContact CD1-OH 3.33Å; I86-Y121 VanDerWaalsContact CG1-OH 3.25Å; I86-Y121 WeakPolarHBondContact CG1-OH 3.39Å; I86-Y121 HydrophobicContact CG2-CE1 4.15Å; I86-Y121 WeakPolarHBondContact CG2-OH 3.39Å
87	T	97.2	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-33.9	179.3	57.1	0	0	0	0	112.9	P84 I85 L90 L91 F122 I125 H138	P84-T87 HydrophobicContact CB-CG2 4.06Å; P84-T87 HydrophobicContact CG-CG2 4.2Å; P84-T87 WeakPolarHBondContact O-CB 3.22Å; P84-T87 PolarHBondContact O-N 3.23Å; P84-T87 PolarHBondContact O-OG1 3.43Å; I85-T87 PolarHBondContact O-N 3.31Å; T87-L90 PolarHBondContact O-N 2.74Å; T87-L91 WeakPolarHBondContact O-CG 3.05Å; T87-L91 PolarHBondContact O-N 2.88Å; T87-L91 VanDerWaalsContact O-N 3.17Å; T87-F122 HydrophobicContact CG2-CD1 4.1Å; T87-F122 HydrophobicContact CG2-CE1 3.95Å; T87-F122 HydrophobicContact CG2-CG 4.47Å; T87-F122 HydrophobicContact CG2-CZ 4.18Å; T87-I125 HydrophobicContact CG2-CG2 4.43Å; T87-H138 PolarHBondContact OG1-NE2 2.98Å
88	T	96.2	Very high	94.4	Very high	19 Å²	19	51.3 Å²	51.3	12%	0.117	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-37.7	174.2	-55	0	0	0	0	111.4	I85 I86 L90 L91 R92 Q140 F142	I85-T88 PolarHBondContact O-N 2.87Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 3.18Å; T88-L90 VanDerWaalsContact C-N 3.32Å; T88-L90 PolarHBondContact O-N 2.72Å; T88-L91 PolarHBondContact O-N 2.99Å; T88-R92 PolarHBondContact O-N 2.7Å; T88-Q140 WeakPolarHBondContact OG1-CG 3.45Å; T88-F142 HydrophobicContact CG2-CB 4.07Å
89	S	95.8	Very high	93.8	Very high	67 Å²	67	57.6 Å²	57.6	47%	0.469	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-40.8	175.6	-58.9	0	0	0	0	111.5	I86 R92 F93	I86-S89 WeakPolarHBondContact O-CB 3.48Å; I86-S89 PolarHBondContact O-N 3.37Å; S89-R92 PolarHBondContact O-N 2.65Å; S89-F93 WeakPolarHBondContact O-CB 3.44Å; S89-F93 PolarHBondContact O-N 3.41Å
90	L	96.5	Very high	93.4	Very high	30 Å²	30	60.5 Å²	60.5	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-43	175.7	-179.3	61.5	0	0	0	112.3	I86 T87 T88 R92 F93 K94 I118 Y121 F122	I86-L90 PolarHBondContact O-N 2.8Å; I86-L90 VanDerWaalsContact O-N 3.11Å; T87-L90 PolarHBondContact O-N 2.74Å; T88-L90 VanDerWaalsContact C-N 3.32Å; T88-L90 PolarHBondContact O-N 2.72Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.09Å; L90-F93 WeakPolarHBondContact O-CB 3.3Å; L90-F93 PolarHBondContact O-N 3.11Å; L90-K94 PolarHBondContact O-N 3.37Å; L90-I118 HydrophobicContact CD1-CD1 3.53Å; L90-I118 HydrophobicContact CD2-CD1 3.81Å; L90-I118 HydrophobicContact CD2-CG2 4.19Å; L90-I118 HydrophobicContact CG-CD1 3.6Å; L90-Y121 HydrophobicContact CD2-CD1 3.24Å; L90-Y121 HydrophobicContact CD2-CD2 4.23Å; L90-Y121 HydrophobicContact CD2-CE1 3.85Å; L90-Y121 HydrophobicContact CD2-CG 3.46Å; L90-Y121 VanDerWaalsContact CD2-CG 3.46Å; L90-Y121 HydrophobicContact CG-CD1 4.49Å; L90-F122 HydrophobicContact CD2-CD2 4.01Å; L90-F122 HydrophobicContact CD2-CE2 3.99Å
91	L	97.3	Very high	93	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-37.8	176.9	-69	168.5	0	0	0	112.1	T87 T88 K94 K95 F122 T143 Y146 Y149 L150	T87-L91 WeakPolarHBondContact O-CG 3.05Å; T87-L91 PolarHBondContact O-N 2.88Å; T87-L91 VanDerWaalsContact O-N 3.17Å; T88-L91 PolarHBondContact O-N 2.99Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-K95 PolarHBondContact O-N 3.24Å; L91-F122 HydrophobicContact CD1-CZ 3.71Å; L91-F122 HydrophobicContact CD2-CE2 4.15Å; L91-F122 HydrophobicContact CD2-CZ 4.08Å; L91-F122 HydrophobicContact CG-CE2 4.04Å; L91-F122 HydrophobicContact CG-CZ 3.73Å; L91-T143 HydrophobicContact CD1-CG2 3.77Å; L91-Y146 HydrophobicContact CB-CD1 4.14Å; L91-Y146 HydrophobicContact CB-CD2 3.53Å; L91-Y146 HydrophobicContact CB-CE1 4.24Å; L91-Y146 HydrophobicContact CB-CE2 3.63Å; L91-Y146 HydrophobicContact CB-CG 3.79Å; L91-Y146 HydrophobicContact CD1-CD2 3.65Å; L91-Y146 HydrophobicContact CD1-CE2 4.4Å; L91-Y146 HydrophobicContact CD1-CG 4.03Å; L91-Y146 HydrophobicContact CD2-CG 4.36Å; L91-Y146 HydrophobicContact CG-CD2 4.15Å; L91-Y146 HydrophobicContact CG-CG 4.29Å; L91-Y149 HydrophobicContact CD2-CD1 3.78Å; L91-Y149 HydrophobicContact CD2-CE1 3.95Å; L91-L150 HydrophobicContact CD1-CD1 4.4Å; L91-L150 HydrophobicContact CD1-CD2 4.29Å; L91-L150 HydrophobicContact CD2-CD2 4.1Å
92	R	95.3	Very high	92.9	Very high	162 Å²	162	72 Å²	72	61%	0.611	35%	0.348	S	S	*	.	H	α-helix	trans	-63.3	-43.8	172.5	-173.8	-177.8	-68.7	154	-1.1	111.6	T88 S89 L90 K95 M96 Y146	T88-R92 PolarHBondContact O-N 2.7Å; S89-R92 PolarHBondContact O-N 2.65Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.09Å; R92-K95 PolarHBondContact O-N 2.79Å; R92-M96 PolarHBondContact O-N 3.17Å; R92-M96 VanDerWaalsContact O-N 3.14Å; R92-Y146 WeakPolarHBondContact CA-OH 2.99Å
93	F	93.5	Very high	92.7	Very high	100 Å²	100	77.1 Å²	77.1	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-47.2	175	178.2	-94.9	0	0	0	111.3	S89 L90 K95 M96 Y97	S89-F93 WeakPolarHBondContact O-CB 3.44Å; S89-F93 PolarHBondContact O-N 3.41Å; L90-F93 WeakPolarHBondContact O-CB 3.3Å; L90-F93 PolarHBondContact O-N 3.11Å; F93-K95 VanDerWaalsContact C-N 3.33Å; F93-K95 PolarHBondContact O-N 3.39Å; F93-M96 HydrophobicContact CD2-CE 4.15Å; F93-M96 HydrophobicContact CE2-CE 4.26Å; F93-M96 WeakPolarHBondContact O-CB 3.24Å; F93-M96 PolarHBondContact O-N 2.99Å; F93-Y97 HydrophobicContact CD1-CD2 4.32Å; F93-Y97 HydrophobicContact CD1-CE2 4.42Å; F93-Y97 HydrophobicContact CD2-CD2 4.49Å; F93-Y97 HydrophobicContact CD2-CE2 4.03Å; F93-Y97 AromaticContact CE1-CD2 3.95Å; F93-Y97 HydrophobicContact CE1-CD2 3.95Å; F93-Y97 AromaticContact CE1-CE2 3.82Å; F93-Y97 HydrophobicContact CE1-CE2 3.82Å; F93-Y97 HydrophobicContact CE2-CD2 4.18Å; F93-Y97 AromaticContact CE2-CE2 3.39Å; F93-Y97 HydrophobicContact CE2-CE2 3.39Å; F93-Y97 AromaticContact CZ-CD2 3.89Å; F93-Y97 HydrophobicContact CZ-CD2 3.89Å; F93-Y97 AromaticContact CZ-CE2 3.26Å; F93-Y97 HydrophobicContact CZ-CE2 3.26Å; F93-Y97 WeakPolarHBondContact O-CD2 3.13Å; F93-Y97 PolarHBondContact O-N 3.17Å
94	K	93.5	Very high	92.5	Very high	19 Å²	19	76 Å²	76	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-53.2	-51.9	173.8	-171.8	-75.5	-179.3	130.8	0	110.7	L90 L91 M96 Y97 E98 F114 I118 Y149	L90-K94 PolarHBondContact O-N 3.37Å; L91-K94 PolarHBondContact O-N 3.48Å; K94-M96 PolarHBondContact O-N 2.93Å; K94-Y97 PolarHBondContact O-N 3.47Å; K94-E98 HydrophobicContact CD-CG 3.83Å; K94-E98 WeakPolarHBondContact CD-OE1 3.49Å; K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 IonicContact NZ-OE1 3.98Å; K94-E98 PolarHBondContact NZ-OE1 3.4Å; K94-E98 PolarHBondContact O-N 3.17Å; K94-F114 HydrophobicContact CB-CZ 4.17Å; K94-F114 HydrophobicContact CG-CE1 3.94Å; K94-F114 HydrophobicContact CG-CE2 4.5Å; K94-F114 HydrophobicContact CG-CZ 3.93Å; K94-I118 HydrophobicContact CB-CD1 4.31Å; K94-I118 HydrophobicContact CG-CD1 4.49Å; K94-I118 HydrophobicContact CG-CG1 4.44Å; K94-Y149 HydrophobicContact CD-CE1 4.17Å; K94-Y149 HydrophobicContact CG-CE1 4.09Å; K94-Y149 VanDerWaalsContact NZ-CZ 3.33Å
95	K	92.8	Very high	92.4	Very high	90 Å²	90	78.6 Å²	78.6	39%	0.391	38%	0.378	S	S	.	.	H	α-helix	trans	-56.7	-36.5	-177.6	-172.6	70.4	-165.2	164.8	0	113.1	L91 R92 F93 Y97 E98 H99 Y146	L91-K95 PolarHBondContact O-N 3.24Å; R92-K95 PolarHBondContact O-N 2.79Å; F93-K95 VanDerWaalsContact C-N 3.33Å; F93-K95 PolarHBondContact O-N 3.39Å; K95-Y97 VanDerWaalsContact C-N 3.33Å; K95-Y97 PolarHBondContact O-N 3.33Å; K95-E98 VanDerWaalsContact CD-OE2 3.26Å; K95-E98 WeakPolarHBondContact CD-OE2 3.15Å; K95-E98 WeakPolarHBondContact CE-OE2 3.43Å; K95-E98 IonicContact NZ-OE2 2.99Å; K95-E98 PolarHBondContact NZ-OE2 3.41Å; K95-E98 PolarHBondContact O-N 3.49Å; K95-H99 PolarHBondContact O-ND1 3.02Å; K95-Y146 HydrophobicContact CB-CE1 3.92Å; K95-Y146 HydrophobicContact CD-CE1 4.35Å; K95-Y146 HydrophobicContact CG-CE1 4.24Å
96	M	91.6	Very high	92.4	Very high	109 Å²	109	77.2 Å²	77.2	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-59.8	-42.7	176.6	-174	177.4	69.4	0	0	112	R92 F93 K94 H99	R92-M96 PolarHBondContact O-N 3.17Å; R92-M96 VanDerWaalsContact O-N 3.14Å; F93-M96 HydrophobicContact CD2-CE 4.15Å; F93-M96 HydrophobicContact CE2-CE 4.26Å; F93-M96 WeakPolarHBondContact O-CB 3.24Å; F93-M96 PolarHBondContact O-N 2.99Å; K94-M96 PolarHBondContact O-N 2.93Å; M96-H99 PolarHBondContact O-ND1 3.45Å
97	Y	88.3	Confident	92.3	Very high	80 Å²	80	76.6 Å²	76.6	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-80.5	-13.1	-177.3	-79.3	-83.2	0	0	0	114.8	F93 K94 K95 H99 N100 L104	F93-Y97 HydrophobicContact CD1-CD2 4.32Å; F93-Y97 HydrophobicContact CD1-CE2 4.42Å; F93-Y97 HydrophobicContact CD2-CD2 4.49Å; F93-Y97 HydrophobicContact CD2-CE2 4.03Å; F93-Y97 AromaticContact CE1-CD2 3.95Å; F93-Y97 HydrophobicContact CE1-CD2 3.95Å; F93-Y97 AromaticContact CE1-CE2 3.82Å; F93-Y97 HydrophobicContact CE1-CE2 3.82Å; F93-Y97 HydrophobicContact CE2-CD2 4.18Å; F93-Y97 AromaticContact CE2-CE2 3.39Å; F93-Y97 HydrophobicContact CE2-CE2 3.39Å; F93-Y97 AromaticContact CZ-CD2 3.89Å; F93-Y97 HydrophobicContact CZ-CD2 3.89Å; F93-Y97 AromaticContact CZ-CE2 3.26Å; F93-Y97 HydrophobicContact CZ-CE2 3.26Å; F93-Y97 WeakPolarHBondContact O-CD2 3.13Å; F93-Y97 PolarHBondContact O-N 3.17Å; K94-Y97 PolarHBondContact O-N 3.47Å; K95-Y97 VanDerWaalsContact C-N 3.33Å; K95-Y97 PolarHBondContact O-N 3.33Å; Y97-H99 PolarHBondContact O-N 3.01Å; Y97-H99 VanDerWaalsContact O-N 3.13Å; Y97-N100 PolarHBondContact O-N 3.31Å; Y97-L104 HydrophobicContact CD1-CD2 4.12Å
98	E	82.4	Confident	92.1	Very high	74 Å²	74	78.3 Å²	78.3	35%	0.346	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.8	173	-68.7	-178.1	175.9	0	0	113	K94 K95 N100 P101	K94-E98 HydrophobicContact CD-CG 3.83Å; K94-E98 WeakPolarHBondContact CD-OE1 3.49Å; K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 IonicContact NZ-OE1 3.98Å; K94-E98 PolarHBondContact NZ-OE1 3.4Å; K94-E98 PolarHBondContact O-N 3.17Å; K95-E98 VanDerWaalsContact CD-OE2 3.26Å; K95-E98 WeakPolarHBondContact CD-OE2 3.15Å; K95-E98 WeakPolarHBondContact CE-OE2 3.43Å; K95-E98 IonicContact NZ-OE2 2.99Å; K95-E98 PolarHBondContact NZ-OE2 3.41Å; K95-E98 PolarHBondContact O-N 3.49Å; E98-N100 VanDerWaalsContact C-N 3.29Å; E98-N100 PolarHBondContact O-N 3.48Å; E98-P101 WeakPolarHBondContact O-CD 3.21Å
99	H	84.7	Confident	91.9	Very high	138 Å²	138	80.5 Å²	80.5	64%	0.639	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.2	179.1	-59.6	86.2	0	0	0	113.4	K95 M96 Y97 P101	K95-H99 PolarHBondContact O-ND1 3.02Å; M96-H99 PolarHBondContact O-ND1 3.45Å; Y97-H99 PolarHBondContact O-N 3.01Å; Y97-H99 VanDerWaalsContact O-N 3.13Å; H99-P101 WeakPolarHBondContact O-CD 3.45Å
100	N	87.8	Confident	91.7	Very high	80 Å²	80	81.7 Å²	81.7	43%	0.428	42%	0.415	S	S	.	.			trans	-124.6	49.7	-176.9	-64.8	-63.2	0	0	0	113.3	Y97 E98 K102 Q103 L104	Y97-N100 PolarHBondContact O-N 3.31Å; E98-N100 VanDerWaalsContact C-N 3.29Å; E98-N100 PolarHBondContact O-N 3.48Å; N100-K102 PolarHBondContact O-N 3.18Å; N100-Q103 HydrophobicContact CB-CB 4.31Å; N100-Q103 PolarHBondContact O-N 2.9Å; N100-Q103 VanDerWaalsContact O-N 3.15Å; N100-L104 PolarHBondContact O-N 3.39Å
101	P	88.9	Confident	91.4	Very high	67 Å²	67	84.4 Å²	84.4	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-63	-31.5	-174	27.2	-34.7	0	0	0	112.3	E98 H99 Q103 L104 N105	E98-P101 WeakPolarHBondContact O-CD 3.21Å; H99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-Q103 PolarHBondContact O-N 3.41Å; P101-L104 PolarHBondContact O-N 2.97Å; P101-N105 VanDerWaalsContact O-CB 3.25Å; P101-N105 WeakPolarHBondContact O-CB 3.43Å; P101-N105 PolarHBondContact O-N 2.91Å; P101-N105 PolarHBondContact O-ND2 3.48Å; P101-N105 PolarHBondContact O-OD1 3.16Å
102	K	92.3	Very high	91.1	Very high	181 Å²	181	87.6 Å²	87.6	79%	0.787	45%	0.452	S	S	*	.	H	α-helix	trans	-63.6	-41.2	177.9	-65.8	-176.8	-179.4	179.1	0	112.2	N100 A106	N100-K102 PolarHBondContact O-N 3.18Å; K102-A106 WeakPolarHBondContact O-CB 3.42Å; K102-A106 PolarHBondContact O-N 3.39Å
103	Q	91.4	Very high	91	Very high	134 Å²	134	83.5 Å²	83.5	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-68.4	-44	179.6	-172.8	179.6	12.7	0	0	111	N100 P101 A106 A107	N100-Q103 HydrophobicContact CB-CB 4.31Å; N100-Q103 PolarHBondContact O-N 2.9Å; N100-Q103 VanDerWaalsContact O-N 3.15Å; P101-Q103 PolarHBondContact O-N 3.41Å; Q103-A106 PolarHBondContact O-N 2.98Å; Q103-A107 PolarHBondContact O-N 3.27Å
104	L	92.3	Very high	90.9	Very high	28 Å²	28	80.2 Å²	80.2	15%	0.147	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-47.8	175.1	-65.9	178.5	0	0	0	111.5	Y97 N100 P101 A106 A107 G108 I109 F114	Y97-L104 HydrophobicContact CD1-CD2 4.12Å; N100-L104 PolarHBondContact O-N 3.39Å; P101-L104 PolarHBondContact O-N 2.97Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.04Å; L104-A107 CarbonylContact O-C 3.58Å; L104-A107 WeakPolarHBondContact O-CA 3.19Å; L104-A107 PolarHBondContact O-N 3.09Å; L104-A107 VanDerWaalsContact O-N 3.07Å; L104-G108 PolarHBondContact O-N 3.37Å; L104-I109 CarbonylContact C-O 3.49Å; L104-I109 HydrophobicContact CB-CB 4.22Å; L104-I109 WeakPolarHBondContact CB-O 3.29Å; L104-I109 HydrophobicContact CD2-CB 4.43Å; L104-I109 HydrophobicContact CD2-CD1 4.33Å; L104-I109 HydrophobicContact CD2-CG2 4.33Å; L104-I109 PolarHBondContact O-N 2.99Å; L104-F114 HydrophobicContact CD1-CD1 4.31Å; L104-F114 HydrophobicContact CD1-CE1 4.38Å
105	N	93.5	Very high	91	Very high	65 Å²	65	80 Å²	80	35%	0.348	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-39.1	179.6	-70.7	-10.8	0	0	0	112.1	P101 A107 G108 Y110	P101-N105 VanDerWaalsContact O-CB 3.25Å; P101-N105 WeakPolarHBondContact O-CB 3.43Å; P101-N105 PolarHBondContact O-N 2.91Å; P101-N105 PolarHBondContact O-ND2 3.48Å; P101-N105 PolarHBondContact O-OD1 3.16Å; N105-A107 PolarHBondContact O-N 3.23Å; N105-G108 PolarHBondContact O-N 3Å; N105-Y110 HydrophobicContact CB-CD1 4.42Å; N105-Y110 HydrophobicContact CB-CE1 4.26Å
106	A	93.8	Very high	91	Very high	93 Å²	93	77 Å²	77	77%	0.769	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-27.5	175.5	0	0	0	0	0	112.7	K102 Q103 L104 G108	K102-A106 WeakPolarHBondContact O-CB 3.42Å; K102-A106 PolarHBondContact O-N 3.39Å; Q103-A106 PolarHBondContact O-N 2.98Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.04Å; A106-G108 VanDerWaalsContact C-N 3.32Å
107	A	93.7	Very high	91.2	Very high	72 Å²	72	74.4 Å²	74.4	60%	0.595	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.2	172.9	0	0	0	0	0	113.7	Q103 L104 N105 I109	Q103-A107 PolarHBondContact O-N 3.27Å; L104-A107 CarbonylContact O-C 3.58Å; L104-A107 WeakPolarHBondContact O-CA 3.19Å; L104-A107 PolarHBondContact O-N 3.09Å; L104-A107 VanDerWaalsContact O-N 3.07Å; N105-A107 PolarHBondContact O-N 3.23Å; A107-I109 VanDerWaalsContact C-N 3.28Å; A107-I109 HydrophobicContact CB-CD1 4.25Å; A107-I109 HydrophobicContact CB-CG1 4.49Å; A107-I109 PolarHBondContact O-N 3.1Å
108	G	92.6	Very high	91.5	Very high	36 Å²	36	70.8 Å²	70.8	37%	0.371	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	9.7	-177.6	0	0	0	0	0	114.8	L104 N105 A106 Y110	L104-G108 PolarHBondContact O-N 3.37Å; N105-G108 PolarHBondContact O-N 3Å; A106-G108 VanDerWaalsContact C-N 3.32Å; G108-Y110 WeakPolarHBondContact O-CD2 3.11Å; G108-Y110 PolarHBondContact O-N 3.34Å
109	I	91.9	Very high	92.2	Very high	66 Å²	66	67.3 Å²	67.3	34%	0.338	38%	0.382	S	S	.	.			trans	-91	79.4	178	-57.2	163.2	0	0	0	108.6	L104 A107 F114	L104-I109 CarbonylContact C-O 3.49Å; L104-I109 HydrophobicContact CB-CB 4.22Å; L104-I109 WeakPolarHBondContact CB-O 3.29Å; L104-I109 HydrophobicContact CD2-CB 4.43Å; L104-I109 HydrophobicContact CD2-CD1 4.33Å; L104-I109 HydrophobicContact CD2-CG2 4.33Å; L104-I109 PolarHBondContact O-N 2.99Å; A107-I109 VanDerWaalsContact C-N 3.28Å; A107-I109 HydrophobicContact CB-CD1 4.25Å; A107-I109 HydrophobicContact CB-CG1 4.49Å; A107-I109 PolarHBondContact O-N 3.1Å; I109-F114 HydrophobicContact CG2-CB 4.19Å
110	Y	91.5	Very high	92.8	Very high	92 Å²	92	62 Å²	62	36%	0.361	36%	0.361	S	S	.	.			trans	-75.8	161.7	176	-57.4	-71.2	0	0	0	111.8	P39 N105 G108 N112 V113 F114	P39-Y110 HydrophobicContact CG-CE2 4.48Å; N105-Y110 HydrophobicContact CB-CD1 4.42Å; N105-Y110 HydrophobicContact CB-CE1 4.26Å; G108-Y110 WeakPolarHBondContact O-CD2 3.11Å; G108-Y110 PolarHBondContact O-N 3.34Å; Y110-N112 VanDerWaalsContact C-N 3.25Å; Y110-N112 PolarHBondContact O-N 3.07Å; Y110-N112 VanDerWaalsContact O-N 3.12Å; Y110-V113 WeakPolarHBondContact O-CB 3.36Å; Y110-V113 PolarHBondContact O-N 2.98Å; Y110-F114 PolarHBondContact O-N 3.32Å; Y110-F114 VanDerWaalsContact O-N 3.08Å
111	P	90.5	Very high	93.2	Very high	86 Å²	86	62.1 Å²	62.1	56%	0.558	36%	0.356	S	S	*	.	H	α-helix	trans	-50.2	-40.8	-179.7	-30.8	36.4	0	0	0	114.4	V113 F114 N115	P111-V113 PolarHBondContact O-N 3.38Å; P111-F114 PolarHBondContact O-N 3.36Å; P111-N115 VanDerWaalsContact O-CB 3.23Å; P111-N115 WeakPolarHBondContact O-CB 3.28Å; P111-N115 PolarHBondContact O-N 3.44Å; P111-N115 PolarHBondContact O-OD1 2.88Å
112	N	91.8	Very high	93.7	Very high	68 Å²	68	59 Å²	59	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-42.2	178.1	-176	56.1	0	0	0	112.8	R50 Y110 R116	R50-N112 PolarHBondContact NH1-OD1 3.04Å; Y110-N112 VanDerWaalsContact C-N 3.25Å; Y110-N112 PolarHBondContact O-N 3.07Å; Y110-N112 VanDerWaalsContact O-N 3.12Å; N112-R116 VanDerWaalsContact O-CB 3.3Å; N112-R116 WeakPolarHBondContact O-CB 3.44Å; N112-R116 PolarHBondContact O-N 3.28Å
113	V	92.4	Very high	93.9	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-46.4	177.5	176.9	0	0	0	0	109.8	Y110 P111 R116 A117	Y110-V113 WeakPolarHBondContact O-CB 3.36Å; Y110-V113 PolarHBondContact O-N 2.98Å; P111-V113 PolarHBondContact O-N 3.38Å; V113-R116 PolarHBondContact O-N 2.66Å; V113-A117 PolarHBondContact O-N 2.9Å
114	F	92.2	Very high	94.1	Very high	31 Å²	31	49.8 Å²	49.8	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-47.4	-179.8	-162.7	-174.9	0	0	0	111.4	K94 L104 I109 Y110 P111 R116 A117 I118	K94-F114 HydrophobicContact CB-CZ 4.17Å; K94-F114 HydrophobicContact CG-CE1 3.94Å; K94-F114 HydrophobicContact CG-CE2 4.5Å; K94-F114 HydrophobicContact CG-CZ 3.93Å; L104-F114 HydrophobicContact CD1-CD1 4.31Å; L104-F114 HydrophobicContact CD1-CE1 4.38Å; I109-F114 HydrophobicContact CG2-CB 4.19Å; Y110-F114 PolarHBondContact O-N 3.32Å; Y110-F114 VanDerWaalsContact O-N 3.08Å; P111-F114 PolarHBondContact O-N 3.36Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.45Å; F114-A117 WeakPolarHBondContact O-CB 3.35Å; F114-A117 PolarHBondContact O-N 3.22Å; F114-A117 VanDerWaalsContact O-N 3.12Å; F114-I118 HydrophobicContact CD2-CD1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 3.93Å; F114-I118 HydrophobicContact CE2-CD1 3.76Å; F114-I118 HydrophobicContact CE2-CG1 3.98Å; F114-I118 WeakPolarHBondContact O-CG1 3.48Å; F114-I118 PolarHBondContact O-N 3.3Å
115	N	94	Very high	94.3	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.08	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-41.1	177.8	-72.8	-3.9	0	0	0	111.9	P111 I118 A119 Y149 E152 I153	P111-N115 VanDerWaalsContact O-CB 3.23Å; P111-N115 WeakPolarHBondContact O-CB 3.28Å; P111-N115 PolarHBondContact O-N 3.44Å; P111-N115 PolarHBondContact O-OD1 2.88Å; N115-I118 PolarHBondContact O-N 3.45Å; N115-A119 WeakPolarHBondContact O-CB 3.47Å; N115-A119 PolarHBondContact O-N 2.98Å; N115-Y149 WeakPolarHBondContact OD1-CE2 3.48Å; N115-Y149 PolarHBondContact OD1-OH 3.49Å; N115-E152 PolarHBondContact ND2-OE1 3.27Å; N115-E152 VanDerWaalsContact ND2-OE1 3.09Å; N115-I153 HydrophobicContact CB-CG2 3.83Å
116	R	94	Very high	94.4	Very high	26 Å²	26	47.7 Å²	47.7	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.5	-169.2	176.9	-175.7	-170.2	2.2	111.5	D41 F43 N112 V113 F114 A119 S120	D41-R116 IonicContact OD1-CZ 3.6Å; D41-R116 IonicContact OD1-NH1 2.7Å; D41-R116 PolarHBondContact OD1-NH1 3.12Å; D41-R116 IonicContact OD2-CZ 3.95Å; D41-R116 IonicContact OD2-NH1 2.98Å; D41-R116 PolarHBondContact OD2-NH1 2.91Å; F43-R116 PolarHBondContact O-NH1 3.17Å; F43-R116 VanDerWaalsContact O-NH1 3.11Å; F43-R116 PolarHBondContact O-NH2 3.25Å; N112-R116 VanDerWaalsContact O-CB 3.3Å; N112-R116 WeakPolarHBondContact O-CB 3.44Å; N112-R116 PolarHBondContact O-N 3.28Å; V113-R116 PolarHBondContact O-N 2.66Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.45Å; R116-A119 PolarHBondContact O-N 2.86Å; R116-S120 WeakPolarHBondContact O-CB 3.39Å; R116-S120 PolarHBondContact O-N 2.85Å; R116-S120 PolarHBondContact O-OG 2.96Å
117	A	94.4	Very high	94.5	Very high	56 Å²	56	46.6 Å²	46.6	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-44.1	176.4	0	0	0	0	0	112.4	V113 F114 S120 Y121	V113-A117 PolarHBondContact O-N 2.9Å; F114-A117 WeakPolarHBondContact O-CB 3.35Å; F114-A117 PolarHBondContact O-N 3.22Å; F114-A117 VanDerWaalsContact O-N 3.12Å; A117-S120 PolarHBondContact O-N 3.16Å; A117-Y121 PolarHBondContact O-N 2.82Å
