A0A093HCG9_STRCA Loading...

Alpha-tocopherol transfer protein-like

AlphaFold DB , UniProt , Accession A0A093HCG9, Species STRCA (Struthio camelus australis), Gene n/a, Length 339 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	38.7	Very low	35.1	Very low	229 Å²	229	143.8 Å²	143.8	100%	1.128	84%	0.84	S	S	*	*				0	88.9	0	-63.8	-178.9	167.6	0	0	104.8
2	S	35.5	Very low	35	Very low	126 Å²	126	142.9 Å²	142.9	88%	0.881	84%	0.842	S	S	*	*				64.4	123.6	60.9	-39.2	0	0	0	0	109.9
3	G	32.6	Very low	34.8	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	84%	0.839	S	S	*	*			cis	147.3	124.2	-1.1	0	0	0	0	0	109.8
4	D	36.8	Very low	35.5	Very low	172 Å²	172	137.9 Å²	137.9	92%	0.92	84%	0.839	S	S	*	*			trans	55.6	166.3	175.7	-51.4	-30.5	0	0	0	116.1
5	S	36.1	Very low	35.3	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	83%	0.833	S	S	*	*			cis	-139	-172.3	-13.4	62	0	0	0	0	107.2
6	D	32.8	Very low	35.1	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	83%	0.829	S	S	*	*			cis	-152.8	-178.5	0.6	-170.3	18.5	0	0	0	108.8
7	C	37.9	Very low	35.3	Very low	112 Å²	112	135 Å²	135	76%	0.757	84%	0.836	S	S	*	*			trans	-148.7	118.2	174.2	-167.4	0	0	0	0	114.4
8	T	31.8	Very low	35.7	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	83%	0.828	S	S	*	*			trans	-145.2	118.4	160	35.4	0	0	0	0	113.1
9	R	36.4	Very low	35.6	Very low	245 Å²	245	134.6 Å²	134.6	93%	0.925	83%	0.831	S	S	*	*			trans	-95.6	135.8	154.4	-88.3	-179.9	172.2	170.9	-2.3	107.8
10	T	32	Very low	35.8	Very low	135 Å²	135	135.5 Å²	135.5	83%	0.828	83%	0.83	S	S	*	*			trans	-120.5	126.4	167	37.9	0	0	0	0	110.4
11	S	35.9	Very low	35.9	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	83%	0.832	S	S	*	*			trans	-96.4	140.6	167.7	-58.3	0	0	0	0	108.9	S13	S11-S13 PolarHBondContact O-N 3.46Å
12	P	33.3	Very low	35.9	Very low	133 Å²	133	134.7 Å²	134.7	86%	0.864	82%	0.818	S	S	*	*			trans	-74.4	112.7	169.7	-8.5	25.1	0	0	0	109.3
13	S	33.3	Very low	36.3	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73	143.6	164.1	-177.4	0	0	0	0	109.4	S11 G15	S11-S13 PolarHBondContact O-N 3.46Å; S13-G15 PolarHBondContact O-N 3.28Å
14	A	44.1	Very low	37	Very low	100 Å²	100	136.6 Å²	136.6	83%	0.826	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.1	127	168.7	0	0	0	0	0	109.9
15	G	32.6	Very low	37.8	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-102.5	138.7	174.6	0	0	0	0	0	110.8	S13	S13-G15 PolarHBondContact O-N 3.28Å
16	S	32	Very low	39.1	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.5	137.6	-174.9	46.3	0	0	0	0	113.8	S18	S16-S18 PolarHBondContact O-N 3.14Å
17	L	39.3	Very low	40.8	Very low	182 Å²	182	133.9 Å²	133.9	95%	0.953	79%	0.785	S	S	*	*			trans	-72.1	109.9	162.6	-73	162.9	0	0	0	109.9