118	I	96.4	Very high	94.6	Very high	4 Å²	4	48 Å²	48	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175.2	-60.6	-65.6	0	0	0	110.7	L90 K94 F114 N115 S120 Y121 F122 Y149 I153	L90-I118 HydrophobicContact CD1-CD1 3.53Å; L90-I118 HydrophobicContact CD2-CD1 3.81Å; L90-I118 HydrophobicContact CD2-CG2 4.19Å; L90-I118 HydrophobicContact CG-CD1 3.6Å; K94-I118 HydrophobicContact CB-CD1 4.31Å; K94-I118 HydrophobicContact CG-CD1 4.49Å; K94-I118 HydrophobicContact CG-CG1 4.44Å; F114-I118 HydrophobicContact CD2-CD1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 3.93Å; F114-I118 HydrophobicContact CE2-CD1 3.76Å; F114-I118 HydrophobicContact CE2-CG1 3.98Å; F114-I118 WeakPolarHBondContact O-CG1 3.48Å; F114-I118 PolarHBondContact O-N 3.3Å; N115-I118 PolarHBondContact O-N 3.45Å; I118-S120 PolarHBondContact O-N 2.89Å; I118-Y121 PolarHBondContact O-N 3.12Å; I118-F122 HydrophobicContact CG2-CD2 3.93Å; I118-F122 HydrophobicContact CG2-CE2 4.04Å; I118-F122 WeakPolarHBondContact O-CD2 3.22Å; I118-F122 PolarHBondContact O-N 2.68Å; I118-Y149 HydrophobicContact CG2-CE1 4.23Å; I118-I153 HydrophobicContact CG2-CD1 3.89Å
119	A	97	Very high	94.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-42.9	178.4	0	0	0	0	0	111.9	P49 R50 N115 R116 Y121 F122 S123 F154	P49-A119 HydrophobicContact CB-CB 4.34Å; P49-A119 HydrophobicContact CG-CB 4.04Å; R50-A119 HydrophobicContact CG-CB 3.53Å; N115-A119 WeakPolarHBondContact O-CB 3.47Å; N115-A119 PolarHBondContact O-N 2.98Å; R116-A119 PolarHBondContact O-N 2.86Å; A119-Y121 PolarHBondContact O-N 3.46Å; A119-F122 PolarHBondContact O-N 3.19Å; A119-S123 WeakPolarHBondContact O-CB 3.47Å; A119-S123 PolarHBondContact O-N 3.3Å; A119-S123 PolarHBondContact O-OG 3.1Å; A119-F154 HydrophobicContact CB-CE1 4.19Å; A119-F154 HydrophobicContact CB-CZ 4.15Å
120	S	96.3	Very high	94.6	Very high	28 Å²	28	47.4 Å²	47.4	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-46	173.5	-73	0	0	0	0	112.1	R116 A117 I118 S123 E124	R116-S120 WeakPolarHBondContact O-CB 3.39Å; R116-S120 PolarHBondContact O-N 2.85Å; R116-S120 PolarHBondContact O-OG 2.96Å; A117-S120 PolarHBondContact O-N 3.16Å; I118-S120 PolarHBondContact O-N 2.89Å; S120-S123 PolarHBondContact O-N 2.71Å; S120-E124 WeakPolarHBondContact O-CB 3.36Å; S120-E124 PolarHBondContact O-N 3.06Å
121	Y	97.1	Very high	94.6	Very high	82 Å²	82	50.8 Å²	50.8	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-49.2	178	-176.5	-79.6	0	0	0	111.8	I86 L90 A117 I118 A119 E124 I125	I86-Y121 WeakPolarHBondContact CD1-OH 3.33Å; I86-Y121 VanDerWaalsContact CG1-OH 3.25Å; I86-Y121 WeakPolarHBondContact CG1-OH 3.39Å; I86-Y121 HydrophobicContact CG2-CE1 4.15Å; I86-Y121 WeakPolarHBondContact CG2-OH 3.39Å; L90-Y121 HydrophobicContact CD2-CD1 3.24Å; L90-Y121 HydrophobicContact CD2-CD2 4.23Å; L90-Y121 HydrophobicContact CD2-CE1 3.85Å; L90-Y121 HydrophobicContact CD2-CG 3.46Å; L90-Y121 VanDerWaalsContact CD2-CG 3.46Å; L90-Y121 HydrophobicContact CG-CD1 4.49Å; A117-Y121 PolarHBondContact O-N 2.82Å; I118-Y121 PolarHBondContact O-N 3.12Å; A119-Y121 PolarHBondContact O-N 3.46Å; Y121-E124 PolarHBondContact O-N 3.22Å; Y121-I125 HydrophobicContact CD1-CG1 4.2Å; Y121-I125 HydrophobicContact CE1-CG1 3.89Å; Y121-I125 WeakPolarHBondContact O-CG1 3.2Å; Y121-I125 PolarHBondContact O-N 2.94Å
122	F	97.8	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-46.8	177.9	-95.3	-104.9	0	0	0	111.7	F56 T87 L90 L91 I118 A119 E124 I125 I126 H138 L150 F154	F56-F122 HydrophobicContact CE1-CD1 4.02Å; F56-F122 HydrophobicContact CE1-CE1 4.21Å; F56-F122 HydrophobicContact CZ-CD1 4.43Å; T87-F122 HydrophobicContact CG2-CD1 4.1Å; T87-F122 HydrophobicContact CG2-CE1 3.95Å; T87-F122 HydrophobicContact CG2-CG 4.47Å; T87-F122 HydrophobicContact CG2-CZ 4.18Å; L90-F122 HydrophobicContact CD2-CD2 4.01Å; L90-F122 HydrophobicContact CD2-CE2 3.99Å; L91-F122 HydrophobicContact CD1-CZ 3.71Å; L91-F122 HydrophobicContact CD2-CE2 4.15Å; L91-F122 HydrophobicContact CD2-CZ 4.08Å; L91-F122 HydrophobicContact CG-CE2 4.04Å; L91-F122 HydrophobicContact CG-CZ 3.73Å; I118-F122 HydrophobicContact CG2-CD2 3.93Å; I118-F122 HydrophobicContact CG2-CE2 4.04Å; I118-F122 WeakPolarHBondContact O-CD2 3.22Å; I118-F122 PolarHBondContact O-N 2.68Å; A119-F122 PolarHBondContact O-N 3.19Å; F122-E124 VanDerWaalsContact C-N 3.34Å; F122-E124 PolarHBondContact O-N 3.03Å; F122-I125 PolarHBondContact O-N 2.7Å; F122-I126 WeakPolarHBondContact O-CB 3.24Å; F122-I126 WeakPolarHBondContact O-CG1 3.03Å; F122-I126 PolarHBondContact O-N 3.19Å; F122-H138 AromaticContact CE1-NE2 3.82Å; F122-L150 HydrophobicContact CE1-CD2 4Å; F122-L150 HydrophobicContact CZ-CD2 4.07Å; F122-F154 HydrophobicContact CB-CE2 3.85Å; F122-F154 HydrophobicContact CB-CZ 3.5Å; F122-F154 VanDerWaalsContact CB-CZ 3.5Å; F122-F154 HydrophobicContact CD1-CE2 4.21Å; F122-F154 HydrophobicContact CG-CE2 4.11Å; F122-F154 HydrophobicContact CG-CZ 4.26Å
123	S	96.5	Very high	94.9	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-44.1	177.5	-74	0	0	0	0	112.1	P49 N52 F54 A119 S120 I125 I126 I127	P49-S123 VanDerWaalsContact CB-OG 3.22Å; P49-S123 WeakPolarHBondContact CB-OG 3.32Å; P49-S123 PolarHBondContact O-OG 3.29Å; N52-S123 PolarHBondContact ND2-OG 2.95Å; N52-S123 VanDerWaalsContact ND2-OG 3.12Å; F54-S123 VanDerWaalsContact CE2-OG 3.28Å; F54-S123 WeakPolarHBondContact CE2-OG 3.3Å; A119-S123 WeakPolarHBondContact O-CB 3.47Å; A119-S123 PolarHBondContact O-N 3.3Å; A119-S123 PolarHBondContact O-OG 3.1Å; S120-S123 PolarHBondContact O-N 2.71Å; S123-I125 PolarHBondContact O-N 3.36Å; S123-I126 PolarHBondContact O-N 3.16Å; S123-I127 VanDerWaalsContact O-CB 3.29Å; S123-I127 WeakPolarHBondContact O-CB 3.39Å; S123-I127 WeakPolarHBondContact O-CD1 3.19Å; S123-I127 WeakPolarHBondContact O-CG1 3.37Å; S123-I127 PolarHBondContact O-N 2.71Å
124	E	96.2	Very high	95	Very high	117 Å²	117	53.2 Å²	53.2	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-45.8	180	-165.4	63.7	-152.1	0	0	111.5	S120 Y121 F122 N128	S120-E124 WeakPolarHBondContact O-CB 3.36Å; S120-E124 PolarHBondContact O-N 3.06Å; Y121-E124 PolarHBondContact O-N 3.22Å; F122-E124 VanDerWaalsContact C-N 3.34Å; F122-E124 PolarHBondContact O-N 3.03Å; E124-N128 VanDerWaalsContact CD-ND2 3.3Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 2.82Å; E124-N128 VanDerWaalsContact O-N 3.07Å; E124-N128 PolarHBondContact O-ND2 3.29Å; E124-N128 PolarHBondContact OE1-ND2 3.46Å
125	I	96.5	Very high	95.2	Very high	49 Å²	49	53.3 Å²	53.3	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-50.5	176.4	-62.4	-62.8	0	0	0	110.5	P84 T87 Y121 F122 S123 I127 N128 M129	P84-I125 HydrophobicContact CB-CG2 3.65Å; T87-I125 HydrophobicContact CG2-CG2 4.43Å; Y121-I125 HydrophobicContact CD1-CG1 4.2Å; Y121-I125 HydrophobicContact CE1-CG1 3.89Å; Y121-I125 WeakPolarHBondContact O-CG1 3.2Å; Y121-I125 PolarHBondContact O-N 2.94Å; F122-I125 PolarHBondContact O-N 2.7Å; S123-I125 PolarHBondContact O-N 3.36Å; I125-I127 VanDerWaalsContact C-N 3.3Å; I125-I127 PolarHBondContact O-N 3.33Å; I125-N128 PolarHBondContact O-N 3.18Å; I125-M129 HydrophobicContact CG2-SD 4.22Å; I125-M129 WeakPolarHBondContact O-CB 3.47Å; I125-M129 WeakPolarHBondContact O-CG 3.29Å; I125-M129 PolarHBondContact O-N 3.08Å
126	I	96.8	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-39.9	-177.8	-68.1	166.5	0	0	0	111.1	F54 F56 R79 F122 S123 L136 H138	F54-I126 HydrophobicContact CD1-CG2 3.85Å; F54-I126 HydrophobicContact CD2-CD1 3.78Å; F54-I126 HydrophobicContact CE1-CB 4.38Å; F54-I126 HydrophobicContact CE1-CG2 3.65Å; F54-I126 HydrophobicContact CE2-CB 4.49Å; F54-I126 HydrophobicContact CE2-CD1 3.86Å; F54-I126 HydrophobicContact CE2-CG2 4.46Å; F54-I126 HydrophobicContact CG-CD1 4.23Å; F54-I126 HydrophobicContact CG-CG2 4.36Å; F54-I126 HydrophobicContact CZ-CB 4.2Å; F54-I126 HydrophobicContact CZ-CD1 4.39Å; F54-I126 HydrophobicContact CZ-CG2 3.98Å; F56-I126 HydrophobicContact CE1-CD1 4.14Å; F56-I126 HydrophobicContact CZ-CD1 3.93Å; R79-I126 PolarHBondContact NH1-O 3.01Å; R79-I126 PolarHBondContact NH2-O 2.95Å; F122-I126 WeakPolarHBondContact O-CB 3.24Å; F122-I126 WeakPolarHBondContact O-CG1 3.03Å; F122-I126 PolarHBondContact O-N 3.19Å; S123-I126 PolarHBondContact O-N 3.16Å; I126-L136 HydrophobicContact CG2-CB 3.64Å; I126-L136 HydrophobicContact CG2-CD1 4.25Å; I126-H138 HydrophobicContact CD1-CB 3.77Å; I126-H138 HydrophobicContact CG1-CB 3.96Å
127	I	95.7	Very high	95.6	Very high	70 Å²	70	52.3 Å²	52.3	36%	0.359	29%	0.286	S	S	.	.	H	α-helix	trans	-71	-47.9	-178.4	-70	164.8	0	0	0	111	F54 R79 S123 I125 L136	F54-I127 HydrophobicContact CZ-CG1 4.38Å; R79-I127 PolarHBondContact NH2-O 2.81Å; R79-I127 VanDerWaalsContact NH2-O 3.16Å; S123-I127 VanDerWaalsContact O-CB 3.29Å; S123-I127 WeakPolarHBondContact O-CB 3.39Å; S123-I127 WeakPolarHBondContact O-CD1 3.19Å; S123-I127 WeakPolarHBondContact O-CG1 3.37Å; S123-I127 PolarHBondContact O-N 2.71Å; I125-I127 VanDerWaalsContact C-N 3.3Å; I125-I127 PolarHBondContact O-N 3.33Å; I127-L136 HydrophobicContact CB-CD1 4.28Å; I127-L136 HydrophobicContact CG1-CD1 3.75Å
128	N	95.1	Very high	95.8	Very high	103 Å²	103	49.6 Å²	49.6	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-98.1	-6.7	-166.2	-61.8	-75.1	0	0	0	115	E124 I125 G130	E124-N128 VanDerWaalsContact CD-ND2 3.3Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 2.82Å; E124-N128 VanDerWaalsContact O-N 3.07Å; E124-N128 PolarHBondContact O-ND2 3.29Å; E124-N128 PolarHBondContact OE1-ND2 3.46Å; I125-N128 PolarHBondContact O-N 3.18Å; N128-G130 PolarHBondContact O-N 2.98Å
129	M	92.5	Very high	95.9	Very high	56 Å²	56	49.5 Å²	49.5	28%	0.276	26%	0.263	S	S	.	.	S	Bend	trans	-73	-2.6	179.7	69.2	-179.2	-76.3	0	0	114.8	P82 P84 I125	P82-M129 WeakPolarHBondContact O-CE 3.37Å; P84-M129 HydrophobicContact CB-CE 4.31Å; P84-M129 HydrophobicContact CB-SD 4.08Å; P84-M129 HydrophobicContact CG-SD 4.28Å; I125-M129 HydrophobicContact CG2-SD 4.22Å; I125-M129 WeakPolarHBondContact O-CB 3.47Å; I125-M129 WeakPolarHBondContact O-CG 3.29Å; I125-M129 PolarHBondContact O-N 3.08Å
130	G	91.6	Very high	95.9	Very high	33 Å²	33	50.1 Å²	50.1	34%	0.34	27%	0.266	S	S	.	.	S	Bend	trans	-169.5	-167.8	-178	0	0	0	0	0	111.9	N128	N128-G130 PolarHBondContact O-N 2.98Å
131	Q	91.6	Very high	95.9	Very high	162 Å²	162	49 Å²	49	76%	0.757	26%	0.259	S	S	*	.			trans	-65.3	156.2	179.2	-62.4	-178.6	8.8	0	0	111.7	R79	R79-Q131 PolarHBondContact NE-O 3.14Å; R79-Q131 PolarHBondContact NH2-O 2.79Å
132	S	93.1	Very high	95.8	Very high	115 Å²	115	47.7 Å²	47.7	80%	0.804	26%	0.255	S	S	*	.			trans	-68.9	147.8	171.8	-168.9	0	0	0	0	110.6
133	A	95.4	Very high	95.8	Very high	25 Å²	25	47.7 Å²	47.7	21%	0.207	26%	0.255	C	S	.	.			trans	-152.3	160.8	171.4	0	0	0	0	0	108.9	R79 R135 L136	R79-A133 HydrophobicContact CB-CB 3.62Å; A133-R135 PolarHBondContact O-N 3.11Å; A133-L136 HydrophobicContact CB-CD2 3.94Å; A133-L136 WeakPolarHBondContact O-CD2 3.47Å
134	E	95	Very high	95.9	Very high	141 Å²	141	47.5 Å²	47.5	66%	0.659	25%	0.253	S	S	*	.	S	Bend	trans	-56.5	-40.5	177.7	-174.8	-166.5	156.6	0	0	111.6	S77	S77-E134 VanDerWaalsContact CB-OE2 3.27Å; S77-E134 WeakPolarHBondContact CB-OE2 3.22Å; S77-E134 PolarHBondContact O-N 3.11Å; S77-E134 PolarHBondContact OG-OE2 3.38Å
135	R	97	Very high	96	Very high	33 Å²	33	46.8 Å²	46.8	13%	0.125	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	179	-169.3	67.9	56.5	148.2	3.4	110.6	N53 I55 S77 I78 R79 A133 I238	N53-R135 WeakPolarHBondContact O-CD 3.16Å; N53-R135 PolarHBondContact O-NH1 2.99Å; I55-R135 HydrophobicContact CD1-CG 3.4Å; I55-R135 HydrophobicContact CG1-CG 3.69Å; S77-R135 PolarHBondContact O-N 2.88Å; I78-R135 VanDerWaalsContact CA-O 3.31Å; I78-R135 WeakPolarHBondContact CA-O 3.25Å; I78-R135 HydrophobicContact CG1-CB 4.16Å; R79-R135 PolarHBondContact N-O 3.23Å; A133-R135 PolarHBondContact O-N 3.11Å; R135-I238 HydrophobicContact CB-CD1 3.93Å; R135-I238 HydrophobicContact CG-CD1 3.83Å
136	L	97.9	Very high	96	Very high	19 Å²	19	46 Å²	46	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.8	177.1	-52.6	-174.4	0	0	0	111.3	F54 I55 R79 I126 I127 A133	F54-L136 WeakPolarHBondContact CA-O 3.31Å; F54-L136 HydrophobicContact CD1-CB 3.9Å; F54-L136 HydrophobicContact CE1-CB 4Å; F54-L136 HydrophobicContact CE1-CD1 4.21Å; I55-L136 PolarHBondContact N-O 3.32Å; R79-L136 HydrophobicContact CB-CD2 4.44Å; R79-L136 VanDerWaalsContact NH2-CD2 3.26Å; R79-L136 WeakPolarHBondContact O-CA 3.4Å; I126-L136 HydrophobicContact CG2-CB 3.64Å; I126-L136 HydrophobicContact CG2-CD1 4.25Å; I127-L136 HydrophobicContact CB-CD1 4.28Å; I127-L136 HydrophobicContact CG1-CD1 3.75Å; A133-L136 HydrophobicContact CB-CD2 3.94Å; A133-L136 WeakPolarHBondContact O-CD2 3.47Å
137	C	98.1	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.3	-173.8	158.7	0	0	0	0	111	I55 I57 I78 R79 C80	I55-C137 HydrophobicContact CB-CB 4.02Å; I55-C137 CarbonylContact O-C 3.48Å; I55-C137 WeakPolarHBondContact O-CA 3.25Å; I57-C137 VanDerWaalsContact CD1-SG 3.54Å; I78-C137 HydrophobicContact CG2-CB 4.23Å; R79-C137 PolarHBondContact O-N 3.5Å; C80-C137 WeakPolarHBondContact CA-O 3.32Å; C80-C137 HydrophobicContact CB-CB 3.66Å; C80-C137 WeakPolarHBondContact CB-SG 3.41Å; C80-C137 WeakPolarHBondContact SG-CB 3.41Å; C80-C137 CovalentContact SG-SG 2.04Å; C80-C137 PolarHBondContact SG-SG 2.79Å
138	H	98.1	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.7	176.3	174.9	-78.1	0	0	0	108.3	I55 F56 I57 P84 T87 F122 I126	I55-H138 PolarHBondContact O-N 2.78Å; F56-H138 CarbonylContact C-O 3.54Å; F56-H138 WeakPolarHBondContact CA-O 3.45Å; F56-H138 HydrophobicContact CD1-CB 3.68Å; F56-H138 AromaticContact CD1-CG 3.72Å; F56-H138 AromaticContact CD1-ND1 3.52Å; F56-H138 HydrophobicContact CE1-CB 3.77Å; F56-H138 AromaticContact CE1-CG 3.72Å; F56-H138 AromaticContact CE1-ND1 3.86Å; F56-H138 HydrophobicContact CG-CB 4.39Å; I57-H138 PolarHBondContact N-O 2.94Å; P84-H138 WeakPolarHBondContact CG-CD2 3.39Å; P84-H138 VanDerWaalsContact CG-NE2 3.3Å; P84-H138 WeakPolarHBondContact CG-NE2 3.48Å; T87-H138 PolarHBondContact OG1-NE2 2.98Å; F122-H138 AromaticContact CE1-NE2 3.82Å; I126-H138 HydrophobicContact CD1-CB 3.77Å; I126-H138 HydrophobicContact CG1-CB 3.96Å
139	K	98	Very high	96.3	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.2	173.5	-178	-87.4	-44.7	-161.9	0	110.4	I57 R69 E83 P84 E261	I57-K139 HydrophobicContact CB-CB 3.98Å; I57-K139 HydrophobicContact CB-CG 3.89Å; I57-K139 HydrophobicContact CD1-CB 4.4Å; I57-K139 HydrophobicContact CG2-CG 3.94Å; I57-K139 WeakPolarHBondContact O-CA 3.22Å; R69-K139 HydrophobicContact CB-CB 3.85Å; R69-K139 HydrophobicContact CB-CG 3.91Å; R69-K139 HydrophobicContact CG-CB 4.37Å; R69-K139 HydrophobicContact CG-CD 4.35Å; R69-K139 HydrophobicContact CG-CG 4.19Å; E83-K139 VanDerWaalsContact CD-NZ 3.3Å; E83-K139 HydrophobicContact CG-CD 4.07Å; E83-K139 VanDerWaalsContact CG-CE 3.43Å; E83-K139 IonicContact OE1-NZ 2.65Å; E83-K139 PolarHBondContact OE1-NZ 3.32Å; P84-K139 WeakPolarHBondContact CD-O 3.32Å; K139-E261 IonicContact NZ-OE2 2.71Å; K139-E261 PolarHBondContact NZ-OE2 3.31Å
140	Q	97.2	Very high	96.5	Very high	13 Å²	13	39 Å²	39	6%	0.061	20%	0.203	C	C	.	.			trans	-152.4	109.1	169.8	167.9	47.4	-102.3	0	0	107.5	I57 E83 T88 F142 T143	I57-Q140 PolarHBondContact O-N 3.29Å; E83-Q140 PolarHBondContact OE2-NE2 2.99Å; T88-Q140 WeakPolarHBondContact OG1-CG 3.45Å; Q140-F142 VanDerWaalsContact C-N 3.31Å; Q140-F142 PolarHBondContact O-N 3.45Å; Q140-F142 VanDerWaalsContact O-N 3.11Å; Q140-T143 HydrophobicContact CB-CG2 3.96Å; Q140-T143 HydrophobicContact CG-CG2 3.74Å; Q140-T143 PolarHBondContact O-N 2.87Å; Q140-T143 VanDerWaalsContact O-N 3.11Å; Q140-T143 PolarHBondContact O-OG1 3Å
141	P	96.9	Very high	96.8	Very high	6 Å²	6	38 Å²	38	4%	0.039	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-43.1	-52.4	-171.1	-31.8	33.8	0	0	0	114.5	G59 T65 T143 F144	G59-P141 PolarHBondContact N-O 2.81Å; G59-P141 CarbonylContact O-C 3.55Å; G59-P141 WeakPolarHBondContact O-CA 3.35Å; G59-P141 VanDerWaalsContact O-CB 3.29Å; G59-P141 WeakPolarHBondContact O-CB 3.5Å; T65-P141 HydrophobicContact CG2-CG 4.4Å; P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.45Å; P141-F144 PolarHBondContact O-N 3.08Å
142	F	95.4	Very high	97.1	Very high	54 Å²	54	35.6 Å²	35.6	24%	0.237	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-80.4	-4.3	-170.8	-72.4	-67.2	0	0	0	115.5	E61 T88 Q140 F144 Y145 I197 M201	E61-F142 HydrophobicContact CB-CE2 4.3Å; E61-F142 HydrophobicContact CG-CZ 4.47Å; E61-F142 WeakPolarHBondContact OE1-CZ 3.43Å; E61-F142 WeakPolarHBondContact OE2-CE2 3.33Å; T88-F142 HydrophobicContact CG2-CB 4.07Å; Q140-F142 VanDerWaalsContact C-N 3.31Å; Q140-F142 PolarHBondContact O-N 3.45Å; Q140-F142 VanDerWaalsContact O-N 3.11Å; F142-F144 PolarHBondContact O-N 3.41Å; F142-Y145 WeakPolarHBondContact O-CB 3.38Å; F142-Y145 PolarHBondContact O-N 3.07Å; F142-Y145 VanDerWaalsContact O-N 3.16Å; F142-I197 HydrophobicContact CE1-CD1 4.33Å; F142-M201 HydrophobicContact CD1-CE 4.39Å
143	T	97.9	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.3	-25.8	168.5	59	0	0	0	0	111.4	L91 Q140 P141 Y145 Y146 L150	L91-T143 HydrophobicContact CD1-CG2 3.77Å; Q140-T143 HydrophobicContact CB-CG2 3.96Å; Q140-T143 HydrophobicContact CG-CG2 3.74Å; Q140-T143 PolarHBondContact O-N 2.87Å; Q140-T143 VanDerWaalsContact O-N 3.11Å; Q140-T143 PolarHBondContact O-OG1 3Å; P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.45Å; T143-Y145 PolarHBondContact O-N 2.99Å; T143-Y146 CarbonylContact O-C 3.54Å; T143-Y146 WeakPolarHBondContact O-CA 3.46Å; T143-Y146 WeakPolarHBondContact O-CB 3.45Å; T143-Y146 PolarHBondContact O-N 3.49Å; T143-L150 WeakPolarHBondContact O-CD1 3.43Å
144	F	98.1	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-68.7	-14.1	176.4	-86.2	-132.2	0	0	0	113.5	F56 I57 G58 P141 F142 Y146 L147 F159 I160 H161 M201	F56-F144 HydrophobicContact CB-CE2 3.96Å; F56-F144 HydrophobicContact CB-CZ 4.36Å; F56-F144 WeakPolarHBondContact O-CZ 3.42Å; I57-F144 VanDerWaalsContact C-CE2 3.43Å; G58-F144 VanDerWaalsContact CA-CD2 3.41Å; G58-F144 VanDerWaalsContact N-CZ 3.31Å; P141-F144 PolarHBondContact O-N 3.08Å; F142-F144 PolarHBondContact O-N 3.41Å; F144-Y146 PolarHBondContact O-N 3.44Å; F144-L147 HydrophobicContact CB-CB 4.38Å; F144-L147 HydrophobicContact CD1-CD1 4.1Å; F144-L147 HydrophobicContact CD1-CD2 3.79Å; F144-L147 HydrophobicContact CD1-CG 4.36Å; F144-L147 HydrophobicContact CE1-CD1 4Å; F144-L147 HydrophobicContact CE1-CD2 4.08Å; F144-L147 HydrophobicContact CE2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CB 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.34Å; F144-L147 HydrophobicContact CG-CD2 4.49Å; F144-L147 HydrophobicContact CZ-CD1 4.19Å; F144-L147 WeakPolarHBondContact O-CB 3.12Å; F144-L147 PolarHBondContact O-N 3.46Å; F144-F159 HydrophobicContact CE1-CB 4.36Å; F144-F159 HydrophobicContact CE2-CD1 4.46Å; F144-F159 HydrophobicContact CZ-CB 4.02Å; F144-F159 HydrophobicContact CZ-CD1 4.26Å; F144-I160 WeakPolarHBondContact CE1-O 3.27Å; F144-I160 VanDerWaalsContact CZ-O 3.31Å; F144-I160 WeakPolarHBondContact CZ-O 3.38Å; F144-H161 HydrophobicContact CD1-CB 4.1Å; F144-H161 AromaticContact CD1-CD2 3.93Å; F144-H161 HydrophobicContact CE1-CB 3.77Å; F144-M201 HydrophobicContact CB-CE 3.98Å; F144-M201 HydrophobicContact CB-CG 4.06Å; F144-M201 HydrophobicContact CB-SD 4.04Å; F144-M201 WeakPolarHBondContact O-CG 3.35Å
145	Y	97.4	Very high	97.4	Very high	102 Å²	102	25.4 Å²	25.4	40%	0.4	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-59.7	-26.4	167	-174.7	-98	0	0	0	111.2	F142 T143 K200	F142-Y145 WeakPolarHBondContact O-CB 3.38Å; F142-Y145 PolarHBondContact O-N 3.07Å; F142-Y145 VanDerWaalsContact O-N 3.16Å; T143-Y145 PolarHBondContact O-N 2.99Å; Y145-K200 HydrophobicContact CD2-CD 3.92Å; Y145-K200 HydrophobicContact CE2-CD 3.7Å; Y145-K200 WeakPolarHBondContact O-CE 3.43Å; Y145-K200 PolarHBondContact O-NZ 3.19Å
146	Y	97.9	Very high	97.4	Very high	33 Å²	33	27.4 Å²	27.4	13%	0.129	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-106.4	24.4	176.1	-50.9	-89.6	0	0	0	112.2	L91 R92 K95 T143 F144 N148 Y149 L150	L91-Y146 HydrophobicContact CB-CD1 4.14Å; L91-Y146 HydrophobicContact CB-CD2 3.53Å; L91-Y146 HydrophobicContact CB-CE1 4.24Å; L91-Y146 HydrophobicContact CB-CE2 3.63Å; L91-Y146 HydrophobicContact CB-CG 3.79Å; L91-Y146 HydrophobicContact CD1-CD2 3.65Å; L91-Y146 HydrophobicContact CD1-CE2 4.4Å; L91-Y146 HydrophobicContact CD1-CG 4.03Å; L91-Y146 HydrophobicContact CD2-CG 4.36Å; L91-Y146 HydrophobicContact CG-CD2 4.15Å; L91-Y146 HydrophobicContact CG-CG 4.29Å; R92-Y146 WeakPolarHBondContact CA-OH 2.99Å; K95-Y146 HydrophobicContact CB-CE1 3.92Å; K95-Y146 HydrophobicContact CD-CE1 4.35Å; K95-Y146 HydrophobicContact CG-CE1 4.24Å; T143-Y146 CarbonylContact O-C 3.54Å; T143-Y146 WeakPolarHBondContact O-CA 3.46Å; T143-Y146 WeakPolarHBondContact O-CB 3.45Å; T143-Y146 PolarHBondContact O-N 3.49Å; F144-Y146 PolarHBondContact O-N 3.44Å; Y146-N148 VanDerWaalsContact C-N 3.34Å; Y146-N148 PolarHBondContact O-N 3.36Å; Y146-Y149 WeakPolarHBondContact O-CB 3.35Å; Y146-Y149 PolarHBondContact O-N 3.22Å; Y146-L150 PolarHBondContact O-N 2.93Å
147	L	98.3	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.3	-44.7	-172.3	176.3	59	0	0	0	112.7	F144 Y149 L150 S151 F159 D204 C205 I208	F144-L147 HydrophobicContact CB-CB 4.38Å; F144-L147 HydrophobicContact CD1-CD1 4.1Å; F144-L147 HydrophobicContact CD1-CD2 3.79Å; F144-L147 HydrophobicContact CD1-CG 4.36Å; F144-L147 HydrophobicContact CE1-CD1 4Å; F144-L147 HydrophobicContact CE1-CD2 4.08Å; F144-L147 HydrophobicContact CE2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CB 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.34Å; F144-L147 HydrophobicContact CG-CD2 4.49Å; F144-L147 HydrophobicContact CZ-CD1 4.19Å; F144-L147 WeakPolarHBondContact O-CB 3.12Å; F144-L147 PolarHBondContact O-N 3.46Å; L147-Y149 VanDerWaalsContact C-N 3.34Å; L147-Y149 PolarHBondContact O-N 2.94Å; L147-L150 PolarHBondContact O-N 3.28Å; L147-S151 PolarHBondContact O-N 2.89Å; L147-F159 HydrophobicContact CD1-CB 3.92Å; L147-F159 HydrophobicContact CD1-CD1 3.3Å; L147-F159 HydrophobicContact CD1-CD2 4.37Å; L147-F159 HydrophobicContact CD1-CE1 3.93Å; L147-F159 HydrophobicContact CD1-CG 3.6Å; L147-D204 HydrophobicContact CB-CB 3.9Å; L147-D204 HydrophobicContact CD2-CB 3.93Å; L147-D204 HydrophobicContact CG-CB 4.04Å; L147-C205 HydrophobicContact CD2-CB 3.81Å; L147-I208 HydrophobicContact CD1-CD1 3.83Å; L147-I208 HydrophobicContact CD2-CD1 4.11Å; L147-I208 HydrophobicContact CG-CD1 3.53Å
148	N	97.1	Very high	97.5	Very high	63 Å²	63	27.7 Å²	27.7	34%	0.337	13%	0.134	S	C	.	.	H	α-helix	trans	-55.7	-47.8	175.4	-172.4	1.5	0	0	0	111.9	Y146 L150 S151 E152 D204	Y146-N148 VanDerWaalsContact C-N 3.34Å; Y146-N148 PolarHBondContact O-N 3.36Å; N148-L150 PolarHBondContact O-N 3Å; N148-S151 PolarHBondContact O-N 3.04Å; N148-S151 PolarHBondContact O-OG 2.79Å; N148-E152 PolarHBondContact O-N 3.03Å; N148-E152 VanDerWaalsContact O-N 3.1Å; N148-D204 HydrophobicContact CB-CB 4.4Å; N148-D204 PolarHBondContact N-OD2 3.04Å
149	Y	97.3	Very high	97.5	Very high	18 Å²	18	27.7 Å²	27.7	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-40.6	177.8	177	-118.3	0	0	0	112.9	L91 K94 N115 I118 Y146 L147 S151 E152 I153	L91-Y149 HydrophobicContact CD2-CD1 3.78Å; L91-Y149 HydrophobicContact CD2-CE1 3.95Å; K94-Y149 HydrophobicContact CD-CE1 4.17Å; K94-Y149 HydrophobicContact CG-CE1 4.09Å; K94-Y149 VanDerWaalsContact NZ-CZ 3.33Å; N115-Y149 WeakPolarHBondContact OD1-CE2 3.48Å; N115-Y149 PolarHBondContact OD1-OH 3.49Å; I118-Y149 HydrophobicContact CG2-CE1 4.23Å; Y146-Y149 WeakPolarHBondContact O-CB 3.35Å; Y146-Y149 PolarHBondContact O-N 3.22Å; L147-Y149 VanDerWaalsContact C-N 3.34Å; L147-Y149 PolarHBondContact O-N 2.94Å; Y149-S151 VanDerWaalsContact C-N 3.25Å; Y149-S151 PolarHBondContact O-N 3.28Å; Y149-E152 WeakPolarHBondContact O-CB 3.46Å; Y149-E152 PolarHBondContact O-N 3.39Å; Y149-I153 HydrophobicContact CD2-CG2 4.08Å; Y149-I153 HydrophobicContact CE1-CD1 4.14Å; Y149-I153 HydrophobicContact CE1-CG2 4.31Å; Y149-I153 HydrophobicContact CE2-CG2 3.46Å; Y149-I153 VanDerWaalsContact CE2-CG2 3.46Å; Y149-I153 PolarHBondContact O-N 3.35Å; Y149-I153 VanDerWaalsContact O-N 3.09Å
150	L	98.3	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-38.1	175.2	-70.1	171.2	0	0	0	111.7	L91 F122 T143 Y146 L147 N148 E152 I153 F154 F159	L91-L150 HydrophobicContact CD1-CD1 4.4Å; L91-L150 HydrophobicContact CD1-CD2 4.29Å; L91-L150 HydrophobicContact CD2-CD2 4.1Å; F122-L150 HydrophobicContact CE1-CD2 4Å; F122-L150 HydrophobicContact CZ-CD2 4.07Å; T143-L150 WeakPolarHBondContact O-CD1 3.43Å; Y146-L150 PolarHBondContact O-N 2.93Å; L147-L150 PolarHBondContact O-N 3.28Å; N148-L150 PolarHBondContact O-N 3Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-I153 HydrophobicContact CD2-CD1 4.26Å; L150-I153 WeakPolarHBondContact O-CG1 3.45Å; L150-I153 PolarHBondContact O-N 3.27Å; L150-F154 HydrophobicContact CD2-CD2 4.49Å; L150-F154 WeakPolarHBondContact O-CB 2.84Å; L150-F154 PolarHBondContact O-N 3.38Å; L150-F159 HydrophobicContact CB-CE1 3.85Å; L150-F159 HydrophobicContact CB-CZ 4.26Å
151	S	97.9	Very high	97.6	Very high	13 Å²	13	27 Å²	27	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-69.3	-31.2	178	83.1	0	0	0	0	113.8	L147 N148 Y149 I208 R212	L147-S151 PolarHBondContact O-N 2.89Å; N148-S151 PolarHBondContact O-N 3.04Å; N148-S151 PolarHBondContact O-OG 2.79Å; Y149-S151 VanDerWaalsContact C-N 3.25Å; Y149-S151 PolarHBondContact O-N 3.28Å; S151-I208 WeakPolarHBondContact OG-CG1 3.1Å; S151-R212 PolarHBondContact O-NH1 3.42Å; S151-R212 PolarHBondContact O-NH2 2.91Å
152	E	96.6	Very high	97.7	Very high	111 Å²	111	26.8 Å²	26.8	52%	0.519	13%	0.129	S	C	.	.	H	α-helix	trans	-68.3	-46.3	173.8	-174.2	-162.8	141.4	0	0	110.7	N115 N148 Y149 L150	N115-E152 PolarHBondContact ND2-OE1 3.27Å; N115-E152 VanDerWaalsContact ND2-OE1 3.09Å; N148-E152 PolarHBondContact O-N 3.03Å; N148-E152 VanDerWaalsContact O-N 3.1Å; Y149-E152 WeakPolarHBondContact O-CB 3.46Å; Y149-E152 PolarHBondContact O-N 3.39Å; L150-E152 VanDerWaalsContact C-N 3.35Å
153	I	96.5	Very high	97.8	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-80	-36.3	-176.1	69.2	175.8	0	0	0	112.9	R50 N115 I118 Y149 L150 V155	R50-I153 WeakPolarHBondContact CA-O 3.25Å; R50-I153 WeakPolarHBondContact CB-O 3.41Å; R50-I153 WeakPolarHBondContact CG-O 3.45Å; N115-I153 HydrophobicContact CB-CG2 3.83Å; I118-I153 HydrophobicContact CG2-CD1 3.89Å; Y149-I153 HydrophobicContact CD2-CG2 4.08Å; Y149-I153 HydrophobicContact CE1-CD1 4.14Å; Y149-I153 HydrophobicContact CE1-CG2 4.31Å; Y149-I153 HydrophobicContact CE2-CG2 3.46Å; Y149-I153 VanDerWaalsContact CE2-CG2 3.46Å; Y149-I153 PolarHBondContact O-N 3.35Å; Y149-I153 VanDerWaalsContact O-N 3.09Å; L150-I153 HydrophobicContact CD2-CD1 4.26Å; L150-I153 WeakPolarHBondContact O-CG1 3.45Å; L150-I153 PolarHBondContact O-N 3.27Å; I153-V155 PolarHBondContact O-N 3.44Å
154	F	97.9	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.			trans	-102.1	76.2	-179.8	-72.7	-68.3	0	0	0	111	R50 F54 F56 A119 F122 L150 N156 A157 R212	R50-F154 CarbonylContact O-C 3.59Å; R50-F154 WeakPolarHBondContact O-CA 3.06Å; F54-F154 AromaticContact CD2-CD1 3.98Å; F54-F154 HydrophobicContact CD2-CD1 3.98Å; F54-F154 AromaticContact CD2-CE1 3.83Å; F54-F154 HydrophobicContact CD2-CE1 3.83Å; F54-F154 HydrophobicContact CD2-CZ 4.42Å; F54-F154 HydrophobicContact CE2-CD1 4.32Å; F54-F154 AromaticContact CE2-CE1 3.77Å; F54-F154 HydrophobicContact CE2-CE1 3.77Å; F54-F154 HydrophobicContact CE2-CZ 4.38Å; F56-F154 HydrophobicContact CE1-CE2 4.45Å; F56-F154 HydrophobicContact CE2-CB 4.24Å; F56-F154 AromaticContact CE2-CD2 3.75Å; F56-F154 HydrophobicContact CE2-CD2 3.75Å; F56-F154 HydrophobicContact CE2-CE2 4.29Å; F56-F154 AromaticContact CE2-CG 3.96Å; F56-F154 HydrophobicContact CE2-CG 3.96Å; F56-F154 AromaticContact CZ-CD2 3.5Å; F56-F154 HydrophobicContact CZ-CD2 3.5Å; F56-F154 VanDerWaalsContact CZ-CD2 3.5Å; F56-F154 AromaticContact CZ-CE2 3.59Å; F56-F154 HydrophobicContact CZ-CE2 3.59Å; F56-F154 HydrophobicContact CZ-CG 4.1Å; F56-F154 HydrophobicContact CZ-CZ 4.26Å; A119-F154 HydrophobicContact CB-CE1 4.19Å; A119-F154 HydrophobicContact CB-CZ 4.15Å; F122-F154 HydrophobicContact CB-CE2 3.85Å; F122-F154 HydrophobicContact CB-CZ 3.5Å; F122-F154 VanDerWaalsContact CB-CZ 3.5Å; F122-F154 HydrophobicContact CD1-CE2 4.21Å; F122-F154 HydrophobicContact CG-CE2 4.11Å; F122-F154 HydrophobicContact CG-CZ 4.26Å; L150-F154 HydrophobicContact CD2-CD2 4.49Å; L150-F154 WeakPolarHBondContact O-CB 2.84Å; L150-F154 PolarHBondContact O-N 3.38Å; F154-N156 PolarHBondContact O-N 3.3Å; F154-N156 VanDerWaalsContact O-N 3.08Å; F154-A157 HydrophobicContact CB-CB 3.58Å; F154-A157 WeakPolarHBondContact O-CB 3.06Å; F154-A157 PolarHBondContact O-N 2.94Å; F154-R212 PolarHBondContact O-NH2 3.01Å
155	V	96.4	Very high	97.8	Very high	65 Å²	65	24.9 Å²	24.9	39%	0.394	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	-168.8	-62	0	0	0	0	114.7	R50 K51 I153 R212	R50-V155 PolarHBondContact O-N 3.2Å; R50-V155 VanDerWaalsContact O-N 3.1Å; K51-V155 HydrophobicContact CG-CG2 4.31Å; I153-V155 PolarHBondContact O-N 3.44Å; V155-R212 PolarHBondContact O-NE 3.3Å; V155-R212 PolarHBondContact O-NH1 2.89Å; V155-R212 PolarHBondContact O-NH2 3.2Å
156	N	97	Very high	97.8	Very high	76 Å²	76	20 Å²	20	41%	0.406	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.5	179.4	-66.9	-12.6	0	0	0	113.8	K51 N53 F154	K51-N156 PolarHBondContact O-ND2 3.02Å; N53-N156 WeakPolarHBondContact OD1-CB 3.28Å; F154-N156 PolarHBondContact O-N 3.3Å; F154-N156 VanDerWaalsContact O-N 3.08Å
157	A	98.3	Very high	97.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.			trans	-74.8	151.5	-179	0	0	0	0	0	112.4	F54 F56 F154 F159 R212	F54-A157 HydrophobicContact CB-CB 4.38Å; F54-A157 WeakPolarHBondContact O-CA 3.13Å; F54-A157 WeakPolarHBondContact O-CB 3.27Å; F56-A157 HydrophobicContact CD2-CB 3.83Å; F56-A157 HydrophobicContact CE2-CB 3.79Å; F154-A157 HydrophobicContact CB-CB 3.58Å; F154-A157 WeakPolarHBondContact O-CB 3.06Å; F154-A157 PolarHBondContact O-N 2.94Å; A157-F159 HydrophobicContact CB-CE2 4.27Å; A157-F159 HydrophobicContact CB-CZ 4.03Å; A157-R212 PolarHBondContact O-NE 3.07Å
158	K	98.6	Very high	97.8	Very high	25 Å²	25	18.7 Å²	18.7	11%	0.109	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.8	170.8	-71.1	-176.3	179.1	172.4	0	110.3	F54 I55 F56 R212 F235 L236 D237	F54-K158 PolarHBondContact O-N 2.86Å; I55-K158 CarbonylContact C-O 3.5Å; I55-K158 WeakPolarHBondContact CA-O 3.49Å; F56-K158 PolarHBondContact N-O 3.14Å; K158-R212 CarbonylContact C-O 3.54Å; K158-R212 WeakPolarHBondContact CA-O 3.31Å; K158-F235 HydrophobicContact CB-CE1 3.85Å; K158-F235 HydrophobicContact CB-CZ 3.78Å; K158-F235 HydrophobicContact CD-CE1 4.21Å; K158-F235 HydrophobicContact CD-CE2 4.38Å; K158-F235 HydrophobicContact CD-CZ 4.11Å; K158-F235 VanDerWaalsContact CD-O 3.25Å; K158-F235 WeakPolarHBondContact CD-O 3.18Å; K158-F235 VanDerWaalsContact CE-O 3.27Å; K158-F235 WeakPolarHBondContact CE-O 3.21Å; K158-F235 HydrophobicContact CG-CE1 4.41Å; K158-F235 HydrophobicContact CG-CZ 4.07Å; K158-F235 PolarHBondContact NZ-O 3.19Å; K158-L236 HydrophobicContact CB-CD2 4.1Å; K158-L236 HydrophobicContact CD-CD2 4.18Å; K158-L236 PolarHBondContact NZ-O 2.86Å; K158-D237 IonicContact NZ-OD1 3.58Å; K158-D237 IonicContact NZ-OD2 3.69Å; K158-D237 PolarHBondContact NZ-OD2 3.05Å
159	F	98.8	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.6	-172.8	-57.9	-87.5	0	0	0	110.2	F56 F144 L147 L150 A157 I208 R212 C213 L214	F56-F159 HydrophobicContact CB-CD1 3.51Å; F56-F159 HydrophobicContact CB-CE1 3.82Å; F56-F159 HydrophobicContact CB-CG 4.47Å; F56-F159 HydrophobicContact CD2-CD1 4.2Å; F56-F159 AromaticContact CD2-CE1 3.69Å; F56-F159 HydrophobicContact CD2-CE1 3.69Å; F56-F159 HydrophobicContact CD2-CZ 4.29Å; F56-F159 HydrophobicContact CE2-CE1 4.44Å; F56-F159 HydrophobicContact CG-CD1 4.07Å; F56-F159 AromaticContact CG-CE1 3.83Å; F56-F159 HydrophobicContact CG-CE1 3.83Å; F56-F159 CarbonylContact O-C 3.53Å; F56-F159 WeakPolarHBondContact O-CA 3.45Å; F144-F159 HydrophobicContact CE1-CB 4.36Å; F144-F159 HydrophobicContact CE2-CD1 4.46Å; F144-F159 HydrophobicContact CZ-CB 4.02Å; F144-F159 HydrophobicContact CZ-CD1 4.26Å; L147-F159 HydrophobicContact CD1-CB 3.92Å; L147-F159 HydrophobicContact CD1-CD1 3.3Å; L147-F159 HydrophobicContact CD1-CD2 4.37Å; L147-F159 HydrophobicContact CD1-CE1 3.93Å; L147-F159 HydrophobicContact CD1-CG 3.6Å; L150-F159 HydrophobicContact CB-CE1 3.85Å; L150-F159 HydrophobicContact CB-CZ 4.26Å; A157-F159 HydrophobicContact CB-CE2 4.27Å; A157-F159 HydrophobicContact CB-CZ 4.03Å; F159-I208 HydrophobicContact CD2-CG2 4.46Å; F159-R212 WeakPolarHBondContact CD2-O 3.4Å; F159-R212 PolarHBondContact N-O 2.89Å; F159-C213 HydrophobicContact CB-CB 4.13Å; F159-C213 CarbonylContact O-C 3.18Å; F159-C213 WeakPolarHBondContact O-CA 3.33Å; F159-L214 PolarHBondContact O-N 3.06Å
160	I	98.7	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.9	173.3	-61.1	168.9	0	0	0	108.1	I55 F56 I57 G58 M68 L72 F144 M162 L214 I216 I232 F235 L236	I55-I160 HydrophobicContact CG2-CD1 4.01Å; F56-I160 PolarHBondContact O-N 3.44Å; I57-I160 WeakPolarHBondContact CA-O 2.98Å; I57-I160 HydrophobicContact CG1-CB 4.4Å; G58-I160 PolarHBondContact N-O 3.06Å; G58-I160 VanDerWaalsContact N-O 3.13Å; M68-I160 HydrophobicContact CE-CG2 4.1Å; M68-I160 HydrophobicContact CG-CG2 3.97Å; M68-I160 HydrophobicContact SD-CG2 4.18Å; L72-I160 HydrophobicContact CD1-CD1 3.87Å; F144-I160 WeakPolarHBondContact CE1-O 3.27Å; F144-I160 VanDerWaalsContact CZ-O 3.31Å; F144-I160 WeakPolarHBondContact CZ-O 3.38Å; I160-M162 HydrophobicContact CG2-SD 4.18Å; I160-L214 CarbonylContact C-O 3.45Å; I160-L214 WeakPolarHBondContact CA-O 3.37Å; I160-I216 HydrophobicContact CG2-CG1 4.3Å; I160-I232 HydrophobicContact CD1-CG2 3.79Å; I160-F235 HydrophobicContact CG1-CE1 4.1Å; I160-L236 HydrophobicContact CD1-CD1 4.23Å; I160-L236 HydrophobicContact CD1-CD2 4.29Å
161	H	98.6	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.7	-179.8	177.7	-144.1	0	0	0	110.5	F144 V163 M201 L202 C205 L214 T215 I216	F144-H161 HydrophobicContact CD1-CB 4.1Å; F144-H161 AromaticContact CD1-CD2 3.93Å; F144-H161 HydrophobicContact CE1-CB 3.77Å; H161-V163 WeakPolarHBondContact CE1-CG1 3.41Å; H161-M201 WeakPolarHBondContact NE2-CB 3.21Å; H161-L202 PolarHBondContact CE1-N 3.1Å; H161-C205 HydrophobicContact CB-CB 4.44Å; H161-L214 PolarHBondContact N-O 3.49Å; H161-T215 PolarHBondContact ND1-OG1 3.42Å; H161-T215 CarbonylContact O-C 3.23Å; H161-T215 VanDerWaalsContact O-CA 3.27Å; H161-T215 WeakPolarHBondContact O-CA 3.29Å; H161-I216 PolarHBondContact O-N 3.08Å
162	M	98.6	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.9	175.4	-63.3	-55.3	-61	0	0	111	I57 G58 T65 M68 I160 I216 L221	I57-M162 HydrophobicContact CG2-CG 4.38Å; G58-M162 PolarHBondContact O-N 3.36Å; T65-M162 HydrophobicContact CG2-CB 3.82Å; T65-M162 HydrophobicContact CG2-CG 3.94Å; M68-M162 HydrophobicContact CB-CE 4.42Å; M68-M162 HydrophobicContact CB-CG 4.1Å; M68-M162 HydrophobicContact CB-SD 3.82Å; M68-M162 HydrophobicContact CE-CE 3.96Å; M68-M162 HydrophobicContact CE-SD 3.31Å; M68-M162 WeakPolarHBondContact CE-SD 3.45Å; M68-M162 HydrophobicContact CG-CG 4.35Å; M68-M162 HydrophobicContact CG-SD 3.83Å; M68-M162 HydrophobicContact SD-SD 4.44Å; I160-M162 HydrophobicContact CG2-SD 4.18Å; M162-I216 HydrophobicContact CE-CB 4.37Å; M162-I216 HydrophobicContact CE-CG2 4.1Å; M162-I216 HydrophobicContact SD-CB 3.94Å; M162-I216 HydrophobicContact SD-CG2 4.22Å; M162-L221 HydrophobicContact CE-CD2 4.03Å
163	V	98.3	Very high	97.7	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.4	170.2	-64.8	0	0	0	0	109.9	H161 T198 T215 I216 R217 Y218 L304 L321	H161-V163 WeakPolarHBondContact CE1-CG1 3.41Å; V163-T198 HydrophobicContact CG1-CG2 4.09Å; V163-T215 HydrophobicContact CB-CG2 4.39Å; V163-T215 HydrophobicContact CG1-CG2 3.82Å; V163-T215 HydrophobicContact CG2-CG2 3.63Å; V163-I216 WeakPolarHBondContact CG2-O 3.36Å; V163-I216 PolarHBondContact N-O 3.46Å; V163-R217 HydrophobicContact CG2-CB 4.34Å; V163-R217 HydrophobicContact CG2-CG 3.65Å; V163-R217 CarbonylContact O-C 3.54Å; V163-R217 WeakPolarHBondContact O-CA 3.29Å; V163-Y218 PolarHBondContact O-N 3.4Å; V163-L304 HydrophobicContact CB-CD1 4.43Å; V163-L304 HydrophobicContact CG2-CD2 4.23Å; V163-L321 HydrophobicContact CG2-CD2 4.46Å
164	R	98.2	Very high	97.7	Very high	14 Å²	14	11.3 Å²	11.3	5%	0.053	6%	0.063	C	C	.	.			trans	-150.2	158.4	-179.4	-175.6	178.1	-175.7	167.6	8	108.9	S62 G166 A168 V169 W194 Y218 E219 S275	S62-R164 VanDerWaalsContact O-CD 3.26Å; S62-R164 WeakPolarHBondContact O-CD 3.39Å; S62-R164 PolarHBondContact O-NH1 3.11Å; R164-G166 PolarHBondContact O-N 3.21Å; R164-G166 VanDerWaalsContact O-N 3.12Å; R164-A168 HydrophobicContact CG-CB 4.31Å; R164-V169 HydrophobicContact CB-CG2 3.73Å; R164-V169 HydrophobicContact CG-CG2 4.05Å; R164-W194 WeakPolarHBondContact O-CZ2 3.26Å; R164-Y218 HydrophobicContact CG-CD1 3.94Å; R164-Y218 HydrophobicContact CG-CG 4.17Å; R164-Y218 VanDerWaalsContact CZ-CE1 3.42Å; R164-Y218 VanDerWaalsContact NH2-CE1 3.33Å; R164-E219 WeakPolarHBondContact CG-OE1 3.37Å; R164-S275 PolarHBondContact NH2-O 3.24Å; R164-S275 PolarHBondContact NH2-OG 3.22Å
165	D	97.7	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.			trans	-51.1	119.7	170.8	-168.5	-37.3	0	0	0	110.4	R167 A168 V169 E219 W279 Y306 Y315	D165-R167 PolarHBondContact O-N 2.71Å; D165-R167 VanDerWaalsContact O-N 3.13Å; D165-R167 WeakPolarHBondContact OD1-CB 2.82Å; D165-R167 IonicContact OD1-CZ 2.72Å; D165-R167 PolarHBondContact OD1-N 2.96Å; D165-R167 IonicContact OD1-NE 2.8Å; D165-R167 PolarHBondContact OD1-NE 3.23Å; D165-R167 IonicContact OD1-NH2 2.66Å; D165-R167 IonicContact OD2-CZ 3.19Å; D165-R167 IonicContact OD2-NE 3.68Å; D165-R167 PolarHBondContact OD2-NE 2.78Å; D165-R167 IonicContact OD2-NH2 2.73Å; D165-R167 PolarHBondContact OD2-NH2 2.8Å; D165-A168 HydrophobicContact CB-CB 4.24Å; D165-A168 WeakPolarHBondContact O-CA 3.39Å; D165-A168 VanDerWaalsContact O-CB 3.32Å; D165-A168 WeakPolarHBondContact O-CB 3.2Å; D165-A168 PolarHBondContact O-N 2.94Å; D165-V169 PolarHBondContact O-N 3.45Å; D165-E219 PolarHBondContact N-OE1 3.4Å; D165-E219 VanDerWaalsContact N-OE1 3.09Å; D165-W279 WeakPolarHBondContact OD2-CZ2 2.91Å; D165-Y306 HydrophobicContact CB-CD1 4.19Å; D165-Y306 HydrophobicContact CB-CE1 4.2Å; D165-Y306 HydrophobicContact CB-CG 4.41Å; D165-Y315 HydrophobicContact CB-CE1 4.29Å; D165-Y315 WeakPolarHBondContact CB-OH 3.42Å; D165-Y315 PolarHBondContact OD2-OH 3.3Å
166	G	97.4	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.7	-33	-176.8	0	0	0	0	0	112.7	R164 A168 V169 I170	R164-G166 PolarHBondContact O-N 3.21Å; R164-G166 VanDerWaalsContact O-N 3.12Å; G166-A168 VanDerWaalsContact C-N 3.35Å; G166-A168 PolarHBondContact O-N 2.97Å; G166-V169 PolarHBondContact O-N 3.21Å; G166-I170 VanDerWaalsContact O-CG1 3.3Å; G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 2.68Å
167	R	97	Very high	97.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.9	-60.8	165.1	-66.9	-172.1	-6.5	111.2	D165 A171 W279 L286 F290 I294 H295	D165-R167 PolarHBondContact O-N 2.71Å; D165-R167 VanDerWaalsContact O-N 3.13Å; D165-R167 WeakPolarHBondContact OD1-CB 2.82Å; D165-R167 IonicContact OD1-CZ 2.72Å; D165-R167 PolarHBondContact OD1-N 2.96Å; D165-R167 IonicContact OD1-NE 2.8Å; D165-R167 PolarHBondContact OD1-NE 3.23Å; D165-R167 IonicContact OD1-NH2 2.66Å; D165-R167 IonicContact OD2-CZ 3.19Å; D165-R167 IonicContact OD2-NE 3.68Å; D165-R167 PolarHBondContact OD2-NE 2.78Å; D165-R167 IonicContact OD2-NH2 2.73Å; D165-R167 PolarHBondContact OD2-NH2 2.8Å; R167-A171 WeakPolarHBondContact O-CB 3.4Å; R167-A171 PolarHBondContact O-N 2.81Å; R167-A171 VanDerWaalsContact O-N 3.07Å; R167-W279 HydrophobicContact CB-CD2 3.76Å; R167-W279 HydrophobicContact CB-CE3 3.38Å; R167-W279 HydrophobicContact CB-CH2 4.05Å; R167-W279 HydrophobicContact CB-CZ2 4.32Å; R167-W279 HydrophobicContact CB-CZ3 3.54Å; R167-W279 HydrophobicContact CG-CE3 4.31Å; R167-W279 HydrophobicContact CG-CH2 4.44Å; R167-W279 HydrophobicContact CG-CZ3 4.01Å; R167-L286 WeakPolarHBondContact O-CD1 3.46Å; R167-F290 HydrophobicContact CG-CE1 4.25Å; R167-I294 HydrophobicContact CG-CG2 3.61Å; R167-H295 PolarHBondContact NH1-ND1 3.06Å
168	A	97.7	Very high	96.9	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-38.8	173.8	0	0	0	0	0	112.2	R164 D165 G166 S172 W279	R164-A168 HydrophobicContact CG-CB 4.31Å; D165-A168 HydrophobicContact CB-CB 4.24Å; D165-A168 WeakPolarHBondContact O-CA 3.39Å; D165-A168 VanDerWaalsContact O-CB 3.32Å; D165-A168 WeakPolarHBondContact O-CB 3.2Å; D165-A168 PolarHBondContact O-N 2.94Å; G166-A168 VanDerWaalsContact C-N 3.35Å; G166-A168 PolarHBondContact O-N 2.97Å; A168-S172 WeakPolarHBondContact O-CB 3.33Å; A168-S172 PolarHBondContact O-N 3.02Å; A168-W279 HydrophobicContact CB-CG 3.99Å
169	V	97.8	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-49.2	177.6	171.5	0	0	0	0	111.3	H60 E61 R164 D165 G166 S172 S173 W194	H60-V169 WeakPolarHBondContact ND1-CG1 3.23Å; E61-V169 WeakPolarHBondContact O-CG1 3.5Å; R164-V169 HydrophobicContact CB-CG2 3.73Å; R164-V169 HydrophobicContact CG-CG2 4.05Å; D165-V169 PolarHBondContact O-N 3.45Å; G166-V169 PolarHBondContact O-N 3.21Å; V169-S172 PolarHBondContact O-N 3.39Å; V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.34Å; V169-S173 PolarHBondContact O-N 3Å; V169-S173 PolarHBondContact O-OG 3.14Å; V169-W194 VanDerWaalsContact CG1-CD1 3.49Å; V169-W194 HydrophobicContact CG1-CG 4.4Å
170	I	97.3	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-51.6	178.7	-58.4	-42.1	0	0	0	109.9	G166 S172 S173 I174 Y182 A190 F191 W194 L286	G166-I170 VanDerWaalsContact O-CG1 3.3Å; G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 2.68Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.3Å; I170-S173 PolarHBondContact O-N 2.04Å; I170-S173 VanDerWaalsContact O-N 3.15Å; I170-I174 HydrophobicContact CG2-CD1 3.64Å; I170-I174 HydrophobicContact CG2-CG1 4.2Å; I170-I174 VanDerWaalsContact O-CG1 3.31Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 3.35Å; I170-Y182 HydrophobicContact CD1-CD2 3.67Å; I170-Y182 HydrophobicContact CD1-CE2 3.28Å; I170-A190 HydrophobicContact CD1-CB 3.96Å; I170-A190 WeakPolarHBondContact CD1-O 3.39Å; I170-A190 HydrophobicContact CG1-CB 4.33Å; I170-A190 HydrophobicContact CG2-CB 3.74Å; I170-F191 HydrophobicContact CG1-CB 4.43Å; I170-W194 HydrophobicContact CD1-CB 3.72Å; I170-W194 HydrophobicContact CD1-CG 4.33Å; I170-L286 HydrophobicContact CB-CD2 4.45Å; I170-L286 HydrophobicContact CG2-CD2 3.82Å
171	A	97.2	Very high	95.9	Very high	9 Å²	9	32.7 Å²	32.7	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-46	179.6	0	0	0	0	0	112.5	R167 K175 W279 I285 L286	R167-A171 WeakPolarHBondContact O-CB 3.4Å; R167-A171 PolarHBondContact O-N 2.81Å; R167-A171 VanDerWaalsContact O-N 3.07Å; A171-K175 VanDerWaalsContact O-CB 3.26Å; A171-K175 WeakPolarHBondContact O-CB 3.4Å; A171-K175 PolarHBondContact O-N 3.26Å; A171-W279 HydrophobicContact CB-CB 3.58Å; A171-I285 HydrophobicContact CB-CG2 4.17Å; A171-L286 HydrophobicContact CB-CD1 3.74Å; A171-L286 HydrophobicContact CB-CG 4.01Å
172	S	96.9	Very high	95.7	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-38.6	179.1	-179.5	0	0	0	0	112.6	A168 V169 I170 R176	A168-S172 WeakPolarHBondContact O-CB 3.33Å; A168-S172 PolarHBondContact O-N 3.02Å; V169-S172 PolarHBondContact O-N 3.39Å; I170-S172 VanDerWaalsContact C-N 3.33Å; I170-S172 PolarHBondContact O-N 3.3Å; S172-R176 WeakPolarHBondContact O-CB 3.03Å; S172-R176 WeakPolarHBondContact O-CG 3.45Å; S172-R176 PolarHBondContact O-N 3.11Å; S172-R176 VanDerWaalsContact O-N 3.14Å; S172-R176 PolarHBondContact O-NE 3.38Å; S172-R176 PolarHBondContact OG-NE 3.28Å; S172-R176 PolarHBondContact OG-NH2 3.41Å
173	S	96.5	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.5	-39.5	-178.5	-56.7	0	0	0	0	111.8	S62 V169 I170 A177 V178	S62-S173 WeakPolarHBondContact CB-OG 3.16Å; S62-S173 PolarHBondContact OG-OG 2.89Å; V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.34Å; V169-S173 PolarHBondContact O-N 3Å; V169-S173 PolarHBondContact O-OG 3.14Å; I170-S173 PolarHBondContact O-N 2.04Å; I170-S173 VanDerWaalsContact O-N 3.15Å; S173-A177 WeakPolarHBondContact O-CA 3.35Å; S173-A177 PolarHBondContact O-N 2.96Å; S173-V178 PolarHBondContact O-N 2.84Å
174	I	96	Very high	95.2	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.108	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-53.6	173.4	-59.2	169.1	0	0	0	109.7	I170 R176 A177 I285 L286	I170-I174 HydrophobicContact CG2-CD1 3.64Å; I170-I174 HydrophobicContact CG2-CG1 4.2Å; I170-I174 VanDerWaalsContact O-CG1 3.31Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 3.35Å; I174-R176 PolarHBondContact O-N 2.85Å; I174-R176 VanDerWaalsContact O-N 3.13Å; I174-A177 PolarHBondContact O-N 3.33Å; I174-I285 HydrophobicContact CB-CD1 4.24Å; I174-I285 HydrophobicContact CB-CG2 4.41Å; I174-I285 HydrophobicContact CG2-CD1 3.4Å; I174-I285 HydrophobicContact CG2-CG1 3.97Å; I174-L286 HydrophobicContact CD1-CD2 3.87Å
175	K	94.7	Very high	95	Very high	168 Å²	168	43.3 Å²	43.3	73%	0.73	25%	0.247	S	C	*	.	H	α-helix	trans	-57.6	-32.6	-176.3	-178.6	174.3	-179.4	173.3	0	113.2	A171	A171-K175 VanDerWaalsContact O-CB 3.26Å; A171-K175 WeakPolarHBondContact O-CB 3.4Å; A171-K175 PolarHBondContact O-N 3.26Å
176	R	93.3	Very high	94.9	Very high	68 Å²	68	48.7 Å²	48.7	26%	0.257	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	4	-178	-62.8	-172.2	-59.2	140.2	6.5	113.6	S62 S172 I174 V178 A262 Q266	S62-R176 PolarHBondContact OG-NH2 2.7Å; S172-R176 WeakPolarHBondContact O-CB 3.03Å; S172-R176 WeakPolarHBondContact O-CG 3.45Å; S172-R176 PolarHBondContact O-N 3.11Å; S172-R176 VanDerWaalsContact O-N 3.14Å; S172-R176 PolarHBondContact O-NE 3.38Å; S172-R176 PolarHBondContact OG-NE 3.28Å; S172-R176 PolarHBondContact OG-NH2 3.41Å; I174-R176 PolarHBondContact O-N 2.85Å; I174-R176 VanDerWaalsContact O-N 3.13Å; R176-V178 HydrophobicContact CB-CG2 3.71Å; R176-V178 PolarHBondContact O-N 3.13Å; R176-A262 PolarHBondContact NH1-O 3.09Å; R176-Q266 VanDerWaalsContact NH1-OE1 3.09Å
177	A	93.2	Very high	94.9	Very high	85 Å²	85	49.1 Å²	49.1	70%	0.702	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	40	-175.5	0	0	0	0	0	113.6	S173 I174	S173-A177 WeakPolarHBondContact O-CA 3.35Å; S173-A177 PolarHBondContact O-N 2.96Å; I174-A177 PolarHBondContact O-N 3.33Å
178	V	92.4	Very high	94.9	Very high	42 Å²	42	53 Å²	53	26%	0.255	29%	0.288	S	S	.	.			trans	-75.5	-45.3	-177.2	-179.6	0	0	0	0	110.7	E61 S173 R176 A262	E61-V178 HydrophobicContact CB-CG1 4.1Å; E61-V178 HydrophobicContact CG-CG1 3.85Å; E61-V178 WeakPolarHBondContact OE2-CG1 3.27Å; S173-V178 PolarHBondContact O-N 2.84Å; R176-V178 HydrophobicContact CB-CG2 3.71Å; R176-V178 PolarHBondContact O-N 3.13Å; V178-A262 HydrophobicContact CG2-CB 3.97Å
179	N	91.4	Very high	94.8	Very high	21 Å²	21	56.3 Å²	56.3	11%	0.112	30%	0.304	C	S	.	.	S	Bend	trans	-110.6	111.6	176.2	-167.8	-38.1	0	0	0	109	E61 L181 Y182	E61-N179 VanDerWaalsContact OE1-CB 3.29Å; E61-N179 WeakPolarHBondContact OE1-CB 3.25Å; E61-N179 PolarHBondContact OE1-ND2 2.79Å; N179-L181 PolarHBondContact O-N 3.44Å; N179-L181 VanDerWaalsContact O-N 3.14Å; N179-L181 VanDerWaalsContact OD1-CB 3.29Å; N179-L181 WeakPolarHBondContact OD1-CB 3.49Å; N179-L181 PolarHBondContact OD1-N 2.91Å; N179-Y182 HydrophobicContact CB-CD1 4.28Å; N179-Y182 HydrophobicContact CB-CD2 4.03Å; N179-Y182 HydrophobicContact CB-CE2 4.44Å; N179-Y182 HydrophobicContact CB-CG 3.91Å; N179-Y182 PolarHBondContact O-N 3.32Å
180	P	91.1	Very high	94.8	Very high	117 Å²	117	56.3 Å²	56.3	76%	0.76	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.7	-177.2	27.6	-35.2	0	0	0	113.3	Y182	P180-Y182 VanDerWaalsContact C-N 3.32Å
181	L	92	Very high	94.8	Very high	114 Å²	114	56.5 Å²	56.5	60%	0.597	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.5	174.6	-56.8	177	0	0	0	112.5	N179	N179-L181 PolarHBondContact O-N 3.44Å; N179-L181 VanDerWaalsContact O-N 3.14Å; N179-L181 VanDerWaalsContact OD1-CB 3.29Å; N179-L181 WeakPolarHBondContact OD1-CB 3.49Å; N179-L181 PolarHBondContact OD1-N 2.91Å
182	Y	95.1	Very high	94.8	Very high	9 Å²	9	62 Å²	62	4%	0.035	33%	0.33	C	S	.	.			trans	-92.4	109.7	-178.3	-68.5	6.7	0	0	0	108.8	H60 I170 N179 P180 A190 W194	H60-Y182 AromaticContact CE1-CE2 3.66Å; H60-Y182 AromaticContact CE1-CZ 3.89Å; H60-Y182 PolarHBondContact CE1-OH 3.27Å; H60-Y182 AromaticContact NE2-CZ 3.79Å; H60-Y182 PolarHBondContact NE2-OH 2.8Å; I170-Y182 HydrophobicContact CD1-CD2 3.67Å; I170-Y182 HydrophobicContact CD1-CE2 3.28Å; N179-Y182 HydrophobicContact CB-CD1 4.28Å; N179-Y182 HydrophobicContact CB-CD2 4.03Å; N179-Y182 HydrophobicContact CB-CE2 4.44Å; N179-Y182 HydrophobicContact CB-CG 3.91Å; N179-Y182 PolarHBondContact O-N 3.32Å; P180-Y182 VanDerWaalsContact C-N 3.32Å; Y182-A190 HydrophobicContact CD1-CB 3.51Å; Y182-A190 HydrophobicContact CD2-CB 4.13Å; Y182-A190 HydrophobicContact CE1-CB 3.93Å; Y182-A190 HydrophobicContact CG-CB 3.65Å; Y182-A190 PolarHBondContact OH-O 3.26Å; Y182-W194 PolarHBondContact OH-N 3.39Å
183	V	93.7	Very high	94.8	Very high	54 Å²	54	66.5 Å²	66.5	33%	0.327	34%	0.344	S	S	.	.			trans	-126.7	149.7	-177.7	-68.8	0	0	0	0	110.3	D185 K186	V183-D185 VanDerWaalsContact C-N 3.27Å; V183-D185 VanDerWaalsContact CB-OD1 3.27Å; V183-D185 WeakPolarHBondContact CB-OD1 3.34Å; V183-D185 WeakPolarHBondContact CG2-OD1 3.43Å; V183-D185 PolarHBondContact O-N 2.86Å; V183-K186 HydrophobicContact CG2-CB 3.87Å; V183-K186 HydrophobicContact CG2-CD 4.14Å; V183-K186 HydrophobicContact CG2-CG 4.03Å; V183-K186 CarbonylContact O-C 3.57Å; V183-K186 PolarHBondContact O-N 3Å; V183-K186 VanDerWaalsContact O-N 3.14Å
184	S	92	Very high	94.8	Very high	60 Å²	60	66.5 Å²	66.5	42%	0.42	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.2	-172.4	53.1	0	0	0	0	114.4
185	D	94.3	Very high	94.9	Very high	116 Å²	116	67.8 Å²	67.8	62%	0.62	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.8	176.7	66.3	-40.3	0	0	0	113.1	V183	V183-D185 VanDerWaalsContact C-N 3.27Å; V183-D185 VanDerWaalsContact CB-OD1 3.27Å; V183-D185 WeakPolarHBondContact CB-OD1 3.34Å; V183-D185 WeakPolarHBondContact CG2-OD1 3.43Å; V183-D185 PolarHBondContact O-N 2.86Å
186	K	96.1	Very high	95.1	Very high	113 Å²	113	61.9 Å²	61.9	49%	0.491	34%	0.337	S	S	.	.			trans	-127.5	51.6	179.5	-55.6	-179.8	-175.7	174.7	0	113.5	V183 Y188 L189 A190	V183-K186 HydrophobicContact CG2-CB 3.87Å; V183-K186 HydrophobicContact CG2-CD 4.14Å; V183-K186 HydrophobicContact CG2-CG 4.03Å; V183-K186 CarbonylContact O-C 3.57Å; V183-K186 PolarHBondContact O-N 3Å; V183-K186 VanDerWaalsContact O-N 3.14Å; K186-Y188 VanDerWaalsContact C-N 3.33Å; K186-Y188 PolarHBondContact O-N 3.42Å; K186-L189 HydrophobicContact CB-CB 4.16Å; K186-L189 HydrophobicContact CD-CD2 4.28Å; K186-L189 PolarHBondContact O-N 2.76Å; K186-A190 PolarHBondContact O-N 3.25Å; K186-A190 VanDerWaalsContact O-N 3.11Å
187	P	96.4	Very high	95.3	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-34	-175.9	29.9	-37.6	0	0	0	112.8	A190 F191 L286 P287 F290	P187-A190 PolarHBondContact O-N 2.82Å; P187-F191 VanDerWaalsContact O-CB 3.31Å; P187-F191 WeakPolarHBondContact O-CB 3.29Å; P187-F191 PolarHBondContact O-N 2.86Å; P187-L286 HydrophobicContact CB-CD2 3.92Å; P187-P287 HydrophobicContact CG-CG 4.03Å; P187-F290 HydrophobicContact CB-CD1 4.13Å; P187-F290 HydrophobicContact CB-CD2 3.87Å; P187-F290 HydrophobicContact CB-CE1 4.32Å; P187-F290 HydrophobicContact CB-CE2 4.06Å; P187-F290 HydrophobicContact CB-CG 3.91Å; P187-F290 HydrophobicContact CB-CZ 4.27Å; P187-F290 HydrophobicContact CG-CB 4.31Å; P187-F290 HydrophobicContact CG-CD2 4.09Å; P187-F290 HydrophobicContact CG-CG 4.13Å; P187-F290 WeakPolarHBondContact O-CE2 3.24Å
188	Y	96.9	Very high	95.5	Very high	85 Å²	85	56.4 Å²	56.4	33%	0.333	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.5	-75.1	-88.3	0	0	0	112.2	K186 F191 Q192 F290 I294	K186-Y188 VanDerWaalsContact C-N 3.33Å; K186-Y188 PolarHBondContact O-N 3.42Å; Y188-F191 PolarHBondContact O-N 3.45Å; Y188-Q192 WeakPolarHBondContact O-CG 3.37Å; Y188-Q192 PolarHBondContact O-N 3.23Å; Y188-F290 HydrophobicContact CD1-CD2 4Å; Y188-F290 HydrophobicContact CD1-CE2 4.3Å; Y188-F290 AromaticContact CD2-CD2 3.85Å; Y188-F290 HydrophobicContact CD2-CD2 3.85Å; Y188-F290 AromaticContact CE1-CD2 3.99Å; Y188-F290 HydrophobicContact CE1-CD2 3.99Å; Y188-F290 HydrophobicContact CE2-CB 4.06Å; Y188-F290 AromaticContact CE2-CD2 3.81Å; Y188-F290 HydrophobicContact CE2-CD2 3.81Å; Y188-F290 HydrophobicContact CE2-CG 4.44Å; Y188-F290 AromaticContact CG-CD2 3.93Å; Y188-F290 HydrophobicContact CG-CD2 3.93Å; Y188-F290 HydrophobicContact CG-CE2 4.3Å; Y188-F290 AromaticContact CZ-CD2 3.89Å; Y188-I294 HydrophobicContact CD1-CD1 3.82Å; Y188-I294 HydrophobicContact CE1-CD1 3.87Å
189	L	96.5	Very high	95.7	Very high	71 Å²	71	59.1 Å²	59.1	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-45.6	176.1	-179.6	62.2	0	0	0	110.8	K186 F191 Q192 Y193	K186-L189 HydrophobicContact CB-CB 4.16Å; K186-L189 HydrophobicContact CD-CD2 4.28Å; K186-L189 PolarHBondContact O-N 2.76Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 2.64Å; L189-Q192 PolarHBondContact O-N 3.36Å; L189-Y193 HydrophobicContact CD1-CD2 4.06Å; L189-Y193 HydrophobicContact CD1-CE2 3.5Å; L189-Y193 HydrophobicContact CD2-CE2 4.17Å; L189-Y193 HydrophobicContact CG-CD2 3.97Å; L189-Y193 HydrophobicContact CG-CE2 3.59Å; L189-Y193 WeakPolarHBondContact O-CD2 3.14Å; L189-Y193 PolarHBondContact O-N 3.28Å; L189-Y193 VanDerWaalsContact O-N 3.07Å
190	A	97.4	Very high	96	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-42.5	175.1	0	0	0	0	0	111.6	I170 Y182 K186 P187 Y193 W194	I170-A190 HydrophobicContact CD1-CB 3.96Å; I170-A190 WeakPolarHBondContact CD1-O 3.39Å; I170-A190 HydrophobicContact CG1-CB 4.33Å; I170-A190 HydrophobicContact CG2-CB 3.74Å; Y182-A190 HydrophobicContact CD1-CB 3.51Å; Y182-A190 HydrophobicContact CD2-CB 4.13Å; Y182-A190 HydrophobicContact CE1-CB 3.93Å; Y182-A190 HydrophobicContact CG-CB 3.65Å; Y182-A190 PolarHBondContact OH-O 3.26Å; K186-A190 PolarHBondContact O-N 3.25Å; K186-A190 VanDerWaalsContact O-N 3.11Å; P187-A190 PolarHBondContact O-N 2.82Å; A190-Y193 PolarHBondContact O-N 2.99Å; A190-W194 PolarHBondContact O-N 2.03Å
191	F	97.9	Very high	96.4	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-42.5	176.7	-171.6	-88.7	0	0	0	113	I170 P187 Y188 L189 Y193 W194 E195 F290 I294 L301	I170-F191 HydrophobicContact CG1-CB 4.43Å; P187-F191 VanDerWaalsContact O-CB 3.31Å; P187-F191 WeakPolarHBondContact O-CB 3.29Å; P187-F191 PolarHBondContact O-N 2.86Å; Y188-F191 PolarHBondContact O-N 3.45Å; L189-F191 VanDerWaalsContact C-N 3.28Å; L189-F191 PolarHBondContact O-N 2.64Å; F191-Y193 VanDerWaalsContact C-N 3.33Å; F191-Y193 PolarHBondContact O-N 3.26Å; F191-W194 HydrophobicContact CD2-CE3 4.02Å; F191-W194 HydrophobicContact CD2-CZ3 4.4Å; F191-W194 HydrophobicContact CE1-CE3 4.35Å; F191-W194 HydrophobicContact CE1-CZ3 4.25Å; F191-W194 AromaticContact CE2-CE3 3.72Å; F191-W194 HydrophobicContact CE2-CE3 3.72Å; F191-W194 AromaticContact CE2-CZ3 3.64Å; F191-W194 HydrophobicContact CE2-CZ3 3.64Å; F191-W194 HydrophobicContact CG-CE3 4.48Å; F191-W194 AromaticContact CZ-CE3 3.9Å; F191-W194 HydrophobicContact CZ-CE3 3.9Å; F191-W194 AromaticContact CZ-CZ3 3.55Å; F191-W194 HydrophobicContact CZ-CZ3 3.55Å; F191-W194 PolarHBondContact O-N 2.59Å; F191-E195 HydrophobicContact CE1-CB 4.28Å; F191-E195 WeakPolarHBondContact O-CB 3.38Å; F191-E195 PolarHBondContact O-N 2.55Å; F191-F290 HydrophobicContact CB-CE2 3.75Å; F191-F290 HydrophobicContact CB-CZ 3.71Å; F191-F290 HydrophobicContact CD2-CE2 4.36Å; F191-F290 AromaticContact CD2-CZ 3.74Å; F191-F290 HydrophobicContact CD2-CZ 3.74Å; F191-F290 HydrophobicContact CG-CE2 4.14Å; F191-F290 AromaticContact CG-CZ 3.94Å; F191-F290 HydrophobicContact CG-CZ 3.94Å; F191-I294 HydrophobicContact CB-CG1 4.5Å; F191-I294 HydrophobicContact CD1-CD1 3.67Å; F191-I294 HydrophobicContact CD1-CG1 3.49Å; F191-I294 VanDerWaalsContact CD1-CG1 3.49Å; F191-I294 HydrophobicContact CD2-CG1 3.84Å; F191-I294 HydrophobicContact CE1-CD1 3.93Å; F191-I294 HydrophobicContact CE1-CG1 3.51Å; F191-I294 HydrophobicContact CE2-CG1 3.84Å; F191-I294 HydrophobicContact CE2-CG2 4.24Å; F191-I294 HydrophobicContact CG-CD1 4.14Å; F191-I294 HydrophobicContact CG-CG1 3.65Å; F191-I294 HydrophobicContact CZ-CG1 3.67Å; F191-L301 HydrophobicContact CE2-CD1 3.76Å; F191-L301 HydrophobicContact CE2-CG 4.34Å; F191-L301 HydrophobicContact CZ-CD1 3.54Å; F191-L301 HydrophobicContact CZ-CG 3.91Å
192	Q	97.1	Very high	96.6	Very high	125 Å²	125	50 Å²	50	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-60.4	-41.9	176	-75.9	174.3	-24.8	0	0	111.8	Y188 L189 E195 G196	Y188-Q192 WeakPolarHBondContact O-CG 3.37Å; Y188-Q192 PolarHBondContact O-N 3.23Å; L189-Q192 PolarHBondContact O-N 3.36Å; Q192-E195 PolarHBondContact O-N 2.88Å; Q192-G196 PolarHBondContact O-N 3.32Å
193	Y	96.8	Very high	96.7	Very high	116 Å²	116	53.4 Å²	53.4	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-48.3	173.6	-78.2	-61.3	0	0	0	112	L189 A190 F191 E195 G196 I197	L189-Y193 HydrophobicContact CD1-CD2 4.06Å; L189-Y193 HydrophobicContact CD1-CE2 3.5Å; L189-Y193 HydrophobicContact CD2-CE2 4.17Å; L189-Y193 HydrophobicContact CG-CD2 3.97Å; L189-Y193 HydrophobicContact CG-CE2 3.59Å; L189-Y193 WeakPolarHBondContact O-CD2 3.14Å; L189-Y193 PolarHBondContact O-N 3.28Å; L189-Y193 VanDerWaalsContact O-N 3.07Å; A190-Y193 PolarHBondContact O-N 2.99Å; F191-Y193 VanDerWaalsContact C-N 3.33Å; F191-Y193 PolarHBondContact O-N 3.26Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; Y193-E195 PolarHBondContact O-N 3.45Å; Y193-G196 PolarHBondContact O-N 3.06Å; Y193-I197 WeakPolarHBondContact O-CB 3.43Å; Y193-I197 WeakPolarHBondContact O-CG1 3.22Å; Y193-I197 PolarHBondContact O-N 2.54Å; Y193-I197 VanDerWaalsContact O-N 3.08Å
194	W	97.8	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-45.9	176.1	166.8	83.6	0	0	0	111.9	H60 R164 V169 I170 Y182 A190 F191 T198 L300 L301	H60-W194 AromaticContact CD2-CD1 3.53Å; H60-W194 AromaticContact CG-CD1 3.54Å; H60-W194 AromaticContact ND1-CD1 3.93Å; H60-W194 AromaticContact NE2-CD1 3.94Å; R164-W194 WeakPolarHBondContact O-CZ2 3.26Å; V169-W194 VanDerWaalsContact CG1-CD1 3.49Å; V169-W194 HydrophobicContact CG1-CG 4.4Å; I170-W194 HydrophobicContact CD1-CB 3.72Å; I170-W194 HydrophobicContact CD1-CG 4.33Å; Y182-W194 PolarHBondContact OH-N 3.39Å; A190-W194 PolarHBondContact O-N 2.03Å; F191-W194 HydrophobicContact CD2-CE3 4.02Å; F191-W194 HydrophobicContact CD2-CZ3 4.4Å; F191-W194 HydrophobicContact CE1-CE3 4.35Å; F191-W194 HydrophobicContact CE1-CZ3 4.25Å; F191-W194 AromaticContact CE2-CE3 3.72Å; F191-W194 HydrophobicContact CE2-CE3 3.72Å; F191-W194 AromaticContact CE2-CZ3 3.64Å; F191-W194 HydrophobicContact CE2-CZ3 3.64Å; F191-W194 HydrophobicContact CG-CE3 4.48Å; F191-W194 AromaticContact CZ-CE3 3.9Å; F191-W194 HydrophobicContact CZ-CE3 3.9Å; F191-W194 AromaticContact CZ-CZ3 3.55Å; F191-W194 HydrophobicContact CZ-CZ3 3.55Å; F191-W194 PolarHBondContact O-N 2.59Å; W194-T198 HydrophobicContact CZ2-CG2 4.24Å; W194-T198 PolarHBondContact NE1-OG1 3.14Å; W194-T198 WeakPolarHBondContact O-CB 3.5Å; W194-T198 PolarHBondContact O-N 3.13Å; W194-T198 PolarHBondContact O-OG1 3.31Å; W194-L300 HydrophobicContact CH2-CD2 3.81Å; W194-L300 HydrophobicContact CH2-CG 4.28Å; W194-L300 HydrophobicContact CZ2-CD2 4.33Å; W194-L300 HydrophobicContact CZ3-CD2 4.01Å; W194-L301 HydrophobicContact CH2-CD2 3.6Å; W194-L301 HydrophobicContact CH2-CG 4.18Å; W194-L301 HydrophobicContact CZ3-CD2 4.11Å; W194-L301 HydrophobicContact CZ3-CG 4.25Å
195	E	97.7	Very high	97.2	Very high	47 Å²	47	48.9 Å²	48.9	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-47.3	-177.4	-178.2	170.8	-122.6	0	0	110.7	F191 Q192 Y193 I197 K199 S298 L300	F191-E195 HydrophobicContact CE1-CB 4.28Å; F191-E195 WeakPolarHBondContact O-CB 3.38Å; F191-E195 PolarHBondContact O-N 2.55Å; Q192-E195 PolarHBondContact O-N 2.88Å; Y193-E195 VanDerWaalsContact C-N 3.33Å; Y193-E195 PolarHBondContact O-N 3.45Å; E195-I197 PolarHBondContact O-N 2.9Å; E195-K199 WeakPolarHBondContact O-CB 3.31Å; E195-K199 PolarHBondContact O-N 2.98Å; E195-S298 WeakPolarHBondContact OE1-CA 3.44Å; E195-S298 WeakPolarHBondContact OE1-CB 3.33Å; E195-S298 PolarHBondContact OE1-OG 2.65Å; E195-L300 HydrophobicContact CB-CD2 4.49Å; E195-L300 HydrophobicContact CG-CB 3.79Å; E195-L300 HydrophobicContact CG-CD2 4.01Å; E195-L300 WeakPolarHBondContact OE1-CB 3.38Å; E195-L300 PolarHBondContact OE1-N 2.93Å
196	G	97.4	Very high	97.2	Very high	45 Å²	45	46 Å²	46	46%	0.464	22%	0.221	S	C	.	.	H	α-helix	trans	-60.5	-46.6	178.4	0	0	0	0	0	113	Q192 Y193 K200	Q192-G196 PolarHBondContact O-N 3.32Å; Y193-G196 PolarHBondContact O-N 3.06Å; G196-K200 PolarHBondContact O-N 2.86Å
197	I	97.3	Very high	97.3	Very high	37 Å²	37	47.2 Å²	47.2	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-47.1	-179.6	-67.9	171.9	0	0	0	110.9	F142 Y193 E195 K200 M201	F142-I197 HydrophobicContact CE1-CD1 4.33Å; Y193-I197 WeakPolarHBondContact O-CB 3.43Å; Y193-I197 WeakPolarHBondContact O-CG1 3.22Å; Y193-I197 PolarHBondContact O-N 2.54Å; Y193-I197 VanDerWaalsContact O-N 3.08Å; E195-I197 PolarHBondContact O-N 2.9Å; I197-K200 PolarHBondContact O-N 3.07Å; I197-M201 HydrophobicContact CG2-CE 3.44Å; I197-M201 VanDerWaalsContact CG2-CE 3.44Å; I197-M201 HydrophobicContact CG2-SD 3.87Å; I197-M201 WeakPolarHBondContact O-CG 3.13Å; I197-M201 PolarHBondContact O-N 3.05Å
198	T	98.1	Very high	97.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-38	-176.2	-55.6	0	0	0	0	111.4	V163 W194 M201 L202 L300	V163-T198 HydrophobicContact CG1-CG2 4.09Å; W194-T198 HydrophobicContact CZ2-CG2 4.24Å; W194-T198 PolarHBondContact NE1-OG1 3.14Å; W194-T198 WeakPolarHBondContact O-CB 3.5Å; W194-T198 PolarHBondContact O-N 3.13Å; W194-T198 PolarHBondContact O-OG1 3.31Å; T198-M201 PolarHBondContact O-N 3.03Å; T198-L202 VanDerWaalsContact O-CB 3.29Å; T198-L202 WeakPolarHBondContact O-CB 3.31Å; T198-L202 PolarHBondContact O-N 3.09Å; T198-L300 HydrophobicContact CG2-CD2 3.91Å
199	K	97.5	Very high	97.2	Very high	99 Å²	99	45.2 Å²	45.2	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-47.7	173.6	179.6	179.5	171.2	-175.9	0	111.2	E195 M201 L202 E203 L300	E195-K199 WeakPolarHBondContact O-CB 3.31Å; E195-K199 PolarHBondContact O-N 2.98Å; K199-M201 PolarHBondContact O-N 3.19Å; K199-L202 WeakPolarHBondContact O-CB 3.43Å; K199-L202 PolarHBondContact O-N 3.44Å; K199-E203 WeakPolarHBondContact CE-OE1 3.31Å; K199-E203 IonicContact NZ-OE1 2.73Å; K199-E203 WeakPolarHBondContact O-CG 3.3Å; K199-E203 PolarHBondContact O-N 3.22Å; K199-L300 HydrophobicContact CB-CD1 4.28Å; K199-L300 HydrophobicContact CB-CD2 4.21Å
200	K	97.7	Very high	97.2	Very high	61 Å²	61	46.7 Å²	46.7	27%	0.265	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-48	177	-172	-153.1	172.6	-63	0	111.7	Y145 G196 I197 L202 E203 D204	Y145-K200 HydrophobicContact CD2-CD 3.92Å; Y145-K200 HydrophobicContact CE2-CD 3.7Å; Y145-K200 WeakPolarHBondContact O-CE 3.43Å; Y145-K200 PolarHBondContact O-NZ 3.19Å; G196-K200 PolarHBondContact O-N 2.86Å; I197-K200 PolarHBondContact O-N 3.07Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 2.99Å; K200-E203 PolarHBondContact O-N 2.72Å; K200-D204 VanDerWaalsContact NZ-CG 3.27Å; K200-D204 IonicContact NZ-OD1 2.7Å; K200-D204 PolarHBondContact NZ-OD1 2.79Å; K200-D204 VanDerWaalsContact NZ-OD1 3.12Å; K200-D204 IonicContact NZ-OD2 3.45Å; K200-D204 PolarHBondContact NZ-OD2 3.26Å; K200-D204 PolarHBondContact O-N 3.15Å
201	M	98	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-39.1	178.6	-68.5	170.6	172.6	0	0	112.2	G59 F142 F144 H161 I197 T198 K199 C205	G59-M201 VanDerWaalsContact C-SD 3.56Å; F142-M201 HydrophobicContact CD1-CE 4.39Å; F144-M201 HydrophobicContact CB-CE 3.98Å; F144-M201 HydrophobicContact CB-CG 4.06Å; F144-M201 HydrophobicContact CB-SD 4.04Å; F144-M201 WeakPolarHBondContact O-CG 3.35Å; H161-M201 WeakPolarHBondContact NE2-CB 3.21Å; I197-M201 HydrophobicContact CG2-CE 3.44Å; I197-M201 VanDerWaalsContact CG2-CE 3.44Å; I197-M201 HydrophobicContact CG2-SD 3.87Å; I197-M201 WeakPolarHBondContact O-CG 3.13Å; I197-M201 PolarHBondContact O-N 3.05Å; T198-M201 PolarHBondContact O-N 3.03Å; K199-M201 PolarHBondContact O-N 3.19Å; M201-C205 WeakPolarHBondContact O-CB 3.27Å; M201-C205 PolarHBondContact O-N 3.07Å
202	L	97.5	Very high	97.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-47	175.3	177.7	63.6	0	0	0	111.3	H161 T198 K199 K200 C205 I206 T215 L300 L304 I325	H161-L202 PolarHBondContact CE1-N 3.1Å; T198-L202 VanDerWaalsContact O-CB 3.29Å; T198-L202 WeakPolarHBondContact O-CB 3.31Å; T198-L202 PolarHBondContact O-N 3.09Å; K199-L202 WeakPolarHBondContact O-CB 3.43Å; K199-L202 PolarHBondContact O-N 3.44Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 2.99Å; L202-C205 PolarHBondContact O-N 2.96Å; L202-I206 HydrophobicContact CD1-CD1 4.29Å; L202-I206 HydrophobicContact CG-CD1 4.05Å; L202-I206 WeakPolarHBondContact O-CD1 3.33Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 2.86Å; L202-T215 HydrophobicContact CD1-CG2 4.28Å; L202-L300 HydrophobicContact CD2-CD1 3.77Å; L202-L304 HydrophobicContact CD2-CD2 4.03Å; L202-I325 HydrophobicContact CD1-CD1 3.74Å; L202-I325 HydrophobicContact CD1-CG1 4.26Å; L202-I325 HydrophobicContact CD1-CG2 4.13Å
203	E	97	Very high	97.2	Very high	81 Å²	81	48 Å²	48	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-45.6	178.3	-72.3	169.2	173.1	0	0	112	K199 K200 C205 I206 Q207	K199-E203 WeakPolarHBondContact CE-OE1 3.31Å; K199-E203 IonicContact NZ-OE1 2.73Å; K199-E203 WeakPolarHBondContact O-CG 3.3Å; K199-E203 PolarHBondContact O-N 3.22Å; K200-E203 PolarHBondContact O-N 2.72Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 2.96Å; E203-I206 PolarHBondContact O-N 3.39Å; E203-Q207 WeakPolarHBondContact O-CB 3.26Å; E203-Q207 PolarHBondContact O-N 2.96Å
204	D	97.8	Very high	97.2	Very high	14 Å²	14	43.1 Å²	43.1	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-45	173.3	-77.9	18.2	0	0	0	110.9	L147 N148 K200 Q207 I208	L147-D204 HydrophobicContact CB-CB 3.9Å; L147-D204 HydrophobicContact CD2-CB 3.93Å; L147-D204 HydrophobicContact CG-CB 4.04Å; N148-D204 HydrophobicContact CB-CB 4.4Å; N148-D204 PolarHBondContact N-OD2 3.04Å; K200-D204 VanDerWaalsContact NZ-CG 3.27Å; K200-D204 IonicContact NZ-OD1 2.7Å; K200-D204 PolarHBondContact NZ-OD1 2.79Å; K200-D204 VanDerWaalsContact NZ-OD1 3.12Å; K200-D204 IonicContact NZ-OD2 3.45Å; K200-D204 PolarHBondContact NZ-OD2 3.26Å; K200-D204 PolarHBondContact O-N 3.15Å; D204-Q207 PolarHBondContact O-N 2.84Å; D204-I208 WeakPolarHBondContact O-CD1 3.47Å; D204-I208 VanDerWaalsContact O-CG1 3.24Å; D204-I208 WeakPolarHBondContact O-CG1 3.48Å; D204-I208 PolarHBondContact O-N 3.47Å
205	C	97.4	Very high	97.2	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-40.3	-179.6	-171.2	0	0	0	0	112.6	L147 H161 M201 L202 E203 I208 G209 C213 T215	L147-C205 HydrophobicContact CD2-CB 3.81Å; H161-C205 HydrophobicContact CB-CB 4.44Å; M201-C205 WeakPolarHBondContact O-CB 3.27Å; M201-C205 PolarHBondContact O-N 3.07Å; L202-C205 PolarHBondContact O-N 2.96Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 2.96Å; C205-I208 PolarHBondContact O-N 3.4Å; C205-G209 PolarHBondContact O-N 3.01Å; C205-C213 WeakPolarHBondContact CA-SG 3.35Å; C205-C213 HydrophobicContact CB-CB 4.08Å; C205-C213 WeakPolarHBondContact CB-SG 3.27Å; C205-C213 WeakPolarHBondContact O-CB 3.28Å; C205-C213 WeakPolarHBondContact SG-CB 3.47Å; C205-C213 CovalentContact SG-SG 2.03Å; C205-C213 PolarHBondContact SG-SG 3.15Å; C205-T215 PolarHBondContact SG-OG1 3.49Å
206	I	96	Very high	97.2	Very high	57 Å²	57	42.1 Å²	42.1	29%	0.292	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-44.9	174.7	-64.9	160.4	0	0	0	110.3	L202 E203 I208 G209 I325 L326	L202-I206 HydrophobicContact CD1-CD1 4.29Å; L202-I206 HydrophobicContact CG-CD1 4.05Å; L202-I206 WeakPolarHBondContact O-CD1 3.33Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 2.86Å; E203-I206 PolarHBondContact O-N 3.39Å; I206-I208 VanDerWaalsContact C-N 3.3Å; I206-I208 PolarHBondContact O-N 2.98Å; I206-G209 PolarHBondContact O-N 3.3Å; I206-G209 VanDerWaalsContact O-N 3.1Å; I206-I325 HydrophobicContact CD1-CG2 3.17Å; I206-I325 HydrophobicContact CG1-CG2 3.55Å; I206-L326 HydrophobicContact CG2-CD2 4.19Å
207	Q	96.2	Very high	97.2	Very high	137 Å²	137	40 Å²	40	64%	0.64	22%	0.216	S	C	*	.	H	α-helix	trans	-62.3	-36.5	-179.7	-177.3	178	-5.1	0	0	112.3	E203 D204 G209	E203-Q207 WeakPolarHBondContact O-CB 3.26Å; E203-Q207 PolarHBondContact O-N 2.96Å; D204-Q207 PolarHBondContact O-N 2.84Å; Q207-G209 VanDerWaalsContact C-N 3.25Å; Q207-G209 PolarHBondContact O-N 3.45Å
208	I	97.1	Very high	97.3	Very high	27 Å²	27	39 Å²	39	14%	0.138	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-30.5	176	-70.7	163.6	0	0	0	112	L147 S151 F159 D204 C205 I206 R212 C213	L147-I208 HydrophobicContact CD1-CD1 3.83Å; L147-I208 HydrophobicContact CD2-CD1 4.11Å; L147-I208 HydrophobicContact CG-CD1 3.53Å; S151-I208 WeakPolarHBondContact OG-CG1 3.1Å; F159-I208 HydrophobicContact CD2-CG2 4.46Å; D204-I208 WeakPolarHBondContact O-CD1 3.47Å; D204-I208 VanDerWaalsContact O-CG1 3.24Å; D204-I208 WeakPolarHBondContact O-CG1 3.48Å; D204-I208 PolarHBondContact O-N 3.47Å; C205-I208 PolarHBondContact O-N 3.4Å; I206-I208 VanDerWaalsContact C-N 3.3Å; I206-I208 PolarHBondContact O-N 2.98Å; I208-R212 HydrophobicContact CG2-CB 3.6Å; I208-C213 HydrophobicContact CB-CB 4Å; I208-C213 HydrophobicContact CG2-CB 3.79Å
209	G	95.6	Very high	97.3	Very high	25 Å²	25	39 Å²	39	26%	0.258	21%	0.209	S	C	.	.			trans	90	154.4	178.5	0	0	0	0	0	114	C205 I206 Q207 S211 R212 C213	C205-G209 PolarHBondContact O-N 3.01Å; I206-G209 PolarHBondContact O-N 3.3Å; I206-G209 VanDerWaalsContact O-N 3.1Å; Q207-G209 VanDerWaalsContact C-N 3.25Å; Q207-G209 PolarHBondContact O-N 3.45Å; G209-S211 PolarHBondContact O-N 3.24Å; G209-S211 VanDerWaalsContact O-N 3.14Å; G209-R212 PolarHBondContact O-N 3.22Å; G209-C213 PolarHBondContact O-N 3.37Å
210	S	95.1	Very high	97.3	Very high	101 Å²	101	34.9 Å²	34.9	71%	0.706	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.7	-171.7	54.8	0	0	0	0	114.9	R212	S210-R212 VanDerWaalsContact C-N 3.3Å
211	S	96.5	Very high	97.3	Very high	89 Å²	89	32 Å²	32	62%	0.622	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.7	173.9	59.4	0	0	0	0	113	G209	G209-S211 PolarHBondContact O-N 3.24Å; G209-S211 VanDerWaalsContact O-N 3.14Å
212	R	97.6	Very high	97.3	Very high	60 Å²	60	32.4 Å²	32.4	23%	0.226	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-19.6	-175.9	-72.9	-174.8	63.7	-157.4	-6	114.4	S151 F154 V155 A157 K158 F159 I208 G209 S210	S151-R212 PolarHBondContact O-NH1 3.42Å; S151-R212 PolarHBondContact O-NH2 2.91Å; F154-R212 PolarHBondContact O-NH2 3.01Å; V155-R212 PolarHBondContact O-NE 3.3Å; V155-R212 PolarHBondContact O-NH1 2.89Å; V155-R212 PolarHBondContact O-NH2 3.2Å; A157-R212 PolarHBondContact O-NE 3.07Å; K158-R212 CarbonylContact C-O 3.54Å; K158-R212 WeakPolarHBondContact CA-O 3.31Å; F159-R212 WeakPolarHBondContact CD2-O 3.4Å; F159-R212 PolarHBondContact N-O 2.89Å; I208-R212 HydrophobicContact CG2-CB 3.6Å; G209-R212 PolarHBondContact O-N 3.22Å; S210-R212 VanDerWaalsContact C-N 3.3Å
213	C	98.1	Very high	97.3	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.1	174.8	-164.6	0	0	0	0	112.6	F159 C205 I208 G209	F159-C213 HydrophobicContact CB-CB 4.13Å; F159-C213 CarbonylContact O-C 3.18Å; F159-C213 WeakPolarHBondContact O-CA 3.33Å; C205-C213 WeakPolarHBondContact CA-SG 3.35Å; C205-C213 HydrophobicContact CB-CB 4.08Å; C205-C213 WeakPolarHBondContact CB-SG 3.27Å; C205-C213 WeakPolarHBondContact O-CB 3.28Å; C205-C213 WeakPolarHBondContact SG-CB 3.47Å; C205-C213 CovalentContact SG-SG 2.03Å; C205-C213 PolarHBondContact SG-SG 3.15Å; I208-C213 HydrophobicContact CB-CB 4Å; I208-C213 HydrophobicContact CG2-CB 3.79Å; G209-C213 PolarHBondContact O-N 3.37Å
214	L	97.6	Very high	97.3	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.3	178.4	179.1	62.6	0	0	0	109.6	F159 I160 H161 I216 I231 I232 F235	F159-L214 PolarHBondContact O-N 3.06Å; I160-L214 CarbonylContact C-O 3.45Å; I160-L214 WeakPolarHBondContact CA-O 3.37Å; H161-L214 PolarHBondContact N-O 3.49Å; L214-I216 HydrophobicContact CD1-CD1 4.25Å; L214-I216 HydrophobicContact CD2-CD1 3.85Å; L214-I216 HydrophobicContact CD2-CG1 4.3Å; L214-I216 HydrophobicContact CG-CD1 3.82Å; L214-I216 HydrophobicContact CG-CG1 4.13Å; L214-I231 HydrophobicContact CD2-CG2 4.34Å; L214-I232 HydrophobicContact CD2-CG1 4.04Å; L214-F235 HydrophobicContact CB-CD1 3.82Å; L214-F235 HydrophobicContact CB-CD2 4.05Å; L214-F235 HydrophobicContact CB-CE1 3.75Å; L214-F235 HydrophobicContact CB-CE2 3.98Å; L214-F235 HydrophobicContact CB-CG 3.96Å; L214-F235 HydrophobicContact CB-CZ 3.83Å; L214-F235 HydrophobicContact CD2-CB 3.74Å; L214-F235 HydrophobicContact CD2-CD1 3.74Å; L214-F235 HydrophobicContact CD2-CD2 4.47Å; L214-F235 HydrophobicContact CD2-CE1 4.47Å; L214-F235 HydrophobicContact CD2-CG 3.72Å; L214-F235 HydrophobicContact CG-CD1 4.45Å; L214-F235 HydrophobicContact CG-CG 4.43Å
215	T	98	Very high	97.3	Very high	21 Å²	21	33.7 Å²	33.7	13%	0.129	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.5	172.1	-61.5	0	0	0	0	110.4	H161 V163 L202 C205 L321 I325	H161-T215 PolarHBondContact ND1-OG1 3.42Å; H161-T215 CarbonylContact O-C 3.23Å; H161-T215 VanDerWaalsContact O-CA 3.27Å; H161-T215 WeakPolarHBondContact O-CA 3.29Å; V163-T215 HydrophobicContact CB-CG2 4.39Å; V163-T215 HydrophobicContact CG1-CG2 3.82Å; V163-T215 HydrophobicContact CG2-CG2 3.63Å; L202-T215 HydrophobicContact CD1-CG2 4.28Å; C205-T215 PolarHBondContact SG-OG1 3.49Å; T215-L321 HydrophobicContact CG2-CD2 3.68Å; T215-I325 HydrophobicContact CG2-CD1 4.38Å
216	I	97.8	Very high	97.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	179.4	-59.5	-63.6	0	0	0	109.4	M68 I160 H161 M162 V163 L214 L221 I232	M68-I216 HydrophobicContact CE-CB 4.28Å; M68-I216 HydrophobicContact CE-CG1 4.28Å; M68-I216 HydrophobicContact CE-CG2 4.01Å; I160-I216 HydrophobicContact CG2-CG1 4.3Å; H161-I216 PolarHBondContact O-N 3.08Å; M162-I216 HydrophobicContact CE-CB 4.37Å; M162-I216 HydrophobicContact CE-CG2 4.1Å; M162-I216 HydrophobicContact SD-CB 3.94Å; M162-I216 HydrophobicContact SD-CG2 4.22Å; V163-I216 WeakPolarHBondContact CG2-O 3.36Å; V163-I216 PolarHBondContact N-O 3.46Å; L214-I216 HydrophobicContact CD1-CD1 4.25Å; L214-I216 HydrophobicContact CD2-CD1 3.85Å; L214-I216 HydrophobicContact CD2-CG1 4.3Å; L214-I216 HydrophobicContact CG-CD1 3.82Å; L214-I216 HydrophobicContact CG-CG1 4.13Å; I216-L221 HydrophobicContact CG2-CB 4.15Å; I216-I232 HydrophobicContact CD1-CD1 4.22Å; I216-I232 HydrophobicContact CD1-CG1 3.91Å; I216-I232 HydrophobicContact CG1-CD1 4.13Å; I216-I232 HydrophobicContact CG1-CG1 4.06Å
217	R	97.7	Very high	97.4	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.9	168.3	-72.1	-178	-64.2	-156.7	6.4	109.8	V163 E219 D220 L221 L304 Y306 K319 L321	V163-R217 HydrophobicContact CG2-CB 4.34Å; V163-R217 HydrophobicContact CG2-CG 3.65Å; V163-R217 CarbonylContact O-C 3.54Å; V163-R217 WeakPolarHBondContact O-CA 3.29Å; R217-E219 PolarHBondContact O-N 3.19Å; R217-D220 HydrophobicContact CB-CB 4.26Å; R217-D220 WeakPolarHBondContact CB-OD2 3.35Å; R217-D220 IonicContact CZ-OD1 3.89Å; R217-D220 IonicContact CZ-OD2 3.55Å; R217-D220 IonicContact NE-OD1 2.59Å; R217-D220 IonicContact NE-OD2 3.78Å; R217-D220 PolarHBondContact NE-OD2 2.83Å; R217-D220 IonicContact NH2-OD1 2.71Å; R217-D220 PolarHBondContact NH2-OD1 2.89Å; R217-D220 IonicContact NH2-OD2 2.96Å; R217-D220 PolarHBondContact NH2-OD2 3.33Å; R217-D220 PolarHBondContact O-N 3.12Å; R217-L221 PolarHBondContact O-N 2.96Å; R217-L221 VanDerWaalsContact O-N 3.08Å; R217-L304 PolarHBondContact NH1-O 3.01Å; R217-Y306 VanDerWaalsContact CD-OH 3.29Å; R217-Y306 WeakPolarHBondContact CD-OH 3.37Å; R217-Y306 VanDerWaalsContact CG-OH 3.24Å; R217-Y306 WeakPolarHBondContact CG-OH 3.24Å; R217-K319 PolarHBondContact NH1-O 2.86Å; R217-K319 PolarHBondContact NH2-O 3.19Å; R217-L321 HydrophobicContact CG-CD1 4.21Å; R217-L321 HydrophobicContact CG-CD2 4Å
218	Y	98.5	Very high	97.4	Very high	15 Å²	15	33 Å²	33	6%	0.059	19%	0.189	C	C	.	.	H	α-helix	trans	-54.1	-42.5	174	171.8	-103.5	0	0	0	111.6	L67 V163 R164 L221 I222 S275 L276	L67-Y218 HydrophobicContact CD2-CE2 4.36Å; V163-Y218 PolarHBondContact O-N 3.4Å; R164-Y218 HydrophobicContact CG-CD1 3.94Å; R164-Y218 HydrophobicContact CG-CG 4.17Å; R164-Y218 VanDerWaalsContact CZ-CE1 3.42Å; R164-Y218 VanDerWaalsContact NH2-CE1 3.33Å; Y218-L221 PolarHBondContact O-N 3.15Å; Y218-I222 HydrophobicContact CD1-CG1 4.3Å; Y218-I222 HydrophobicContact CD2-CD1 4.45Å; Y218-I222 HydrophobicContact CD2-CG1 4.03Å; Y218-I222 HydrophobicContact CE1-CG1 3.81Å; Y218-I222 HydrophobicContact CE2-CD1 3.64Å; Y218-I222 HydrophobicContact CE2-CG1 3.5Å; Y218-I222 HydrophobicContact CG-CG1 4.4Å; Y218-I222 VanDerWaalsContact O-CG1 3.3Å; Y218-I222 WeakPolarHBondContact O-CG1 3.31Å; Y218-I222 PolarHBondContact O-N 2.87Å; Y218-S275 WeakPolarHBondContact CE1-OG 3.42Å; Y218-S275 PolarHBondContact OH-OG 3.26Å; Y218-L276 HydrophobicContact CD1-CD2 4.27Å; Y218-L276 HydrophobicContact CE1-CD2 3.91Å
219	E	98.2	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-44.6	-179.1	-67.1	73.6	-169.3	0	0	111.5	R164 D165 R217 I222 L223 L276 Y306 Y315 L318	R164-E219 WeakPolarHBondContact CG-OE1 3.37Å; D165-E219 PolarHBondContact N-OE1 3.4Å; D165-E219 VanDerWaalsContact N-OE1 3.09Å; R217-E219 PolarHBondContact O-N 3.19Å; E219-I222 PolarHBondContact O-N 3.05Å; E219-L223 WeakPolarHBondContact O-CB 3.34Å; E219-L223 VanDerWaalsContact O-CG 3.24Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.15Å; E219-L276 HydrophobicContact CB-CD2 4.3Å; E219-L276 HydrophobicContact CG-CD2 4Å; E219-Y306 HydrophobicContact CG-CE1 4.34Å; E219-Y306 PolarHBondContact OE2-OH 2.85Å; E219-Y315 HydrophobicContact CB-CD1 4.32Å; E219-Y315 HydrophobicContact CB-CG 4.15Å; E219-Y315 HydrophobicContact CG-CD1 3.74Å; E219-Y315 HydrophobicContact CG-CD2 3.92Å; E219-Y315 HydrophobicContact CG-CE1 3.92Å; E219-Y315 HydrophobicContact CG-CE2 4.07Å; E219-Y315 HydrophobicContact CG-CG 3.73Å; E219-L318 HydrophobicContact CB-CD1 3.78Å
220	D	97.4	Very high	97.6	Very high	14 Å²	14	35.9 Å²	35.9	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-45.6	175.1	-65.2	-25.3	0	0	0	110.7	R217 I222 L223 N224 E228	R217-D220 HydrophobicContact CB-CB 4.26Å; R217-D220 WeakPolarHBondContact CB-OD2 3.35Å; R217-D220 IonicContact CZ-OD1 3.89Å; R217-D220 IonicContact CZ-OD2 3.55Å; R217-D220 IonicContact NE-OD1 2.59Å; R217-D220 IonicContact NE-OD2 3.78Å; R217-D220 PolarHBondContact NE-OD2 2.83Å; R217-D220 IonicContact NH2-OD1 2.71Å; R217-D220 PolarHBondContact NH2-OD1 2.89Å; R217-D220 IonicContact NH2-OD2 2.96Å; R217-D220 PolarHBondContact NH2-OD2 3.33Å; R217-D220 PolarHBondContact O-N 3.12Å; D220-I222 VanDerWaalsContact C-N 3.31Å; D220-I222 PolarHBondContact O-N 3.29Å; D220-L223 PolarHBondContact O-N 3Å; D220-N224 PolarHBondContact O-N 3.46Å; D220-E228 HydrophobicContact CB-CG 4.12Å
221	L	98	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-39	179.6	179.9	65.8	0	0	0	112.7	L67 M68 L71 M162 I216 R217 Y218 T225 E228 T229 I232	L67-L221 HydrophobicContact CD2-CD2 4.49Å; M68-L221 HydrophobicContact CE-CD1 4.35Å; M68-L221 HydrophobicContact CE-CD2 3.75Å; L71-L221 HydrophobicContact CD1-CD1 4.01Å; L71-L221 HydrophobicContact CD1-CD2 4.14Å; L71-L221 HydrophobicContact CD1-CG 4.36Å; M162-L221 HydrophobicContact CE-CD2 4.03Å; I216-L221 HydrophobicContact CG2-CB 4.15Å; R217-L221 PolarHBondContact O-N 2.96Å; R217-L221 VanDerWaalsContact O-N 3.08Å; Y218-L221 PolarHBondContact O-N 3.15Å; L221-T225 WeakPolarHBondContact O-CA 3.46Å; L221-T225 WeakPolarHBondContact O-CB 3.45Å; L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 3.46Å; L221-E228 HydrophobicContact CD1-CB 4Å; L221-T229 HydrophobicContact CD1-CG2 4.2Å; L221-I232 HydrophobicContact CD1-CD1 4.37Å
222	I	98	Very high	97.8	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.046	15%	0.15	C	C	.	.	H	α-helix	trans	-76.8	-36.6	179.4	-64.2	-62.6	0	0	0	111.8	L67 Y218 E219 D220 I271 R273 L276	L67-I222 HydrophobicContact CD2-CD1 3.54Å; Y218-I222 HydrophobicContact CD1-CG1 4.3Å; Y218-I222 HydrophobicContact CD2-CD1 4.45Å; Y218-I222 HydrophobicContact CD2-CG1 4.03Å; Y218-I222 HydrophobicContact CE1-CG1 3.81Å; Y218-I222 HydrophobicContact CE2-CD1 3.64Å; Y218-I222 HydrophobicContact CE2-CG1 3.5Å; Y218-I222 HydrophobicContact CG-CG1 4.4Å; Y218-I222 VanDerWaalsContact O-CG1 3.3Å; Y218-I222 WeakPolarHBondContact O-CG1 3.31Å; Y218-I222 PolarHBondContact O-N 2.87Å; E219-I222 PolarHBondContact O-N 3.05Å; D220-I222 VanDerWaalsContact C-N 3.31Å; D220-I222 PolarHBondContact O-N 3.29Å; I222-I271 HydrophobicContact CD1-CG2 3.71Å; I222-I271 HydrophobicContact CG2-CG2 4.43Å; I222-R273 HydrophobicContact CG2-CG 4.11Å; I222-L276 HydrophobicContact CB-CD2 4.16Å; I222-L276 HydrophobicContact CG1-CD2 4.47Å; I222-L276 HydrophobicContact CG2-CD1 4Å; I222-L276 HydrophobicContact CG2-CD2 4.16Å; I222-L276 HydrophobicContact CG2-CG 4.17Å
223	L	97.5	Very high	97.9	Very high	31 Å²	31	27.9 Å²	27.9	16%	0.162	14%	0.139	C	C	.	.	H	α-helix	trans	-78.1	-36	-177.6	-69	174.4	0	0	0	112.4	E219 D220 L276	E219-L223 WeakPolarHBondContact O-CB 3.34Å; E219-L223 VanDerWaalsContact O-CG 3.24Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.15Å; D220-L223 PolarHBondContact O-N 3Å; L223-L276 HydrophobicContact CD2-CD1 3.79Å; L223-L276 HydrophobicContact CG-CD1 4.19Å
224	N	97	Very high	97.9	Very high	72 Å²	72	35.7 Å²	35.7	39%	0.385	17%	0.172	S	C	.	.	S	Bend	trans	-130.8	49.2	-171.3	-48.7	-58.9	0	0	0	111.4	D220 L226 E227 E228	D220-N224 PolarHBondContact O-N 3.46Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.12Å; N224-E227 HydrophobicContact CB-CB 4.31Å; N224-E227 PolarHBondContact O-N 3.43Å; N224-E228 HydrophobicContact CB-CG 4.33Å; N224-E228 WeakPolarHBondContact O-CB 3.14Å; N224-E228 WeakPolarHBondContact O-CG 3.5Å; N224-E228 PolarHBondContact O-N 3.48Å
225	T	97.6	Very high	97.9	Very high	18 Å²	18	36.2 Å²	36.2	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-53.9	-42	-170.9	-53.9	0	0	0	0	113.5	L221 T229 L245 I271	L221-T225 WeakPolarHBondContact O-CA 3.46Å; L221-T225 WeakPolarHBondContact O-CB 3.45Å; L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 3.46Å; T225-T229 HydrophobicContact CG2-CG2 4.1Å; T225-T229 VanDerWaalsContact O-CB 3.29Å; T225-T229 WeakPolarHBondContact O-CB 3.47Å; T225-T229 WeakPolarHBondContact O-CG2 3.47Å; T225-T229 PolarHBondContact O-N 3.34Å; T225-T229 PolarHBondContact O-OG1 3.08Å; T225-L245 HydrophobicContact CG2-CD2 3.58Å; T225-I271 HydrophobicContact CG2-CD1 3.36Å
226	L	98	Very high	97.9	Very high	55 Å²	55	35.3 Å²	35.3	29%	0.288	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-47.7	-179.1	170.6	60.2	0	0	0	111.2	N224 T229 K230 W240 L245	N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.12Å; L226-T229 PolarHBondContact O-OG1 3.49Å; L226-K230 HydrophobicContact CD1-CD 4.12Å; L226-K230 HydrophobicContact CD1-CG 4.45Å; L226-K230 HydrophobicContact CG-CD 4.48Å; L226-K230 WeakPolarHBondContact O-CB 3.29Å; L226-K230 WeakPolarHBondContact O-CG 3.33Å; L226-K230 PolarHBondContact O-N 3.3Å; L226-W240 HydrophobicContact CD1-CH2 3.69Å; L226-W240 HydrophobicContact CD1-CZ2 3.42Å; L226-W240 VanDerWaalsContact CD1-CZ2 3.42Å; L226-L245 HydrophobicContact CB-CD1 4.42Å; L226-L245 HydrophobicContact CB-CD2 4.48Å; L226-L245 HydrophobicContact CD1-CD1 4.16Å
227	E	97.4	Very high	97.9	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	20%	0.2	S	C	.	.	H	α-helix	trans	-67.9	-48.2	-177.7	-64.7	68.5	-152.1	0	0	110.8	N224 T229 K230 I231	N224-E227 HydrophobicContact CB-CB 4.31Å; N224-E227 PolarHBondContact O-N 3.43Å; E227-T229 PolarHBondContact O-N 3.49Å; E227-K230 WeakPolarHBondContact O-CB 3.25Å; E227-K230 PolarHBondContact O-N 3.45Å; E227-I231 WeakPolarHBondContact O-CG1 3.31Å; E227-I231 PolarHBondContact O-N 3.36Å
228	E	97.6	Very high	97.9	Very high	30 Å²	30	41.6 Å²	41.6	14%	0.14	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-41.5	-179.6	-69.2	-61.3	145.4	0	0	111.8	D220 L221 N224 K230 I231 I232	D220-E228 HydrophobicContact CB-CG 4.12Å; L221-E228 HydrophobicContact CD1-CB 4Å; N224-E228 HydrophobicContact CB-CG 4.33Å; N224-E228 WeakPolarHBondContact O-CB 3.14Å; N224-E228 WeakPolarHBondContact O-CG 3.5Å; N224-E228 PolarHBondContact O-N 3.48Å; E228-K230 PolarHBondContact O-N 3.3Å; E228-I231 WeakPolarHBondContact O-CB 3.41Å; E228-I231 PolarHBondContact O-N 3.37Å; E228-I232 WeakPolarHBondContact O-CD1 3.46Å; E228-I232 VanDerWaalsContact O-CG1 3.25Å; E228-I232 WeakPolarHBondContact O-CG1 3.34Å; E228-I232 PolarHBondContact O-N 2.88Å
229	T	98.2	Very high	97.9	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-36.3	175.8	56.3	0	0	0	0	111.8	L71 L221 T225 L226 E227 I231 I232 F233 W240 I244	L71-T229 HydrophobicContact CD1-CG2 4.24Å; L221-T229 HydrophobicContact CD1-CG2 4.2Å; T225-T229 HydrophobicContact CG2-CG2 4.1Å; T225-T229 VanDerWaalsContact O-CB 3.29Å; T225-T229 WeakPolarHBondContact O-CB 3.47Å; T225-T229 WeakPolarHBondContact O-CG2 3.47Å; T225-T229 PolarHBondContact O-N 3.34Å; T225-T229 PolarHBondContact O-OG1 3.08Å; L226-T229 PolarHBondContact O-OG1 3.49Å; E227-T229 PolarHBondContact O-N 3.49Å; T229-I231 VanDerWaalsContact C-N 3.32Å; T229-I231 PolarHBondContact O-N 3.18Å; T229-I232 PolarHBondContact O-N 2.96Å; T229-F233 WeakPolarHBondContact O-CB 3.47Å; T229-F233 VanDerWaalsContact O-CD2 3.26Å; T229-F233 WeakPolarHBondContact O-CD2 3.26Å; T229-F233 PolarHBondContact O-N 3.04Å; T229-W240 PolarHBondContact OG1-NE1 3.19Å; T229-I244 HydrophobicContact CG2-CG2 3.81Å
230	K	98.2	Very high	97.9	Very high	110 Å²	110	49.2 Å²	49.2	48%	0.478	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-40.9	171.4	-79.8	175	172.4	174.6	0	112.3	L226 E227 E228 K234 W240	L226-K230 HydrophobicContact CD1-CD 4.12Å; L226-K230 HydrophobicContact CD1-CG 4.45Å; L226-K230 HydrophobicContact CG-CD 4.48Å; L226-K230 WeakPolarHBondContact O-CB 3.29Å; L226-K230 WeakPolarHBondContact O-CG 3.33Å; L226-K230 PolarHBondContact O-N 3.3Å; E227-K230 WeakPolarHBondContact O-CB 3.25Å; E227-K230 PolarHBondContact O-N 3.45Å; E228-K230 PolarHBondContact O-N 3.3Å; K230-K234 VanDerWaalsContact O-CB 3.27Å; K230-K234 WeakPolarHBondContact O-CB 3.36Å; K230-K234 PolarHBondContact O-N 2.95Å; K230-W240 HydrophobicContact CG-CD2 4.38Å; K230-W240 HydrophobicContact CG-CG 4.09Å
231	I	97.4	Very high	97.9	Very high	79 Å²	79	50.8 Å²	50.8	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.2	-67.8	165.7	0	0	0	110.5	L214 E227 E228 T229 F235	L214-I231 HydrophobicContact CD2-CG2 4.34Å; E227-I231 WeakPolarHBondContact O-CG1 3.31Å; E227-I231 PolarHBondContact O-N 3.36Å; E228-I231 WeakPolarHBondContact O-CB 3.41Å; E228-I231 PolarHBondContact O-N 3.37Å; T229-I231 VanDerWaalsContact C-N 3.32Å; T229-I231 PolarHBondContact O-N 3.18Å; I231-F235 WeakPolarHBondContact O-CB 3.42Å; I231-F235 PolarHBondContact O-N 3.3Å
232	I	98.3	Very high	97.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-48.5	179.8	-67.6	156.7	0	0	0	111.2	M68 L72 I160 L214 I216 L221 E228 T229 F235 L236	M68-I232 HydrophobicContact CE-CD1 3.37Å; M68-I232 HydrophobicContact CE-CG1 4.46Å; M68-I232 HydrophobicContact SD-CD1 3.87Å; L72-I232 HydrophobicContact CD2-CG2 4.08Å; I160-I232 HydrophobicContact CD1-CG2 3.79Å; L214-I232 HydrophobicContact CD2-CG1 4.04Å; I216-I232 HydrophobicContact CD1-CD1 4.22Å; I216-I232 HydrophobicContact CD1-CG1 3.91Å; I216-I232 HydrophobicContact CG1-CD1 4.13Å; I216-I232 HydrophobicContact CG1-CG1 4.06Å; L221-I232 HydrophobicContact CD1-CD1 4.37Å; E228-I232 WeakPolarHBondContact O-CD1 3.46Å; E228-I232 VanDerWaalsContact O-CG1 3.25Å; E228-I232 WeakPolarHBondContact O-CG1 3.34Å; E228-I232 PolarHBondContact O-N 2.88Å; T229-I232 PolarHBondContact O-N 2.96Å; I232-F235 CarbonylContact O-C 3.44Å; I232-F235 WeakPolarHBondContact O-CB 3.48Å; I232-F235 PolarHBondContact O-N 2.87Å; I232-F235 VanDerWaalsContact O-N 3.15Å; I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 HydrophobicContact CG2-CG 4.41Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.3Å; I232-L236 PolarHBondContact O-N 3.3Å
233	F	98.5	Very high	97.9	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-37.5	-178.4	-86.4	-97.3	0	0	0	112.4	L72 H75 I78 T229 L236 D237 I238 P239 W240 I244	L72-F233 HydrophobicContact CD2-CD2 4.43Å; L72-F233 HydrophobicContact CD2-CE2 3.56Å; L72-F233 HydrophobicContact CD2-CZ 3.74Å; H75-F233 HydrophobicContact CB-CE1 4.01Å; H75-F233 HydrophobicContact CB-CZ 3.96Å; H75-F233 AromaticContact CD2-CE1 3.3Å; H75-F233 WeakPolarHBondContact CD2-CE1 3.16Å; H75-F233 AromaticContact CD2-CZ 3.9Å; H75-F233 AromaticContact CG-CE1 3.57Å; H75-F233 AromaticContact NE2-CE1 3.87Å; I78-F233 HydrophobicContact CD1-CE1 3.71Å; I78-F233 HydrophobicContact CD1-CZ 3.96Å; T229-F233 WeakPolarHBondContact O-CB 3.47Å; T229-F233 VanDerWaalsContact O-CD2 3.26Å; T229-F233 WeakPolarHBondContact O-CD2 3.26Å; T229-F233 PolarHBondContact O-N 3.04Å; F233-L236 PolarHBondContact O-N 3.14Å; F233-D237 PolarHBondContact O-N 3.08Å; F233-D237 VanDerWaalsContact O-N 3.15Å; F233-I238 CarbonylContact C-O 3.59Å; F233-I238 WeakPolarHBondContact CB-O 3.45Å; F233-I238 HydrophobicContact CD1-CB 4.04Å; F233-I238 HydrophobicContact CD1-CG2 3.93Å; F233-I238 HydrophobicContact CE1-CG2 4.09Å; F233-I238 PolarHBondContact O-N 2.88Å; F233-I238 VanDerWaalsContact O-N 3.08Å; F233-I238 VanDerWaalsContact O-O 3.1Å; F233-P239 WeakPolarHBondContact CD1-O 3.43Å; F233-W240 HydrophobicContact CB-CB 4.13Å; F233-W240 HydrophobicContact CG-CB 4.44Å; F233-I244 HydrophobicContact CD1-CD1 4.46Å; F233-I244 HydrophobicContact CD2-CD1 3.81Å; F233-I244 HydrophobicContact CE1-CD1 3.98Å; F233-I244 HydrophobicContact CE2-CD1 3.23Å; F233-I244 HydrophobicContact CE2-CG1 4.19Å; F233-I244 HydrophobicContact CG-CD1 4.39Å; F233-I244 HydrophobicContact CZ-CD1 3.32Å; F233-I244 HydrophobicContact CZ-CG1 4.1Å
234	K	98.3	Very high	97.9	Very high	171 Å²	171	54.5 Å²	54.5	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-59.8	-46.1	168.1	-177.5	179.1	179.1	179.9	0	111.5	K230 L236 D237	K230-K234 VanDerWaalsContact O-CB 3.27Å; K230-K234 WeakPolarHBondContact O-CB 3.36Å; K230-K234 PolarHBondContact O-N 2.95Å; K234-L236 PolarHBondContact O-N 3.47Å; K234-D237 PolarHBondContact O-N 3.27Å
235	F	98.1	Very high	97.9	Very high	26 Å²	26	53.9 Å²	53.9	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-33.8	176	161.5	-102.8	0	0	0	112.1	K158 I160 L214 I231 I232 D237	K158-F235 HydrophobicContact CB-CE1 3.85Å; K158-F235 HydrophobicContact CB-CZ 3.78Å; K158-F235 HydrophobicContact CD-CE1 4.21Å; K158-F235 HydrophobicContact CD-CE2 4.38Å; K158-F235 HydrophobicContact CD-CZ 4.11Å; K158-F235 VanDerWaalsContact CD-O 3.25Å; K158-F235 WeakPolarHBondContact CD-O 3.18Å; K158-F235 VanDerWaalsContact CE-O 3.27Å; K158-F235 WeakPolarHBondContact CE-O 3.21Å; K158-F235 HydrophobicContact CG-CE1 4.41Å; K158-F235 HydrophobicContact CG-CZ 4.07Å; K158-F235 PolarHBondContact NZ-O 3.19Å; I160-F235 HydrophobicContact CG1-CE1 4.1Å; L214-F235 HydrophobicContact CB-CD1 3.82Å; L214-F235 HydrophobicContact CB-CD2 4.05Å; L214-F235 HydrophobicContact CB-CE1 3.75Å; L214-F235 HydrophobicContact CB-CE2 3.98Å; L214-F235 HydrophobicContact CB-CG 3.96Å; L214-F235 HydrophobicContact CB-CZ 3.83Å; L214-F235 HydrophobicContact CD2-CB 3.74Å; L214-F235 HydrophobicContact CD2-CD1 3.74Å; L214-F235 HydrophobicContact CD2-CD2 4.47Å; L214-F235 HydrophobicContact CD2-CE1 4.47Å; L214-F235 HydrophobicContact CD2-CG 3.72Å; L214-F235 HydrophobicContact CG-CD1 4.45Å; L214-F235 HydrophobicContact CG-CG 4.43Å; I231-F235 WeakPolarHBondContact O-CB 3.42Å; I231-F235 PolarHBondContact O-N 3.3Å; I232-F235 CarbonylContact O-C 3.44Å; I232-F235 WeakPolarHBondContact O-CB 3.48Å; I232-F235 PolarHBondContact O-N 2.87Å; I232-F235 VanDerWaalsContact O-N 3.15Å; F235-D237 VanDerWaalsContact C-N 3.33Å
236	L	98.1	Very high	97.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-80.1	-10.3	179.6	-68.8	175.1	0	0	0	114.2	I55 L72 I78 K158 I160 I232 F233 K234 I238	I55-L236 HydrophobicContact CD1-CD1 3.67Å; I55-L236 HydrophobicContact CD1-CD2 3.69Å; I55-L236 HydrophobicContact CD1-CG 4.22Å; I55-L236 HydrophobicContact CG1-CD2 3.76Å; I55-L236 HydrophobicContact CG2-CD2 4.12Å; L72-L236 HydrophobicContact CD1-CD1 4.13Å; L72-L236 HydrophobicContact CD2-CD1 4.01Å; I78-L236 HydrophobicContact CD1-CD1 4.49Å; K158-L236 HydrophobicContact CB-CD2 4.1Å; K158-L236 HydrophobicContact CD-CD2 4.18Å; K158-L236 PolarHBondContact NZ-O 2.86Å; I160-L236 HydrophobicContact CD1-CD1 4.23Å; I160-L236 HydrophobicContact CD1-CD2 4.29Å; I232-L236 HydrophobicContact CG2-CD1 3.93Å; I232-L236 HydrophobicContact CG2-CG 4.41Å; I232-L236 VanDerWaalsContact O-CG 3.28Å; I232-L236 WeakPolarHBondContact O-CG 3.3Å; I232-L236 PolarHBondContact O-N 3.3Å; F233-L236 PolarHBondContact O-N 3.14Å; K234-L236 PolarHBondContact O-N 3.47Å; L236-I238 VanDerWaalsContact C-N 3.33Å; L236-I238 HydrophobicContact CB-CB 4.47Å; L236-I238 HydrophobicContact CB-CD1 4.15Å; L236-I238 HydrophobicContact CB-CG1 4.17Å
237	D	97.7	Very high	97.9	Very high	128 Å²	128	56.4 Å²	56.4	68%	0.684	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	41.5	-168.1	-52.6	-42.8	0	0	0	112.7	K158 F233 K234 F235	K158-D237 IonicContact NZ-OD1 3.58Å; K158-D237 IonicContact NZ-OD2 3.69Å; K158-D237 PolarHBondContact NZ-OD2 3.05Å; F233-D237 PolarHBondContact O-N 3.08Å; F233-D237 VanDerWaalsContact O-N 3.15Å; K234-D237 PolarHBondContact O-N 3.27Å; F235-D237 VanDerWaalsContact C-N 3.33Å
238	I	97.6	Very high	97.8	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.051	27%	0.268	C	S	.	.			trans	-124.7	134.3	178.4	-60.4	175.8	0	0	0	108.5	I55 I78 R135 F233 L236 W240	I55-I238 HydrophobicContact CD1-CD1 4.42Å; I78-I238 HydrophobicContact CD1-CD1 3.68Å; I78-I238 HydrophobicContact CD1-CG2 4.49Å; I78-I238 HydrophobicContact CG1-CD1 3.79Å; R135-I238 HydrophobicContact CB-CD1 3.93Å; R135-I238 HydrophobicContact CG-CD1 3.83Å; F233-I238 CarbonylContact C-O 3.59Å; F233-I238 WeakPolarHBondContact CB-O 3.45Å; F233-I238 HydrophobicContact CD1-CB 4.04Å; F233-I238 HydrophobicContact CD1-CG2 3.93Å; F233-I238 HydrophobicContact CE1-CG2 4.09Å; F233-I238 PolarHBondContact O-N 2.88Å; F233-I238 VanDerWaalsContact O-N 3.08Å; F233-I238 VanDerWaalsContact O-O 3.1Å; L236-I238 VanDerWaalsContact C-N 3.33Å; L236-I238 HydrophobicContact CB-CB 4.47Å; L236-I238 HydrophobicContact CB-CD1 4.15Å; L236-I238 HydrophobicContact CB-CG1 4.17Å; I238-W240 PolarHBondContact O-N 3.21Å
239	P	98	Very high	97.8	Very high	104 Å²	104	56.2 Å²	56.2	68%	0.675	29%	0.285	S	S	*	.			trans	-54	140.2	173.6	-25.5	35.1	0	0	0	111.4	H75 F233	H75-P239 PolarHBondContact NE2-O 2.86Å; F233-P239 WeakPolarHBondContact CD1-O 3.43Å
240	W	98.5	Very high	97.7	Very high	72 Å²	72	57.3 Å²	57.3	27%	0.273	29%	0.291	S	S	.	.			trans	-79.8	138.8	176.7	179.5	94.4	0	0	0	110.5	L226 T229 K230 F233 I238 P242 I244 L245	L226-W240 HydrophobicContact CD1-CH2 3.69Å; L226-W240 HydrophobicContact CD1-CZ2 3.42Å; L226-W240 VanDerWaalsContact CD1-CZ2 3.42Å; T229-W240 PolarHBondContact OG1-NE1 3.19Å; K230-W240 HydrophobicContact CG-CD2 4.38Å; K230-W240 HydrophobicContact CG-CG 4.09Å; F233-W240 HydrophobicContact CB-CB 4.13Å; F233-W240 HydrophobicContact CG-CB 4.44Å; I238-W240 PolarHBondContact O-N 3.21Å; W240-P242 HydrophobicContact CH2-CB 3.86Å; W240-P242 VanDerWaalsContact CZ3-CA 3.5Å; W240-P242 HydrophobicContact CZ3-CB 3.78Å; W240-P242 HydrophobicContact CZ3-CG 4.38Å; W240-I244 HydrophobicContact CG-CD1 4.32Å; W240-L245 HydrophobicContact CH2-CD1 4.03Å; W240-L245 HydrophobicContact CH2-CG 4.35Å; W240-L245 HydrophobicContact CZ2-CD1 3.9Å; W240-L245 HydrophobicContact CZ2-CD2 4.43Å; W240-L245 HydrophobicContact CZ2-CG 3.86Å
241	D	98.2	Very high	97.5	Very high	46 Å²	46	52 Å²	52	25%	0.246	27%	0.268	C	S	.	.			trans	-118	131.7	178.9	-168.5	-55.1	0	0	0	111.4	H75 I243 I244	H75-D241 VanDerWaalsContact CD2-CB 3.45Å; H75-D241 WeakPolarHBondContact CD2-CB 3.4Å; D241-I243 HydrophobicContact CB-CG2 3.96Å; D241-I243 PolarHBondContact O-N 3.44Å; D241-I243 WeakPolarHBondContact OD1-CB 3.35Å; D241-I243 WeakPolarHBondContact OD1-CG2 3.32Å; D241-I243 PolarHBondContact OD1-N 3.07Å; D241-I244 WeakPolarHBondContact O-CB 3.45Å; D241-I244 WeakPolarHBondContact O-CD1 3.2Å; D241-I244 WeakPolarHBondContact O-CG1 3.49Å; D241-I244 PolarHBondContact O-N 2.97Å
242	P	97.7	Very high	97.3	Very high	79 Å²	79	55 Å²	55	51%	0.513	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.1	-16.4	178.1	25.7	-35.7	0	0	0	115.2	W240 I244 L245	W240-P242 HydrophobicContact CH2-CB 3.86Å; W240-P242 VanDerWaalsContact CZ3-CA 3.5Å; W240-P242 HydrophobicContact CZ3-CB 3.78Å; W240-P242 HydrophobicContact CZ3-CG 4.38Å; P242-I244 PolarHBondContact O-N 2.96Å; P242-L245 PolarHBondContact O-N 3.48Å
243	I	97.4	Very high	96.9	Very high	39 Å²	39	63.7 Å²	63.7	20%	0.2	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-57.7	-29.3	175.8	-163.9	56	0	0	0	112.7	V74 D241 L245 K246 H247 V250	V74-I243 HydrophobicContact CG2-CG2 4.49Å; V74-I243 WeakPolarHBondContact O-CG2 3.19Å; D241-I243 HydrophobicContact CB-CG2 3.96Å; D241-I243 PolarHBondContact O-N 3.44Å; D241-I243 WeakPolarHBondContact OD1-CB 3.35Å; D241-I243 WeakPolarHBondContact OD1-CG2 3.32Å; D241-I243 PolarHBondContact OD1-N 3.07Å; I243-L245 PolarHBondContact O-N 3.21Å; I243-K246 CarbonylContact O-C 3.54Å; I243-K246 VanDerWaalsContact O-C 3.23Å; I243-K246 WeakPolarHBondContact O-CA 3.38Å; I243-K246 PolarHBondContact O-N 3.3Å; I243-H247 PolarHBondContact O-N 2.95Å; I243-H247 VanDerWaalsContact O-N 3.15Å; I243-V250 HydrophobicContact CD1-CB 4.42Å; I243-V250 HydrophobicContact CD1-CG1 3.76Å; I243-V250 HydrophobicContact CD1-CG2 3.8Å; I243-V250 HydrophobicContact CG1-CG1 4.45Å; I243-V250 HydrophobicContact CG1-CG2 3.75Å
244	I	97.3	Very high	96.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-56.9	-39.3	179.9	-59.9	160.6	0	0	0	111	L71 T229 F233 W240 D241 P242 K246 H247	L71-I244 HydrophobicContact CB-CG2 3.92Å; L71-I244 HydrophobicContact CD2-CG2 3.96Å; L71-I244 WeakPolarHBondContact CD2-O 3.3Å; L71-I244 HydrophobicContact CG-CG2 4.39Å; T229-I244 HydrophobicContact CG2-CG2 3.81Å; F233-I244 HydrophobicContact CD1-CD1 4.46Å; F233-I244 HydrophobicContact CD2-CD1 3.81Å; F233-I244 HydrophobicContact CE1-CD1 3.98Å; F233-I244 HydrophobicContact CE2-CD1 3.23Å; F233-I244 HydrophobicContact CE2-CG1 4.19Å; F233-I244 HydrophobicContact CG-CD1 4.39Å; F233-I244 HydrophobicContact CZ-CD1 3.32Å; F233-I244 HydrophobicContact CZ-CG1 4.1Å; W240-I244 HydrophobicContact CG-CD1 4.32Å; D241-I244 WeakPolarHBondContact O-CB 3.45Å; D241-I244 WeakPolarHBondContact O-CD1 3.2Å; D241-I244 WeakPolarHBondContact O-CG1 3.49Å; D241-I244 PolarHBondContact O-N 2.97Å; P242-I244 PolarHBondContact O-N 2.96Å; I244-K246 PolarHBondContact O-N 3.31Å; I244-H247 PolarHBondContact O-N 2.96Å
245	L	97.6	Very high	96.1	Very high	60 Å²	60	60 Å²	60	31%	0.314	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-74	-10.2	179.4	-60.1	-176	0	0	0	113.6	T225 L226 W240 P242 I243	T225-L245 HydrophobicContact CG2-CD2 3.58Å; L226-L245 HydrophobicContact CB-CD1 4.42Å; L226-L245 HydrophobicContact CB-CD2 4.48Å; L226-L245 HydrophobicContact CD1-CD1 4.16Å; W240-L245 HydrophobicContact CH2-CD1 4.03Å; W240-L245 HydrophobicContact CH2-CG 4.35Å; W240-L245 HydrophobicContact CZ2-CD1 3.9Å; W240-L245 HydrophobicContact CZ2-CD2 4.43Å; W240-L245 HydrophobicContact CZ2-CG 3.86Å; P242-L245 PolarHBondContact O-N 3.48Å; I243-L245 PolarHBondContact O-N 3.21Å
246	K	97.2	Very high	95.8	Very high	125 Å²	125	62 Å²	62	54%	0.543	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-123.7	28.1	-179.3	-57.7	-178.7	-177.6	177.6	0	111	I243 I244 E248 T249	I243-K246 CarbonylContact O-C 3.54Å; I243-K246 VanDerWaalsContact O-C 3.23Å; I243-K246 WeakPolarHBondContact O-CA 3.38Å; I243-K246 PolarHBondContact O-N 3.3Å; I244-K246 PolarHBondContact O-N 3.31Å; K246-E248 WeakPolarHBondContact CA-OE2 3.3Å; K246-E248 PolarHBondContact O-N 3.3Å; K246-E248 VanDerWaalsContact O-N 3.08Å; K246-T249 HydrophobicContact CB-CG2 4.15Å; K246-T249 WeakPolarHBondContact O-CB 3.34Å; K246-T249 PolarHBondContact O-N 3.26Å; K246-T249 PolarHBondContact O-OG1 2.92Å
247	H	97.6	Very high	95.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-49.3	-38.5	-176.4	73.4	-66.3	0	0	0	112.9	I70 L71 V74 I243 I244 T249 V250 I251 V267 N269	I70-H247 HydrophobicContact CG2-CB 4.26Å; L71-H247 HydrophobicContact CD2-CB 4.22Å; V74-H247 HydrophobicContact CG1-CB 3.96Å; V74-H247 HydrophobicContact CG2-CB 3.94Å; I243-H247 PolarHBondContact O-N 2.95Å; I243-H247 VanDerWaalsContact O-N 3.15Å; I244-H247 PolarHBondContact O-N 2.96Å; H247-T249 PolarHBondContact O-N 2.85Å; H247-T249 VanDerWaalsContact O-N 3.14Å; H247-V250 PolarHBondContact O-N 3Å; H247-V250 VanDerWaalsContact O-N 3.12Å; H247-I251 WeakPolarHBondContact O-CB 3.19Å; H247-I251 PolarHBondContact O-N 2.88Å; H247-V267 PolarHBondContact CD2-O 3.49Å; H247-V267 PolarHBondContact NE2-O 2.98Å; H247-N269 PolarHBondContact CE1-O 3.26Å; H247-N269 PolarHBondContact NE2-O 3.33Å
248	E	97.2	Very high	95.3	Very high	44 Å²	44	59.5 Å²	59.5	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-25.5	-179.9	73	-78.1	-172.8	0	0	113.2	K246 I268 K270	K246-E248 WeakPolarHBondContact CA-OE2 3.3Å; K246-E248 PolarHBondContact O-N 3.3Å; K246-E248 VanDerWaalsContact O-N 3.08Å; E248-I268 WeakPolarHBondContact CB-O 3.25Å; E248-K270 HydrophobicContact CG-CB 4.02Å
249	T	96.9	Very high	95	Very high	82 Å²	82	64.4 Å²	64.4	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-80.4	-19	-178.3	70.1	0	0	0	0	113.1	K246 H247	K246-T249 HydrophobicContact CB-CG2 4.15Å; K246-T249 WeakPolarHBondContact O-CB 3.34Å; K246-T249 PolarHBondContact O-N 3.26Å; K246-T249 PolarHBondContact O-OG1 2.92Å; H247-T249 PolarHBondContact O-N 2.85Å; H247-T249 VanDerWaalsContact O-N 3.14Å
250	V	96.1	Very high	94.7	Very high	24 Å²	24	69.8 Å²	69.8	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-127.2	-10.3	-174.1	-67.1	0	0	0	0	114.4	V74 I243 H247 H252 K253 I254	V74-V250 HydrophobicContact CB-CG2 4.06Å; V74-V250 HydrophobicContact CG1-CG2 3.97Å; I243-V250 HydrophobicContact CD1-CB 4.42Å; I243-V250 HydrophobicContact CD1-CG1 3.76Å; I243-V250 HydrophobicContact CD1-CG2 3.8Å; I243-V250 HydrophobicContact CG1-CG1 4.45Å; I243-V250 HydrophobicContact CG1-CG2 3.75Å; H247-V250 PolarHBondContact O-N 3Å; H247-V250 VanDerWaalsContact O-N 3.12Å; V250-H252 VanDerWaalsContact C-N 3.27Å; V250-H252 PolarHBondContact O-N 3.43Å; V250-H252 VanDerWaalsContact O-N 3.14Å; V250-K253 WeakPolarHBondContact O-CA 3.26Å; V250-K253 WeakPolarHBondContact O-CB 3.39Å; V250-K253 PolarHBondContact O-N 3.28Å; V250-I254 HydrophobicContact CB-CD1 3.74Å; V250-I254 HydrophobicContact CB-CG1 4.24Å; V250-I254 HydrophobicContact CG1-CD1 4.43Å; V250-I254 HydrophobicContact CG2-CD1 3.87Å; V250-I254 PolarHBondContact O-N 3.26Å; V250-I254 VanDerWaalsContact O-N 3.08Å
251	I	94.2	Very high	94.3	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-51.2	-42.8	-174.7	-167.6	175	0	0	0	113	I70 H247 K253 I254 S255 L257 V267 I268	I70-I251 HydrophobicContact CD1-CD1 4Å; I70-I251 HydrophobicContact CD1-CG1 4.29Å; I70-I251 HydrophobicContact CG1-CD1 4.19Å; I70-I251 HydrophobicContact CG2-CD1 3.61Å; I70-I251 HydrophobicContact CG2-CG1 4.06Å; H247-I251 WeakPolarHBondContact O-CB 3.19Å; H247-I251 PolarHBondContact O-N 2.88Å; I251-K253 PolarHBondContact O-N 3.17Å; I251-I254 PolarHBondContact O-N 3.26Å; I251-S255 WeakPolarHBondContact O-CB 3.49Å; I251-S255 PolarHBondContact O-N 3.26Å; I251-L257 HydrophobicContact CD1-CD1 4.14Å; I251-L257 HydrophobicContact CD1-CD2 4.01Å; I251-L257 HydrophobicContact CG1-CD1 4.3Å; I251-L257 HydrophobicContact CG1-CD2 4.34Å; I251-V267 HydrophobicContact CD1-CG2 4.13Å; I251-V267 VanDerWaalsContact CD1-O 3.29Å; I251-V267 WeakPolarHBondContact CD1-O 3.29Å; I251-I268 HydrophobicContact CD1-CG2 4.32Å
252	H	92.4	Very high	94	Very high	142 Å²	142	67.4 Å²	67.4	66%	0.657	35%	0.352	S	S	*	.	H	α-helix	trans	-69.9	-18	180	-68.3	-65.5	0	0	0	114.4	V250	V250-H252 VanDerWaalsContact C-N 3.27Å; V250-H252 PolarHBondContact O-N 3.43Å; V250-H252 VanDerWaalsContact O-N 3.14Å
253	K	91.1	Very high	93.7	Very high	183 Å²	183	64.6 Å²	64.6	80%	0.796	33%	0.334	S	S	*	.	H	α-helix	trans	-94.1	-34.1	179.1	-62.5	-179.7	-179.9	177.8	0	112	V250 I251	V250-K253 WeakPolarHBondContact O-CA 3.26Å; V250-K253 WeakPolarHBondContact O-CB 3.39Å; V250-K253 PolarHBondContact O-N 3.28Å; I251-K253 PolarHBondContact O-N 3.17Å
254	I	89.6	Confident	93.5	Very high	85 Å²	85	63.4 Å²	63.4	44%	0.436	33%	0.329	S	S	.	.	H	α-helix	trans	-107.9	-44.4	-168.1	-55	179.6	0	0	0	111.7	D73 V250 I251	D73-I254 WeakPolarHBondContact O-CG2 3.47Å; V250-I254 HydrophobicContact CB-CD1 3.74Å; V250-I254 HydrophobicContact CB-CG1 4.24Å; V250-I254 HydrophobicContact CG1-CD1 4.43Å; V250-I254 HydrophobicContact CG2-CD1 3.87Å; V250-I254 PolarHBondContact O-N 3.26Å; V250-I254 VanDerWaalsContact O-N 3.08Å; I251-I254 PolarHBondContact O-N 3.26Å
255	S	90.2	Very high	93.2	Very high	10 Å²	10	71.9 Å²	71.9	7%	0.07	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-96.5	138.2	-172.5	-175.8	0	0	0	0	112.1	I70 D73 I251	I70-S255 WeakPolarHBondContact CD1-OG 3.4Å; D73-S255 VanDerWaalsContact OD2-CB 3.26Å; D73-S255 WeakPolarHBondContact OD2-CB 3.38Å; D73-S255 PolarHBondContact OD2-OG 3.03Å; I251-S255 WeakPolarHBondContact O-CB 3.49Å; I251-S255 PolarHBondContact O-N 3.26Å
256	S	91.6	Very high	93	Very high	69 Å²	69	73 Å²	73	48%	0.483	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-82.1	118.1	169.4	-67.5	0	0	0	0	110.5	R69	R69-S256 PolarHBondContact NH1-O 3.34Å
257	L	92.4	Very high	92.9	Very high	51 Å²	51	67.3 Å²	67.3	27%	0.267	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-101.9	127.7	175.7	-62.9	178.7	0	0	0	110.3	I70 I251 V267 I268	I70-L257 HydrophobicContact CD1-CD2 3.84Å; I251-L257 HydrophobicContact CD1-CD1 4.14Å; I251-L257 HydrophobicContact CD1-CD2 4.01Å; I251-L257 HydrophobicContact CG1-CD1 4.3Å; I251-L257 HydrophobicContact CG1-CD2 4.34Å; L257-V267 HydrophobicContact CD2-CG2 4.03Å; L257-I268 HydrophobicContact CD1-CG2 3.55Å
258	S	92.7	Very high	92.8	Very high	25 Å²	25	70.1 Å²	70.1	18%	0.175	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-87	130.7	171.5	173.7	0	0	0	0	110.2	Y260 E261 S264	S258-Y260 PolarHBondContact O-N 2.94Å; S258-Y260 PolarHBondContact OG-N 3.01Å; S258-E261 PolarHBondContact O-N 3.13Å; S258-S264 WeakPolarHBondContact O-CB 3.41Å; S258-S264 PolarHBondContact O-OG 3.25Å
259	P	91	Very high	92.7	Very high	113 Å²	113	71.6 Å²	71.6	73%	0.734	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17	174.2	29.1	-34.8	0	0	0	112.6
260	Y	90.9	Very high	92.7	Very high	217 Å²	217	74.3 Å²	74.3	85%	0.851	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.8	179.1	-55.3	-73.3	0	0	0	113.4	S258	S258-Y260 PolarHBondContact O-N 2.94Å; S258-Y260 PolarHBondContact OG-N 3.01Å
261	E	91.9	Very high	92.8	Very high	17 Å²	17	75 Å²	75	8%	0.079	38%	0.376	C	S	.	.			trans	-82.5	121.4	174.7	-84.3	177.7	-132.5	0	0	111.3	R69 P82 E83 K139 S258 S263 S264	R69-E261 IonicContact CZ-OE2 2.92Å; R69-E261 IonicContact NE-OE2 3.16Å; R69-E261 IonicContact NH2-OE1 3.4Å; R69-E261 IonicContact NH2-OE2 3.79Å; R69-E261 PolarHBondContact NH2-OE2 2.92Å; P82-E261 WeakPolarHBondContact CA-OE1 3.29Å; P82-E261 VanDerWaalsContact CB-OE1 3.28Å; P82-E261 WeakPolarHBondContact CB-OE1 3.24Å; E83-E261 HydrophobicContact CG-CG 4.07Å; E83-E261 PolarHBondContact N-OE1 2.92Å; K139-E261 IonicContact NZ-OE2 2.71Å; K139-E261 PolarHBondContact NZ-OE2 3.31Å; S258-E261 PolarHBondContact O-N 3.13Å; E261-S263 PolarHBondContact O-N 2.81Å; E261-S264 WeakPolarHBondContact CB-OG 3.49Å; E261-S264 WeakPolarHBondContact O-CB 3.49Å; E261-S264 PolarHBondContact O-N 2.73Å; E261-S264 PolarHBondContact O-OG 3.4Å
262	A	90.5	Very high	92.8	Very high	51 Å²	51	78 Å²	78	42%	0.421	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.9	179.4	0	0	0	0	0	114	R176 V178	R176-A262 PolarHBondContact NH1-O 3.09Å; V178-A262 HydrophobicContact CG2-CB 3.97Å
263	S	91.8	Very high	93	Very high	19 Å²	19	78.9 Å²	78.9	13%	0.133	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.6	177.2	51.9	0	0	0	0	114.3	E261 K265 Q266 V267	E261-S263 PolarHBondContact O-N 2.81Å; S263-K265 VanDerWaalsContact C-N 3.25Å; S263-K265 PolarHBondContact O-N 3.08Å; S263-Q266 PolarHBondContact O-N 2.95Å; S263-V267 PolarHBondContact O-N 3.22Å
264	S	92.3	Very high	93.2	Very high	14 Å²	14	76.3 Å²	76.3	10%	0.098	38%	0.383	C	S	.	.	H	α-helix	trans	-57.2	-37.2	-173.2	-67.5	0	0	0	0	113	S258 E261 Q266 I268	S258-S264 WeakPolarHBondContact O-CB 3.41Å; S258-S264 PolarHBondContact O-OG 3.25Å; E261-S264 WeakPolarHBondContact CB-OG 3.49Å; E261-S264 WeakPolarHBondContact O-CB 3.49Å; E261-S264 PolarHBondContact O-N 2.73Å; E261-S264 PolarHBondContact O-OG 3.4Å; S264-Q266 PolarHBondContact O-N 3.31Å; S264-I268 WeakPolarHBondContact O-CG2 3.48Å
265	K	91.8	Very high	93.4	Very high	179 Å²	179	73 Å²	73	78%	0.778	37%	0.368	S	S	*	.	H	α-helix	trans	-67.8	-21.1	176.5	-62.4	-177.3	-179.9	-179.6	0	114	S263 N269	S263-K265 VanDerWaalsContact C-N 3.25Å; S263-K265 PolarHBondContact O-N 3.08Å; K265-N269 PolarHBondContact O-ND2 3.5Å; K265-N269 VanDerWaalsContact O-ND2 3.14Å
266	Q	93.5	Very high	93.7	Very high	82 Å²	82	73.1 Å²	73.1	38%	0.383	37%	0.367	S	S	.	.	H	α-helix	trans	-96.8	-42.4	-175	-60.6	177.9	-73.1	0	0	111.4	R176 S263 S264 I268 N269	R176-Q266 VanDerWaalsContact NH1-OE1 3.09Å; S263-Q266 PolarHBondContact O-N 2.95Å; S264-Q266 PolarHBondContact O-N 3.31Å; Q266-I268 PolarHBondContact O-N 3.03Å; Q266-N269 PolarHBondContact O-N 3.07Å; Q266-N269 PolarHBondContact O-ND2 3.12Å
267	V	95.2	Very high	93.9	Very high	7 Å²	7	73.5 Å²	73.5	4%	0.042	36%	0.363	C	S	.	.	H	α-helix	trans	-72.7	-11.3	-173.6	-60	0	0	0	0	114.5	I70 H247 I251 L257 S263	I70-V267 HydrophobicContact CG1-CB 3.95Å; I70-V267 HydrophobicContact CG1-CG1 4.35Å; I70-V267 HydrophobicContact CG1-CG2 3.97Å; H247-V267 PolarHBondContact CD2-O 3.49Å; H247-V267 PolarHBondContact NE2-O 2.98Å; I251-V267 HydrophobicContact CD1-CG2 4.13Å; I251-V267 VanDerWaalsContact CD1-O 3.29Å; I251-V267 WeakPolarHBondContact CD1-O 3.29Å; L257-V267 HydrophobicContact CD2-CG2 4.03Å; S263-V267 PolarHBondContact O-N 3.22Å
268	I	95	Very high	94	Very high	58 Å²	58	73.7 Å²	73.7	30%	0.297	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.8	172.7	58.2	170.1	0	0	0	112.8	E248 I251 L257 S264 Q266	E248-I268 WeakPolarHBondContact CB-O 3.25Å; I251-I268 HydrophobicContact CD1-CG2 4.32Å; L257-I268 HydrophobicContact CD1-CG2 3.55Å; S264-I268 WeakPolarHBondContact O-CG2 3.48Å; Q266-I268 PolarHBondContact O-N 3.03Å
269	N	96.1	Very high	94.1	Very high	75 Å²	75	72.5 Å²	72.5	40%	0.401	36%	0.361	S	S	.	.	S	Bend	trans	-91.4	151.9	-177	-53.9	-70.2	0	0	0	110.4	H247 K265 Q266	H247-N269 PolarHBondContact CE1-O 3.26Å; H247-N269 PolarHBondContact NE2-O 3.33Å; K265-N269 PolarHBondContact O-ND2 3.5Å; K265-N269 VanDerWaalsContact O-ND2 3.14Å; Q266-N269 PolarHBondContact O-N 3.07Å; Q266-N269 PolarHBondContact O-ND2 3.12Å
270	K	96.8	Very high	94.3	Very high	139 Å²	139	67.6 Å²	67.6	60%	0.604	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-51.3	144.2	169.3	-173.7	172.6	-178.3	176.6	0	110.8	E248 H272	E248-K270 HydrophobicContact CG-CB 4.02Å; K270-H272 PolarHBondContact O-CD2 3.02Å; K270-H272 VanDerWaalsContact O-CD2 3.27Å; K270-H272 PolarHBondContact O-N 3.34Å
271	I	96.9	Very high	94.3	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.195	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-52.4	125.3	175.4	-60.9	173.6	0	0	0	109.1	L67 L71 I222 T225	L67-I271 HydrophobicContact CD1-CG1 4.46Å; L71-I271 HydrophobicContact CD2-CD1 4.01Å; I222-I271 HydrophobicContact CD1-CG2 3.71Å; I222-I271 HydrophobicContact CG2-CG2 4.43Å; T225-I271 HydrophobicContact CG2-CD1 3.36Å
272	H	96	Very high	94.1	Very high	64 Å²	64	67.3 Å²	67.3	30%	0.296	34%	0.343	S	S	.	.			trans	-141.2	157.6	-173.2	63.6	56.4	0	0	0	111.6	K270	K270-H272 PolarHBondContact O-CD2 3.02Å; K270-H272 VanDerWaalsContact O-CD2 3.27Å; K270-H272 PolarHBondContact O-N 3.34Å
273	R	96.1	Very high	94.2	Very high	160 Å²	160	74.3 Å²	74.3	60%	0.604	36%	0.364	S	S	*	.	S	Bend	trans	-88.8	-5.5	-176.4	-65.2	-179.3	-179.5	-176.7	-2.2	114.4	I222 S275 L276	I222-R273 HydrophobicContact CG2-CG 4.11Å; R273-S275 PolarHBondContact O-N 3.3Å; R273-L276 HydrophobicContact CB-CD1 3.9Å; R273-L276 HydrophobicContact CG-CD1 3.98Å; R273-L276 WeakPolarHBondContact O-CB 3.48Å; R273-L276 WeakPolarHBondContact O-CG 3.18Å; R273-L276 PolarHBondContact O-N 3.01Å
274	N	94.2	Very high	94.3	Very high	129 Å²	129	74.6 Å²	74.6	69%	0.69	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.1	-171.5	-60.6	-6	0	0	0	114.4
275	S	94.4	Very high	94.4	Very high	17 Å²	17	77.3 Å²	77.3	12%	0.119	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.1	-177	96	0	0	0	0	114.1	R164 Y218 R273 S278	R164-S275 PolarHBondContact NH2-O 3.24Å; R164-S275 PolarHBondContact NH2-OG 3.22Å; Y218-S275 WeakPolarHBondContact CE1-OG 3.42Å; Y218-S275 PolarHBondContact OH-OG 3.26Å; R273-S275 PolarHBondContact O-N 3.3Å; S275-S278 PolarHBondContact O-OG 3.19Å
276	L	96.4	Very high	94.6	Very high	12 Å²	12	69.1 Å²	69.1	6%	0.063	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-52.8	-176.7	-67.4	176.5	0	0	0	111.2	Y218 E219 I222 L223 R273 W279 Y315	Y218-L276 HydrophobicContact CD1-CD2 4.27Å; Y218-L276 HydrophobicContact CE1-CD2 3.91Å; E219-L276 HydrophobicContact CB-CD2 4.3Å; E219-L276 HydrophobicContact CG-CD2 4Å; I222-L276 HydrophobicContact CB-CD2 4.16Å; I222-L276 HydrophobicContact CG1-CD2 4.47Å; I222-L276 HydrophobicContact CG2-CD1 4Å; I222-L276 HydrophobicContact CG2-CD2 4.16Å; I222-L276 HydrophobicContact CG2-CG 4.17Å; L223-L276 HydrophobicContact CD2-CD1 3.79Å; L223-L276 HydrophobicContact CG-CD1 4.19Å; R273-L276 HydrophobicContact CB-CD1 3.9Å; R273-L276 HydrophobicContact CG-CD1 3.98Å; R273-L276 WeakPolarHBondContact O-CB 3.48Å; R273-L276 WeakPolarHBondContact O-CG 3.18Å; R273-L276 PolarHBondContact O-N 3.01Å; L276-W279 VanDerWaalsContact O-CD1 3.27Å; L276-W279 PolarHBondContact O-NE1 2.9Å; L276-Y315 HydrophobicContact CB-CD2 4.15Å; L276-Y315 HydrophobicContact CB-CE2 4.24Å; L276-Y315 WeakPolarHBondContact O-CE2 3.27Å
277	L	95.5	Very high	94.7	Very high	76 Å²	76	68.1 Å²	68.1	40%	0.398	34%	0.344	S	S	.	.	S	Bend	trans	-109.5	6	-173.5	-62	176.8	0	0	0	114.8	W279 A280 P313 Y315	L277-W279 PolarHBondContact O-N 2.74Å; L277-A280 PolarHBondContact O-N 2.73Å; L277-P313 HydrophobicContact CD2-CG 4.17Å; L277-P313 VanDerWaalsContact CD2-O 3.3Å; L277-P313 WeakPolarHBondContact CD2-O 3.46Å; L277-Y315 HydrophobicContact CD2-CD2 3.97Å; L277-Y315 HydrophobicContact CD2-CE2 3.53Å; L277-Y315 HydrophobicContact CG-CE2 4.39Å
278	S	94.1	Very high	94.6	Very high	55 Å²	55	72.9 Å²	72.9	39%	0.385	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.6	-179.6	63.3	0	0	0	0	114.9	S275 D281	S275-S278 PolarHBondContact O-OG 3.19Å; S278-D281 VanDerWaalsContact O-OD2 3.12Å
279	W	95.9	Very high	94.5	Very high	1 Å²	1	75.6 Å²	75.6	0%	0.004	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.6	177.4	64.7	-90.1	0	0	0	113.1	D165 R167 A168 A171 L276 L277 S284 I291 P313 Y315	D165-W279 WeakPolarHBondContact OD2-CZ2 2.91Å; R167-W279 HydrophobicContact CB-CD2 3.76Å; R167-W279 HydrophobicContact CB-CE3 3.38Å; R167-W279 HydrophobicContact CB-CH2 4.05Å; R167-W279 HydrophobicContact CB-CZ2 4.32Å; R167-W279 HydrophobicContact CB-CZ3 3.54Å; R167-W279 HydrophobicContact CG-CE3 4.31Å; R167-W279 HydrophobicContact CG-CH2 4.44Å; R167-W279 HydrophobicContact CG-CZ3 4.01Å; A168-W279 HydrophobicContact CB-CG 3.99Å; A171-W279 HydrophobicContact CB-CB 3.58Å; L276-W279 VanDerWaalsContact O-CD1 3.27Å; L276-W279 PolarHBondContact O-NE1 2.9Å; L277-W279 PolarHBondContact O-N 2.74Å; W279-S284 VanDerWaalsContact O-CB 3.23Å; W279-S284 WeakPolarHBondContact O-CB 3.42Å; W279-S284 PolarHBondContact O-OG 2.82Å; W279-I291 HydrophobicContact CE3-CG1 4.31Å; W279-I291 HydrophobicContact CE3-CG2 3.85Å; W279-I291 HydrophobicContact CH2-CG2 4.42Å; W279-I291 HydrophobicContact CZ3-CB 4.27Å; W279-I291 HydrophobicContact CZ3-CG1 4.49Å; W279-I291 HydrophobicContact CZ3-CG2 3.37Å; W279-I291 VanDerWaalsContact O-CD1 3.23Å; W279-I291 WeakPolarHBondContact O-CD1 3.37Å; W279-P313 HydrophobicContact CH2-CG 3.76Å; W279-P313 HydrophobicContact CZ2-CG 3.39Å; W279-Y315 WeakPolarHBondContact CZ2-OH 3.39Å; W279-Y315 PolarHBondContact NE1-OH 3.18Å
280	A	94.9	Very high	94.4	Very high	9 Å²	9	72 Å²	72	7%	0.074	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.8	-178	0	0	0	0	0	112.8	L277 F311 P312	L277-A280 PolarHBondContact O-N 2.73Å; A280-F311 HydrophobicContact CB-CZ 4.47Å; A280-P312 HydrophobicContact CB-CB 3.9Å
281	D	91	Very high	94.3	Very high	74 Å²	74	65.5 Å²	65.5	40%	0.396	33%	0.325	S	S	.	.	S	Bend	trans	-68.5	161.7	178.2	74.4	35.6	0	0	0	112.2	S278 K283 S284	S278-D281 VanDerWaalsContact O-OD2 3.12Å; D281-K283 PolarHBondContact O-N 3.23Å; D281-K283 VanDerWaalsContact OD1-CA 3.26Å; D281-K283 WeakPolarHBondContact OD1-CA 3.43Å; D281-K283 PolarHBondContact OD1-N 2.72Å; D281-S284 VanDerWaalsContact O-CB 3.24Å; D281-S284 WeakPolarHBondContact O-CB 3.33Å; D281-S284 PolarHBondContact O-N 2.91Å; D281-S284 WeakPolarHBondContact OD1-CA 3.45Å; D281-S284 PolarHBondContact OD1-N 3.19Å
282	N	88.5	Confident	94	Very high	155 Å²	155	67.1 Å²	67.1	83%	0.829	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-12.8	-179.9	-70	-11.3	0	0	0	113.5
283	K	91.7	Very high	93.9	Very high	198 Å²	198	68.6 Å²	68.6	86%	0.861	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	14.5	178.5	-63.1	-176.7	179.5	-179.6	0	111.5	D281	D281-K283 PolarHBondContact O-N 3.23Å; D281-K283 VanDerWaalsContact OD1-CA 3.26Å; D281-K283 WeakPolarHBondContact OD1-CA 3.43Å; D281-K283 PolarHBondContact OD1-N 2.72Å
284	S	94	Very high	93.9	Very high	25 Å²	25	61.4 Å²	61.4	18%	0.175	31%	0.311	C	S	.	.			trans	-62.8	144.8	-177	-176.1	0	0	0	0	110.3	W279 D281 L286	W279-S284 VanDerWaalsContact O-CB 3.23Å; W279-S284 WeakPolarHBondContact O-CB 3.42Å; W279-S284 PolarHBondContact O-OG 2.82Å; D281-S284 VanDerWaalsContact O-CB 3.24Å; D281-S284 WeakPolarHBondContact O-CB 3.33Å; D281-S284 PolarHBondContact O-N 2.91Å; D281-S284 WeakPolarHBondContact OD1-CA 3.45Å; D281-S284 PolarHBondContact OD1-N 3.19Å; S284-L286 PolarHBondContact O-N 3.12Å; S284-L286 PolarHBondContact OG-N 3.29Å
285	I	95.1	Very high	93.8	Very high	71 Å²	71	56.3 Å²	56.3	36%	0.364	28%	0.283	S	S	.	.	S	Bend	trans	-70.1	-13.7	173.3	-164.7	156.1	0	0	0	112.3	A171 I174	A171-I285 HydrophobicContact CB-CG2 4.17Å; I174-I285 HydrophobicContact CB-CD1 4.24Å; I174-I285 HydrophobicContact CB-CG2 4.41Å; I174-I285 HydrophobicContact CG2-CD1 3.4Å; I174-I285 HydrophobicContact CG2-CG1 3.97Å
286	L	96	Very high	93.7	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	31%	0.305	C	S	.	.	S	Bend	trans	-92.4	140.5	178.8	-62.4	175.9	0	0	0	110.7	R167 I170 A171 I174 P187 S284 F290 I291	R167-L286 WeakPolarHBondContact O-CD1 3.46Å; I170-L286 HydrophobicContact CB-CD2 4.45Å; I170-L286 HydrophobicContact CG2-CD2 3.82Å; A171-L286 HydrophobicContact CB-CD1 3.74Å; A171-L286 HydrophobicContact CB-CG 4.01Å; I174-L286 HydrophobicContact CD1-CD2 3.87Å; P187-L286 HydrophobicContact CB-CD2 3.92Å; S284-L286 PolarHBondContact O-N 3.12Å; S284-L286 PolarHBondContact OG-N 3.29Å; L286-F290 HydrophobicContact CB-CD1 4.18Å; L286-F290 HydrophobicContact CD1-CD1 4.07Å; L286-F290 HydrophobicContact CD1-CE1 3.83Å; L286-F290 HydrophobicContact CD2-CD1 4.36Å; L286-F290 HydrophobicContact CD2-CE1 4.28Å; L286-F290 HydrophobicContact CG-CD1 4.46Å; L286-I291 HydrophobicContact CB-CD1 3.85Å; L286-I291 HydrophobicContact CB-CG1 3.69Å; L286-I291 HydrophobicContact CD1-CG1 4.29Å; L286-I291 WeakPolarHBondContact O-CD1 3.42Å
287	P	94.7	Very high	93.5	Very high	61 Å²	61	66.1 Å²	66.1	40%	0.396	33%	0.33	S	S	.	.			trans	-58.4	140.2	173.6	-24.5	34.6	0	0	0	112.2	P187 Q289 F290 I291	P187-P287 HydrophobicContact CG-CG 4.03Å; P287-Q289 VanDerWaalsContact C-N 3.31Å; P287-Q289 PolarHBondContact O-N 3.14Å; P287-F290 HydrophobicContact CB-CB 4.37Å; P287-F290 WeakPolarHBondContact O-CB 3.49Å; P287-F290 PolarHBondContact O-N 2.91Å; P287-I291 WeakPolarHBondContact O-CG1 3.41Å; P287-I291 PolarHBondContact O-N 3.37Å; P287-I291 VanDerWaalsContact O-N 3.17Å
288	R	92.9	Very high	93.5	Very high	106 Å²	106	62.6 Å²	62.6	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-55	-45.2	-178.3	-175.3	62.3	-179.3	-158.8	-2.8	113.1	F290 I291 E292 F311	R288-F290 VanDerWaalsContact C-N 3.29Å; R288-F290 PolarHBondContact O-N 3.04Å; R288-I291 WeakPolarHBondContact O-CB 3.23Å; R288-I291 PolarHBondContact O-N 3.08Å; R288-E292 HydrophobicContact CG-CG 4.44Å; R288-E292 IonicContact CZ-OE1 2.86Å; R288-E292 VanDerWaalsContact NE-CD 3.26Å; R288-E292 IonicContact NE-OE1 3.56Å; R288-E292 PolarHBondContact NE-OE1 3.12Å; R288-E292 IonicContact NH2-OE1 3.15Å; R288-E292 PolarHBondContact NH2-OE1 3.15Å; R288-E292 WeakPolarHBondContact O-CG 3.15Å; R288-E292 PolarHBondContact O-N 3.14Å; R288-F311 VanDerWaalsContact NH1-CE1 3.3Å
289	Q	93.2	Very high	93.5	Very high	115 Å²	115	68.5 Å²	68.5	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-38.5	178	-179	176.2	-2.6	0	0	112.7	P287 K293	P287-Q289 VanDerWaalsContact C-N 3.31Å; P287-Q289 PolarHBondContact O-N 3.14Å; Q289-K293 HydrophobicContact CG-CD 3.92Å; Q289-K293 WeakPolarHBondContact O-CB 3.42Å; Q289-K293 WeakPolarHBondContact O-CG 3.22Å; Q289-K293 PolarHBondContact O-N 2.91Å; Q289-K293 VanDerWaalsContact O-N 3.12Å
290	F	95	Very high	93.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-50.9	177.4	169.4	-91.7	0	0	0	110.4	R167 P187 Y188 F191 L286 P287 R288 E292 K293 I294	R167-F290 HydrophobicContact CG-CE1 4.25Å; P187-F290 HydrophobicContact CB-CD1 4.13Å; P187-F290 HydrophobicContact CB-CD2 3.87Å; P187-F290 HydrophobicContact CB-CE1 4.32Å; P187-F290 HydrophobicContact CB-CE2 4.06Å; P187-F290 HydrophobicContact CB-CG 3.91Å; P187-F290 HydrophobicContact CB-CZ 4.27Å; P187-F290 HydrophobicContact CG-CB 4.31Å; P187-F290 HydrophobicContact CG-CD2 4.09Å; P187-F290 HydrophobicContact CG-CG 4.13Å; P187-F290 WeakPolarHBondContact O-CE2 3.24Å; Y188-F290 HydrophobicContact CD1-CD2 4Å; Y188-F290 HydrophobicContact CD1-CE2 4.3Å; Y188-F290 AromaticContact CD2-CD2 3.85Å; Y188-F290 HydrophobicContact CD2-CD2 3.85Å; Y188-F290 AromaticContact CE1-CD2 3.99Å; Y188-F290 HydrophobicContact CE1-CD2 3.99Å; Y188-F290 HydrophobicContact CE2-CB 4.06Å; Y188-F290 AromaticContact CE2-CD2 3.81Å; Y188-F290 HydrophobicContact CE2-CD2 3.81Å; Y188-F290 HydrophobicContact CE2-CG 4.44Å; Y188-F290 AromaticContact CG-CD2 3.93Å; Y188-F290 HydrophobicContact CG-CD2 3.93Å; Y188-F290 HydrophobicContact CG-CE2 4.3Å; Y188-F290 AromaticContact CZ-CD2 3.89Å; F191-F290 HydrophobicContact CB-CE2 3.75Å; F191-F290 HydrophobicContact CB-CZ 3.71Å; F191-F290 HydrophobicContact CD2-CE2 4.36Å; F191-F290 AromaticContact CD2-CZ 3.74Å; F191-F290 HydrophobicContact CD2-CZ 3.74Å; F191-F290 HydrophobicContact CG-CE2 4.14Å; F191-F290 AromaticContact CG-CZ 3.94Å; F191-F290 HydrophobicContact CG-CZ 3.94Å; L286-F290 HydrophobicContact CB-CD1 4.18Å; L286-F290 HydrophobicContact CD1-CD1 4.07Å; L286-F290 HydrophobicContact CD1-CE1 3.83Å; L286-F290 HydrophobicContact CD2-CD1 4.36Å; L286-F290 HydrophobicContact CD2-CE1 4.28Å; L286-F290 HydrophobicContact CG-CD1 4.46Å; P287-F290 HydrophobicContact CB-CB 4.37Å; P287-F290 WeakPolarHBondContact O-CB 3.49Å; P287-F290 PolarHBondContact O-N 2.91Å; R288-F290 VanDerWaalsContact C-N 3.29Å; R288-F290 PolarHBondContact O-N 3.04Å; F290-E292 VanDerWaalsContact C-N 3.3Å; F290-E292 PolarHBondContact O-N 3.2Å; F290-K293 PolarHBondContact O-N 3.25Å; F290-I294 HydrophobicContact CD2-CB 4.18Å; F290-I294 HydrophobicContact CD2-CG1 4.34Å; F290-I294 HydrophobicContact CE1-CG2 4.15Å; F290-I294 HydrophobicContact CE2-CB 3.96Å; F290-I294 HydrophobicContact CE2-CD1 4.07Å; F290-I294 HydrophobicContact CE2-CG1 3.72Å; F290-I294 HydrophobicContact CE2-CG2 4.21Å; F290-I294 HydrophobicContact CZ-CB 4.26Å; F290-I294 HydrophobicContact CZ-CG1 4.08Å; F290-I294 HydrophobicContact CZ-CG2 3.99Å; F290-I294 VanDerWaalsContact O-CB 3.31Å; F290-I294 WeakPolarHBondContact O-CB 3.23Å; F290-I294 WeakPolarHBondContact O-CG2 3.48Å; F290-I294 PolarHBondContact O-N 3.21Å
291	I	93.4	Very high	93.6	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-54.9	-45.7	179.6	-67.3	170.3	0	0	0	111	W279 L286 P287 R288 F311	W279-I291 HydrophobicContact CE3-CG1 4.31Å; W279-I291 HydrophobicContact CE3-CG2 3.85Å; W279-I291 HydrophobicContact CH2-CG2 4.42Å; W279-I291 HydrophobicContact CZ3-CB 4.27Å; W279-I291 HydrophobicContact CZ3-CG1 4.49Å; W279-I291 HydrophobicContact CZ3-CG2 3.37Å; W279-I291 VanDerWaalsContact O-CD1 3.23Å; W279-I291 WeakPolarHBondContact O-CD1 3.37Å; L286-I291 HydrophobicContact CB-CD1 3.85Å; L286-I291 HydrophobicContact CB-CG1 3.69Å; L286-I291 HydrophobicContact CD1-CG1 4.29Å; L286-I291 WeakPolarHBondContact O-CD1 3.42Å; P287-I291 WeakPolarHBondContact O-CG1 3.41Å; P287-I291 PolarHBondContact O-N 3.37Å; P287-I291 VanDerWaalsContact O-N 3.17Å; R288-I291 WeakPolarHBondContact O-CB 3.23Å; R288-I291 PolarHBondContact O-N 3.08Å; I291-F311 HydrophobicContact CG2-CE2 3.35Å; I291-F311 HydrophobicContact CG2-CZ 3.52Å
292	E	91.5	Very high	93.7	Very high	73 Å²	73	68.4 Å²	68.4	34%	0.341	33%	0.326	S	S	.	.	H	α-helix	trans	-77	-24.9	-175.5	-72.5	178.8	159.2	0	0	114.4	R288 F290 H295 F311	R288-E292 HydrophobicContact CG-CG 4.44Å; R288-E292 IonicContact CZ-OE1 2.86Å; R288-E292 VanDerWaalsContact NE-CD 3.26Å; R288-E292 IonicContact NE-OE1 3.56Å; R288-E292 PolarHBondContact NE-OE1 3.12Å; R288-E292 IonicContact NH2-OE1 3.15Å; R288-E292 PolarHBondContact NH2-OE1 3.15Å; R288-E292 WeakPolarHBondContact O-CG 3.15Å; R288-E292 PolarHBondContact O-N 3.14Å; F290-E292 VanDerWaalsContact C-N 3.3Å; F290-E292 PolarHBondContact O-N 3.2Å; E292-H295 PolarHBondContact O-CE1 3.44Å; E292-H295 PolarHBondContact O-ND1 2.78Å; E292-F311 HydrophobicContact CG-CD1 4.32Å; E292-F311 HydrophobicContact CG-CD2 4.28Å; E292-F311 HydrophobicContact CG-CE1 4.2Å; E292-F311 HydrophobicContact CG-CE2 4.14Å; E292-F311 HydrophobicContact CG-CG 4.4Å; E292-F311 HydrophobicContact CG-CZ 4.08Å
293	K	93.6	Very high	93.9	Very high	95 Å²	95	62.8 Å²	62.8	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-111.6	-33.2	-171.8	-64.6	-174.5	-179.9	-179	0	114.9	Q289 F290 H295 L296	Q289-K293 HydrophobicContact CG-CD 3.92Å; Q289-K293 WeakPolarHBondContact O-CB 3.42Å; Q289-K293 WeakPolarHBondContact O-CG 3.22Å; Q289-K293 PolarHBondContact O-N 2.91Å; Q289-K293 VanDerWaalsContact O-N 3.12Å; F290-K293 PolarHBondContact O-N 3.25Å; K293-H295 PolarHBondContact O-N 3.2Å; K293-L296 WeakPolarHBondContact O-CB 3.46Å; K293-L296 PolarHBondContact O-N 3.17Å
294	I	95.5	Very high	94.1	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.046	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-28.6	-168.3	-166	62.5	0	0	0	113.7	R167 Y188 F191 F290 L296 E297 S298	R167-I294 HydrophobicContact CG-CG2 3.61Å; Y188-I294 HydrophobicContact CD1-CD1 3.82Å; Y188-I294 HydrophobicContact CE1-CD1 3.87Å; F191-I294 HydrophobicContact CB-CG1 4.5Å; F191-I294 HydrophobicContact CD1-CD1 3.67Å; F191-I294 HydrophobicContact CD1-CG1 3.49Å; F191-I294 VanDerWaalsContact CD1-CG1 3.49Å; F191-I294 HydrophobicContact CD2-CG1 3.84Å; F191-I294 HydrophobicContact CE1-CD1 3.93Å; F191-I294 HydrophobicContact CE1-CG1 3.51Å; F191-I294 HydrophobicContact CE2-CG1 3.84Å; F191-I294 HydrophobicContact CE2-CG2 4.24Å; F191-I294 HydrophobicContact CG-CD1 4.14Å; F191-I294 HydrophobicContact CG-CG1 3.65Å; F191-I294 HydrophobicContact CZ-CG1 3.67Å; F290-I294 HydrophobicContact CD2-CB 4.18Å; F290-I294 HydrophobicContact CD2-CG1 4.34Å; F290-I294 HydrophobicContact CE1-CG2 4.15Å; F290-I294 HydrophobicContact CE2-CB 3.96Å; F290-I294 HydrophobicContact CE2-CD1 4.07Å; F290-I294 HydrophobicContact CE2-CG1 3.72Å; F290-I294 HydrophobicContact CE2-CG2 4.21Å; F290-I294 HydrophobicContact CZ-CB 4.26Å; F290-I294 HydrophobicContact CZ-CG1 4.08Å; F290-I294 HydrophobicContact CZ-CG2 3.99Å; F290-I294 VanDerWaalsContact O-CB 3.31Å; F290-I294 WeakPolarHBondContact O-CB 3.23Å; F290-I294 WeakPolarHBondContact O-CG2 3.48Å; F290-I294 PolarHBondContact O-N 3.21Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.03Å; I294-E297 PolarHBondContact O-N 3.28Å; I294-S298 WeakPolarHBondContact O-CB 3.38Å; I294-S298 PolarHBondContact O-N 3.21Å
295	H	93.3	Very high	94.1	Very high	21 Å²	21	53 Å²	53	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-70.6	-21.5	178.5	72	-85.1	0	0	0	114.2	R167 E292 K293 L301 H302 A307	R167-H295 PolarHBondContact NH1-ND1 3.06Å; E292-H295 PolarHBondContact O-CE1 3.44Å; E292-H295 PolarHBondContact O-ND1 2.78Å; K293-H295 PolarHBondContact O-N 3.2Å; H295-L301 HydrophobicContact CB-CD1 3.86Å; H295-H302 PolarHBondContact O-CD2 2.73Å; H295-A307 PolarHBondContact CD2-O 3.21Å; H295-A307 WeakPolarHBondContact O-CB 3.44Å
296	L	91.6	Very high	94.1	Very high	111 Å²	111	49.7 Å²	49.7	58%	0.581	24%	0.235	S	C	*	.	H	α-helix	trans	-78.5	-25.7	175.5	-56.4	174.3	0	0	0	111.7	K293 I294	K293-L296 WeakPolarHBondContact O-CB 3.46Å; K293-L296 PolarHBondContact O-N 3.17Å; I294-L296 VanDerWaalsContact C-N 3.28Å; I294-L296 PolarHBondContact O-N 3.03Å
297	E	93	Very high	93.9	Very high	125 Å²	125	49.8 Å²	49.8	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-95.5	-25.8	-177.4	-63.5	170.2	-154.3	0	0	112.1	I294 K299	I294-E297 PolarHBondContact O-N 3.28Å; E297-K299 PolarHBondContact O-N 2.78Å
298	S	95.6	Very high	93.5	Very high	2 Å²	2	55 Å²	55	1%	0.014	26%	0.256	C	S	.	.			trans	-81.8	107.5	-175	174.9	0	0	0	0	113.1	E195 I294 L300 L301 H302	E195-S298 WeakPolarHBondContact OE1-CA 3.44Å; E195-S298 WeakPolarHBondContact OE1-CB 3.33Å; E195-S298 PolarHBondContact OE1-OG 2.65Å; I294-S298 WeakPolarHBondContact O-CB 3.38Å; I294-S298 PolarHBondContact O-N 3.21Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 PolarHBondContact OG-N 3.19Å; S298-L301 PolarHBondContact O-N 3.04Å; S298-L301 WeakPolarHBondContact OG-CG 3.42Å; S298-L301 PolarHBondContact OG-N 2.7Å; S298-H302 PolarHBondContact O-CD2 3.29Å; S298-H302 PolarHBondContact O-N 3.34Å; S298-H302 VanDerWaalsContact O-N 3.12Å
299	K	93.7	Very high	93.4	Very high	178 Å²	178	50.3 Å²	50.3	77%	0.774	24%	0.239	S	C	*	.	H	α-helix	trans	-57.9	-35.2	170.7	-67.1	-176.4	179.6	-179.2	0	111.8	E297 H302 R303	E297-K299 PolarHBondContact O-N 2.78Å; K299-H302 PolarHBondContact O-N 3.05Å; K299-R303 WeakPolarHBondContact O-CB 3.49Å; K299-R303 PolarHBondContact O-N 3.34Å
300	L	95.9	Very high	93.2	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-42.9	179.9	-176.2	62.6	0	0	0	112.2	W194 E195 T198 K199 L202 S298 H302 R303 L304	W194-L300 HydrophobicContact CH2-CD2 3.81Å; W194-L300 HydrophobicContact CH2-CG 4.28Å; W194-L300 HydrophobicContact CZ2-CD2 4.33Å; W194-L300 HydrophobicContact CZ3-CD2 4.01Å; E195-L300 HydrophobicContact CB-CD2 4.49Å; E195-L300 HydrophobicContact CG-CB 3.79Å; E195-L300 HydrophobicContact CG-CD2 4.01Å; E195-L300 WeakPolarHBondContact OE1-CB 3.38Å; E195-L300 PolarHBondContact OE1-N 2.93Å; T198-L300 HydrophobicContact CG2-CD2 3.91Å; K199-L300 HydrophobicContact CB-CD1 4.28Å; K199-L300 HydrophobicContact CB-CD2 4.21Å; L202-L300 HydrophobicContact CD2-CD1 3.77Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 PolarHBondContact OG-N 3.19Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 3.02Å; L300-R303 PolarHBondContact O-N 3.39Å; L300-L304 HydrophobicContact CD1-CD1 4.05Å; L300-L304 HydrophobicContact CD1-CG 4.1Å; L300-L304 HydrophobicContact CD2-CD1 4.45Å; L300-L304 HydrophobicContact CG-CD1 3.88Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CB 3.44Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 3.2Å
301	L	95.7	Very high	92.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-37.6	175.3	-71.8	-179.9	0	0	0	111.5	F191 W194 H295 S298 L304 G305 Y306	F191-L301 HydrophobicContact CE2-CD1 3.76Å; F191-L301 HydrophobicContact CE2-CG 4.34Å; F191-L301 HydrophobicContact CZ-CD1 3.54Å; F191-L301 HydrophobicContact CZ-CG 3.91Å; W194-L301 HydrophobicContact CH2-CD2 3.6Å; W194-L301 HydrophobicContact CH2-CG 4.18Å; W194-L301 HydrophobicContact CZ3-CD2 4.11Å; W194-L301 HydrophobicContact CZ3-CG 4.25Å; H295-L301 HydrophobicContact CB-CD1 3.86Å; S298-L301 PolarHBondContact O-N 3.04Å; S298-L301 WeakPolarHBondContact OG-CG 3.42Å; S298-L301 PolarHBondContact OG-N 2.7Å; L301-L304 PolarHBondContact O-N 2.95Å; L301-G305 PolarHBondContact O-N 3Å; L301-G305 VanDerWaalsContact O-N 3.12Å; L301-Y306 HydrophobicContact CD2-CD2 3.56Å; L301-Y306 HydrophobicContact CD2-CE2 4.45Å; L301-Y306 HydrophobicContact CD2-CG 4.11Å; L301-Y306 PolarHBondContact O-N 3Å
302	H	93.7	Very high	92.5	Very high	77 Å²	77	55.2 Å²	55.2	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-50.8	170	-88.5	-86.1	0	0	0	111.7	H295 S298 K299 L300 L304 G305 A307	H295-H302 PolarHBondContact O-CD2 2.73Å; S298-H302 PolarHBondContact O-CD2 3.29Å; S298-H302 PolarHBondContact O-N 3.34Å; S298-H302 VanDerWaalsContact O-N 3.12Å; K299-H302 PolarHBondContact O-N 3.05Å; L300-H302 VanDerWaalsContact C-N 3.29Å; L300-H302 PolarHBondContact O-N 3.02Å; H302-L304 VanDerWaalsContact C-N 3.31Å; H302-L304 PolarHBondContact O-N 2.66Å; H302-G305 PolarHBondContact O-N 2.75Å; H302-A307 HydrophobicContact CB-CB 4.23Å; H302-A307 VanDerWaalsContact CD2-CB 3.46Å; H302-A307 WeakPolarHBondContact CD2-CB 3.15Å; H302-A307 VanDerWaalsContact CE1-CB 3.42Å; H302-A307 WeakPolarHBondContact CE1-CB 3.48Å; H302-A307 VanDerWaalsContact CG-CB 3.45Å; H302-A307 WeakPolarHBondContact ND1-CB 3.4Å; H302-A307 WeakPolarHBondContact NE2-CB 3.32Å
303	R	93.7	Very high	92.5	Very high	36 Å²	36	51.9 Å²	51.9	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-36.9	-179.8	-169.5	178	-174.8	-175.1	8.5	113.1	K299 L300 G305 I325	K299-R303 WeakPolarHBondContact O-CB 3.49Å; K299-R303 PolarHBondContact O-N 3.34Å; L300-R303 PolarHBondContact O-N 3.39Å; R303-G305 VanDerWaalsContact C-N 3.27Å; R303-G305 PolarHBondContact O-N 2.68Å; R303-I325 PolarHBondContact NE-O 3.18Å; R303-I325 PolarHBondContact NH2-O 2.93Å
304	L	95.6	Very high	92.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-80.4	-6.2	177.4	-65.1	175.8	0	0	0	113.3	V163 L202 R217 L300 L301 H302 Y306 L321	V163-L304 HydrophobicContact CB-CD1 4.43Å; V163-L304 HydrophobicContact CG2-CD2 4.23Å; L202-L304 HydrophobicContact CD2-CD2 4.03Å; R217-L304 PolarHBondContact NH1-O 3.01Å; L300-L304 HydrophobicContact CD1-CD1 4.05Å; L300-L304 HydrophobicContact CD1-CG 4.1Å; L300-L304 HydrophobicContact CD2-CD1 4.45Å; L300-L304 HydrophobicContact CG-CD1 3.88Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CB 3.44Å; L300-L304 WeakPolarHBondContact O-CG 3.18Å; L300-L304 PolarHBondContact O-N 3.2Å; L301-L304 PolarHBondContact O-N 2.95Å; H302-L304 VanDerWaalsContact C-N 3.31Å; H302-L304 PolarHBondContact O-N 2.66Å; L304-Y306 HydrophobicContact CB-CD2 3.49Å; L304-Y306 VanDerWaalsContact CB-CD2 3.49Å; L304-Y306 HydrophobicContact CB-CE2 3.44Å; L304-Y306 VanDerWaalsContact CB-CE2 3.44Å; L304-Y306 HydrophobicContact CD1-CD2 4.31Å; L304-Y306 HydrophobicContact CD1-CE2 3.87Å; L304-Y306 HydrophobicContact CG-CE2 4.27Å; L304-L321 HydrophobicContact CD2-CD1 4.14Å
305	G	94.5	Very high	92.7	Very high	18 Å²	18	50.8 Å²	50.8	19%	0.186	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	11.6	176.6	0	0	0	0	0	115.4	L301 H302 R303 L318	L301-G305 PolarHBondContact O-N 3Å; L301-G305 VanDerWaalsContact O-N 3.12Å; H302-G305 PolarHBondContact O-N 2.75Å; R303-G305 VanDerWaalsContact C-N 3.27Å; R303-G305 PolarHBondContact O-N 2.68Å; G305-L318 WeakPolarHBondContact O-CD2 3.4Å
306	Y	95	Very high	92.7	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.282	C	S	.	.			trans	-86.7	-14	-176	-61.4	-60.8	0	0	0	114.8	D165 R217 E219 L301 L304 L309 Y315 L318	D165-Y306 HydrophobicContact CB-CD1 4.19Å; D165-Y306 HydrophobicContact CB-CE1 4.2Å; D165-Y306 HydrophobicContact CB-CG 4.41Å; R217-Y306 VanDerWaalsContact CD-OH 3.29Å; R217-Y306 WeakPolarHBondContact CD-OH 3.37Å; R217-Y306 VanDerWaalsContact CG-OH 3.24Å; R217-Y306 WeakPolarHBondContact CG-OH 3.24Å; E219-Y306 HydrophobicContact CG-CE1 4.34Å; E219-Y306 PolarHBondContact OE2-OH 2.85Å; L301-Y306 HydrophobicContact CD2-CD2 3.56Å; L301-Y306 HydrophobicContact CD2-CE2 4.45Å; L301-Y306 HydrophobicContact CD2-CG 4.11Å; L301-Y306 PolarHBondContact O-N 3Å; L304-Y306 HydrophobicContact CB-CD2 3.49Å; L304-Y306 VanDerWaalsContact CB-CD2 3.49Å; L304-Y306 HydrophobicContact CB-CE2 3.44Å; L304-Y306 VanDerWaalsContact CB-CE2 3.44Å; L304-Y306 HydrophobicContact CD1-CD2 4.31Å; L304-Y306 HydrophobicContact CD1-CE2 3.87Å; L304-Y306 HydrophobicContact CG-CE2 4.27Å; Y306-L309 HydrophobicContact CD1-CD1 4.34Å; Y306-Y315 HydrophobicContact CD1-CD1 4.29Å; Y306-Y315 AromaticContact CD1-CE1 3.92Å; Y306-Y315 HydrophobicContact CD1-CE1 3.92Å; Y306-Y315 HydrophobicContact CE1-CD1 4.42Å; Y306-Y315 HydrophobicContact CE1-CE1 4.2Å; Y306-L318 HydrophobicContact CD1-CD2 3.94Å; Y306-L318 HydrophobicContact CE1-CD1 4.15Å; Y306-L318 HydrophobicContact CE1-CD2 4.1Å
307	A	91	Very high	92.9	Very high	9 Å²	9	53.5 Å²	53.5	7%	0.074	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.6	-171.8	0	0	0	0	0	114.6	H295 H302	H295-A307 PolarHBondContact CD2-O 3.21Å; H295-A307 WeakPolarHBondContact O-CB 3.44Å; H302-A307 HydrophobicContact CB-CB 4.23Å; H302-A307 VanDerWaalsContact CD2-CB 3.46Å; H302-A307 WeakPolarHBondContact CD2-CB 3.15Å; H302-A307 VanDerWaalsContact CE1-CB 3.42Å; H302-A307 WeakPolarHBondContact CE1-CB 3.48Å; H302-A307 VanDerWaalsContact CG-CB 3.45Å; H302-A307 WeakPolarHBondContact ND1-CB 3.4Å; H302-A307 WeakPolarHBondContact NE2-CB 3.32Å
308	Q	86.7	Confident	92.9	Very high	170 Å²	170	48.6 Å²	48.6	79%	0.794	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	45.8	-171.7	-64.9	179.2	-5.7	0	0	112.5
309	L	91.2	Very high	92.7	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.042	29%	0.29	C	S	.	.	S	Bend	trans	-113.6	14.2	-172.7	-61.8	179.4	0	0	0	114.8	Y306 P313 N314 Y315 L317 L318	Y306-L309 HydrophobicContact CD1-CD1 4.34Å; L309-P313 HydrophobicContact CB-CB 3.61Å; L309-P313 HydrophobicContact CD1-CB 4.08Å; L309-P313 CarbonylContact O-C 3.46Å; L309-P313 WeakPolarHBondContact O-CA 3.48Å; L309-N314 PolarHBondContact O-N 2.8Å; L309-Y315 HydrophobicContact CD1-CD1 3.78Å; L309-Y315 HydrophobicContact CD1-CE1 4.2Å; L309-L317 HydrophobicContact CD2-CB 3.99Å; L309-L318 HydrophobicContact CD1-CD2 3.63Å; L309-L318 HydrophobicContact CD1-CG 4.07Å; L309-L318 HydrophobicContact CD2-CD2 4.25Å; L309-L318 HydrophobicContact CG-CD2 4.46Å
310	S	87.1	Confident	92.4	Very high	90 Å²	90	52.3 Å²	52.3	63%	0.629	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-179.4	-167.9	78.2	0	0	0	0	113.9	P312 P313	S310-P312 CarbonylContact C-O 3.55Å; S310-P312 CarbonylContact O-C 3.57Å; S310-P312 PolarHBondContact OG-O 3.27Å; S310-P313 VanDerWaalsContact O-CA 3.32Å; S310-P313 WeakPolarHBondContact O-CA 3.32Å
311	F	85.4	Confident	92	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.281	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	118.9	-179.9	-171.1	-85.8	0	0	0	111.5	A280 R288 I291 E292	A280-F311 HydrophobicContact CB-CZ 4.47Å; R288-F311 VanDerWaalsContact NH1-CE1 3.3Å; I291-F311 HydrophobicContact CG2-CE2 3.35Å; I291-F311 HydrophobicContact CG2-CZ 3.52Å; E292-F311 HydrophobicContact CG-CD1 4.32Å; E292-F311 HydrophobicContact CG-CD2 4.28Å; E292-F311 HydrophobicContact CG-CE1 4.2Å; E292-F311 HydrophobicContact CG-CE2 4.14Å; E292-F311 HydrophobicContact CG-CG 4.4Å; E292-F311 HydrophobicContact CG-CZ 4.08Å
312	P	88.8	Confident	90.9	Very high	67 Å²	67	59 Å²	59	44%	0.435	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	cis	-62.7	158.1	-6.9	30.8	-36.9	0	0	0	111.5	A280 S310 N314	A280-P312 HydrophobicContact CB-CB 3.9Å; S310-P312 CarbonylContact C-O 3.55Å; S310-P312 CarbonylContact O-C 3.57Å; S310-P312 PolarHBondContact OG-O 3.27Å; P312-N314 PolarHBondContact O-N 2.93Å
313	P	92.7	Very high	89.4	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.013	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	134	-174.7	23.3	-28.9	0	0	0	112.3	L277 W279 L309 S310 Y315	L277-P313 HydrophobicContact CD2-CG 4.17Å; L277-P313 VanDerWaalsContact CD2-O 3.3Å; L277-P313 WeakPolarHBondContact CD2-O 3.46Å; W279-P313 HydrophobicContact CH2-CG 3.76Å; W279-P313 HydrophobicContact CZ2-CG 3.39Å; L309-P313 HydrophobicContact CB-CB 3.61Å; L309-P313 HydrophobicContact CD1-CB 4.08Å; L309-P313 CarbonylContact O-C 3.46Å; L309-P313 WeakPolarHBondContact O-CA 3.48Å; S310-P313 VanDerWaalsContact O-CA 3.32Å; S310-P313 WeakPolarHBondContact O-CA 3.32Å; P313-Y315 HydrophobicContact CB-CD1 4.44Å; P313-Y315 HydrophobicContact CB-CE1 4.07Å; P313-Y315 HydrophobicContact CG-CE1 3.98Å; P313-Y315 HydrophobicContact CG-CE2 4.34Å; P313-Y315 PolarHBondContact O-N 3.17Å
314	N	95.4	Very high	87.9	Confident	72 Å²	72	57.4 Å²	57.4	39%	0.385	32%	0.322	S	S	.	.			trans	-88.8	95.1	168.3	-174.7	2.6	0	0	0	110.3	L309 P312 S316 L317	L309-N314 PolarHBondContact O-N 2.8Å; P312-N314 PolarHBondContact O-N 2.93Å; N314-S316 PolarHBondContact ND2-OG 2.85Å; N314-S316 PolarHBondContact O-N 2.93Å; N314-S316 PolarHBondContact OD1-N 3.19Å; N314-S316 VanDerWaalsContact OD1-N 3.14Å; N314-S316 PolarHBondContact OD1-OG 3.2Å; N314-L317 HydrophobicContact CB-CD1 4.05Å; N314-L317 HydrophobicContact CB-CG 4.21Å; N314-L317 WeakPolarHBondContact O-CB 3.32Å; N314-L317 PolarHBondContact O-N 3.21Å; N314-L317 VanDerWaalsContact O-N 3.11Å
315	Y	96.2	Very high	86.7	Confident	9 Å²	9	58 Å²	58	4%	0.035	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-64.6	-16.2	-179.7	-62.4	-56.6	0	0	0	114.5	D165 E219 L276 L277 W279 Y306 L309 P313 L317 L318	D165-Y315 HydrophobicContact CB-CE1 4.29Å; D165-Y315 WeakPolarHBondContact CB-OH 3.42Å; D165-Y315 PolarHBondContact OD2-OH 3.3Å; E219-Y315 HydrophobicContact CB-CD1 4.32Å; E219-Y315 HydrophobicContact CB-CG 4.15Å; E219-Y315 HydrophobicContact CG-CD1 3.74Å; E219-Y315 HydrophobicContact CG-CD2 3.92Å; E219-Y315 HydrophobicContact CG-CE1 3.92Å; E219-Y315 HydrophobicContact CG-CE2 4.07Å; E219-Y315 HydrophobicContact CG-CG 3.73Å; L276-Y315 HydrophobicContact CB-CD2 4.15Å; L276-Y315 HydrophobicContact CB-CE2 4.24Å; L276-Y315 WeakPolarHBondContact O-CE2 3.27Å; L277-Y315 HydrophobicContact CD2-CD2 3.97Å; L277-Y315 HydrophobicContact CD2-CE2 3.53Å; L277-Y315 HydrophobicContact CG-CE2 4.39Å; W279-Y315 WeakPolarHBondContact CZ2-OH 3.39Å; W279-Y315 PolarHBondContact NE1-OH 3.18Å; Y306-Y315 HydrophobicContact CD1-CD1 4.29Å; Y306-Y315 AromaticContact CD1-CE1 3.92Å; Y306-Y315 HydrophobicContact CD1-CE1 3.92Å; Y306-Y315 HydrophobicContact CE1-CD1 4.42Å; Y306-Y315 HydrophobicContact CE1-CE1 4.2Å; L309-Y315 HydrophobicContact CD1-CD1 3.78Å; L309-Y315 HydrophobicContact CD1-CE1 4.2Å; P313-Y315 HydrophobicContact CB-CD1 4.44Å; P313-Y315 HydrophobicContact CB-CE1 4.07Å; P313-Y315 HydrophobicContact CG-CE1 3.98Å; P313-Y315 HydrophobicContact CG-CE2 4.34Å; P313-Y315 PolarHBondContact O-N 3.17Å; Y315-L317 PolarHBondContact O-N 2.67Å; Y315-L318 HydrophobicContact CD1-CD1 4.07Å; Y315-L318 HydrophobicContact CD1-CG 4.49Å; Y315-L318 WeakPolarHBondContact O-CB 3.46Å; Y315-L318 WeakPolarHBondContact O-CD1 3.34Å; Y315-L318 VanDerWaalsContact O-CG 3.26Å; Y315-L318 WeakPolarHBondContact O-CG 3.26Å; Y315-L318 PolarHBondContact O-N 3.27Å
316	S	94.4	Very high	85.1	Confident	82 Å²	82	63.3 Å²	63.3	57%	0.573	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-69.3	-11.5	173.9	79.4	0	0	0	0	113.2	N314	N314-S316 PolarHBondContact ND2-OG 2.85Å; N314-S316 PolarHBondContact O-N 2.93Å; N314-S316 PolarHBondContact OD1-N 3.19Å; N314-S316 VanDerWaalsContact OD1-N 3.14Å; N314-S316 PolarHBondContact OD1-OG 3.2Å
317	L	94.9	Very high	83.2	Confident	108 Å²	108	71.5 Å²	71.5	57%	0.565	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-92.2	2	176.3	-57.5	178.3	0	0	0	112.9	L309 N314 Y315 K319	L309-L317 HydrophobicContact CD2-CB 3.99Å; N314-L317 HydrophobicContact CB-CD1 4.05Å; N314-L317 HydrophobicContact CB-CG 4.21Å; N314-L317 WeakPolarHBondContact O-CB 3.32Å; N314-L317 PolarHBondContact O-N 3.21Å; N314-L317 VanDerWaalsContact O-N 3.11Å; Y315-L317 PolarHBondContact O-N 2.67Å; L317-K319 PolarHBondContact O-N 3.4Å
318	L	94.1	Very high	81.3	Confident	21 Å²	21	80 Å²	80	11%	0.11	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-60.5	119.8	176.1	-75.9	172.2	0	0	0	110.3	E219 G305 Y306 L309 Y315	E219-L318 HydrophobicContact CB-CD1 3.78Å; G305-L318 WeakPolarHBondContact O-CD2 3.4Å; Y306-L318 HydrophobicContact CD1-CD2 3.94Å; Y306-L318 HydrophobicContact CE1-CD1 4.15Å; Y306-L318 HydrophobicContact CE1-CD2 4.1Å; L309-L318 HydrophobicContact CD1-CD2 3.63Å; L309-L318 HydrophobicContact CD1-CG 4.07Å; L309-L318 HydrophobicContact CD2-CD2 4.25Å; L309-L318 HydrophobicContact CG-CD2 4.46Å; Y315-L318 HydrophobicContact CD1-CD1 4.07Å; Y315-L318 HydrophobicContact CD1-CG 4.49Å; Y315-L318 WeakPolarHBondContact O-CB 3.46Å; Y315-L318 WeakPolarHBondContact O-CD1 3.34Å; Y315-L318 VanDerWaalsContact O-CG 3.26Å; Y315-L318 WeakPolarHBondContact O-CG 3.26Å; Y315-L318 PolarHBondContact O-N 3.27Å
319	K	91.6	Very high	81	Confident	151 Å²	151	75.5 Å²	75.5	66%	0.657	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-71.6	154.2	171.6	-65.7	-178.5	-179.3	177	0	110.9	R217 L317 L321	R217-K319 PolarHBondContact NH1-O 2.86Å; R217-K319 PolarHBondContact NH2-O 3.19Å; L317-K319 PolarHBondContact O-N 3.4Å; K319-L321 PolarHBondContact O-N 3.35Å
320	P	87.4	Confident	80.4	Confident	107 Å²	107	79 Å²	79	70%	0.695	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-50	127.6	177.9	-28.8	35.3	0	0	0	112.8	Q322 G323	P320-Q322 PolarHBondContact O-N 2.91Å; P320-G323 PolarHBondContact O-N 3.11Å
321	L	86.5	Confident	80.1	Confident	14 Å²	14	78.4 Å²	78.4	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-63	-39.8	-169.1	-176	65.7	0	0	0	113.3	V163 T215 R217 L304 K319 G323 N324 I325	V163-L321 HydrophobicContact CG2-CD2 4.46Å; T215-L321 HydrophobicContact CG2-CD2 3.68Å; R217-L321 HydrophobicContact CG-CD1 4.21Å; R217-L321 HydrophobicContact CG-CD2 4Å; L304-L321 HydrophobicContact CD2-CD1 4.14Å; K319-L321 PolarHBondContact O-N 3.35Å; L321-G323 PolarHBondContact O-N 3.17Å; L321-N324 PolarHBondContact O-N 3.44Å; L321-I325 HydrophobicContact CD1-CD1 3.75Å; L321-I325 HydrophobicContact CD1-CG1 3.8Å; L321-I325 HydrophobicContact CD2-CD1 3.58Å; L321-I325 HydrophobicContact CG-CD1 3.34Å; L321-I325 HydrophobicContact CG-CG1 3.85Å; L321-I325 PolarHBondContact O-N 2.83Å; L321-I325 VanDerWaalsContact O-N 3.08Å
322	Q	74	Confident	79.8	Confident	132 Å²	132	79.2 Å²	79.2	62%	0.617	42%	0.418	S	S	*	.	H	α-helix	trans	-58.4	-32.9	-178	-67.4	-178	-2.1	0	0	112.6	P320 N324	P320-Q322 PolarHBondContact O-N 2.91Å; Q322-N324 VanDerWaalsContact C-N 3.3Å; Q322-N324 PolarHBondContact O-N 3.14Å
323	G	62.1	Low	79.2	Confident	32 Å²	32	80 Å²	80	33%	0.33	42%	0.417	S	S	.	.	H	α-helix	trans	-72.4	-20.4	176.8	0	0	0	0	0	114.2	P320 L321 K327	P320-G323 PolarHBondContact O-N 3.11Å; L321-G323 PolarHBondContact O-N 3.17Å; G323-K327 WeakPolarHBondContact O-CD 3.26Å; G323-K327 VanDerWaalsContact O-CE 3.31Å; G323-K327 WeakPolarHBondContact O-CE 3.3Å; G323-K327 VanDerWaalsContact O-CG 3.25Å; G323-K327 WeakPolarHBondContact O-CG 3.49Å
324	N	61.3	Low	78.3	Confident	48 Å²	48	85.2 Å²	85.2	26%	0.257	44%	0.444	S	S	.	.	H	α-helix	trans	-97.7	-37	-176.9	-67.8	-19.2	0	0	0	112.6	L321 Q322 L326	L321-N324 PolarHBondContact O-N 3.44Å; Q322-N324 VanDerWaalsContact C-N 3.3Å; Q322-N324 PolarHBondContact O-N 3.14Å; N324-L326 PolarHBondContact O-N 3.36Å
325	I	71	Confident	77.1	Confident	12 Å²	12	86.1 Å²	86.1	6%	0.062	45%	0.449	C	S	.	.	H	α-helix	trans	-66.6	-37.6	-174.7	-69.4	173.2	0	0	0	112.3	L202 I206 T215 R303 L321	L202-I325 HydrophobicContact CD1-CD1 3.74Å; L202-I325 HydrophobicContact CD1-CG1 4.26Å; L202-I325 HydrophobicContact CD1-CG2 4.13Å; I206-I325 HydrophobicContact CD1-CG2 3.17Å; I206-I325 HydrophobicContact CG1-CG2 3.55Å; T215-I325 HydrophobicContact CG2-CD1 4.38Å; R303-I325 PolarHBondContact NE-O 3.18Å; R303-I325 PolarHBondContact NH2-O 2.93Å; L321-I325 HydrophobicContact CD1-CD1 3.75Å; L321-I325 HydrophobicContact CD1-CG1 3.8Å; L321-I325 HydrophobicContact CD2-CD1 3.58Å; L321-I325 HydrophobicContact CG-CD1 3.34Å; L321-I325 HydrophobicContact CG-CG1 3.85Å; L321-I325 PolarHBondContact O-N 2.83Å; L321-I325 VanDerWaalsContact O-N 3.08Å
326	L	59.4	Low	75.6	Confident	131 Å²	131	92.1 Å²	92.1	69%	0.686	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.7	-173.3	-64.1	175	0	0	0	114.2	I206 N324	I206-L326 HydrophobicContact CG2-CD2 4.19Å; N324-L326 PolarHBondContact O-N 3.36Å
327	K	55.1	Low	74	Confident	172 Å²	172	92.9 Å²	92.9	75%	0.748	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6.5	-168.8	-74.7	-169.5	-175.3	-177.9	0	115.6	G323	G323-K327 WeakPolarHBondContact O-CD 3.26Å; G323-K327 VanDerWaalsContact O-CE 3.31Å; G323-K327 WeakPolarHBondContact O-CE 3.3Å; G323-K327 VanDerWaalsContact O-CG 3.25Å; G323-K327 WeakPolarHBondContact O-CG 3.49Å
328	Q	51.1	Low	72.1	Confident	187 Å²	187	91.5 Å²	91.5	87%	0.874	46%	0.464	S	S	*	.			trans	-146.5	0	177.6	-65.1	-178.1	8	0	0	109.3

Retrieved 328 of 328 residues in 431.1 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).