18	S	41.5	Very low	42.8	Very low	98 Å²	98	137 Å²	137	69%	0.685	79%	0.786	S	S	*	*			trans	-161.7	52.4	164.7	68.7	0	0	0	0	113.2	S16 N20	S16-S18 PolarHBondContact O-N 3.14Å; S18-N20 PolarHBondContact O-N 3.2Å
19	D	34.5	Very low	45.7	Very low	165 Å²	165	132.4 Å²	132.4	88%	0.882	76%	0.755	S	S	*	*			trans	-89	96.6	163.3	-73.1	-40.6	0	0	0	108.7	E21	D19-E21 PolarHBondContact O-N 2.81Å; D19-E21 VanDerWaalsContact O-N 3.14Å
20	N	39.8	Very low	48.4	Very low	151 Å²	151	126.5 Å²	126.5	81%	0.807	75%	0.745	S	S	*	*			trans	-66.7	103.7	163.3	-111.4	-0.3	0	0	0	106.9	S18 L22	S18-N20 PolarHBondContact O-N 3.2Å; N20-L22 VanDerWaalsContact C-N 3.29Å; N20-L22 PolarHBondContact O-N 3.2Å
21	E	37.2	Very low	51.4	Low	187 Å²	187	121.7 Å²	121.7	87%	0.874	72%	0.717	S	S	*	*			trans	-63.4	95.8	166.7	-74.6	-171	128.4	0	0	108.8	D19 L23	D19-E21 PolarHBondContact O-N 2.81Å; D19-E21 VanDerWaalsContact O-N 3.14Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3Å
22	L	38.9	Very low	54.3	Low	162 Å²	162	120.1 Å²	120.1	85%	0.848	71%	0.706	S	S	*	*			trans	-66	95.3	172.2	-82	156.6	0	0	0	108.3	N20	N20-L22 VanDerWaalsContact C-N 3.29Å; N20-L22 PolarHBondContact O-N 3.2Å
23	L	42.8	Very low	57.3	Low	120 Å²	120	114.3 Å²	114.3	63%	0.628	67%	0.668	S	S	*	*			trans	-41.9	137.4	163	-74.1	152.3	0	0	0	109.4	E21 D25	E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3Å; L23-D25 PolarHBondContact O-N 3.34Å
24	P	48.8	Very low	60.4	Low	110 Å²	110	111 Å²	111	71%	0.714	65%	0.645	S	S	*	*			trans	-53.9	140.9	-173.5	21.7	-33.6	0	0	0	111.2	R26	P24-R26 VanDerWaalsContact O-CG 3.28Å; P24-R26 WeakPolarHBondContact O-CG 3.3Å; P24-R26 PolarHBondContact O-N 3.28Å
25	D	52.7	Low	63	Low	171 Å²	171	111 Å²	111	91%	0.914	64%	0.635	S	S	*	*			trans	-58.6	93.5	-166.3	-155.5	13.4	0	0	0	111	L23	L23-D25 PolarHBondContact O-N 3.34Å
26	R	63.1	Low	66.1	Low	86 Å²	86	113.6 Å²	113.6	33%	0.325	63%	0.632	S	S	.	*			trans	-68.3	141.6	-171.2	-56.2	-171.1	-161.1	-157.5	2.4	109	P24 K28 L74	P24-R26 VanDerWaalsContact O-CG 3.28Å; P24-R26 WeakPolarHBondContact O-CG 3.3Å; P24-R26 PolarHBondContact O-N 3.28Å; R26-K28 PolarHBondContact O-N 2.88Å; R26-L74 PolarHBondContact NH1-O 2.78Å
27	P	68.5	Low	69.2	Low	117 Å²	117	109.2 Å²	109.2	76%	0.76	60%	0.6	S	S	*	*			trans	-56.2	113.4	178	23.2	-33.2	0	0	0	109.8	Y29	P27-Y29 PolarHBondContact O-N 3.01Å; P27-Y29 VanDerWaalsContact O-N 3.16Å
28	K	81.3	Confident	72.1	Confident	178 Å²	178	102.9 Å²	102.9	77%	0.774	57%	0.567	S	S	*	*			trans	-58.7	120.1	-173.6	-176.7	175.7	-177.9	174.5	0	110.1	R26 V30	R26-K28 PolarHBondContact O-N 2.88Å; K28-V30 PolarHBondContact O-N 2.94Å
29	Y	92	Very high	74.8	Confident	30 Å²	30	101.6 Å²	101.6	12%	0.118	56%	0.555	C	S	.	*			trans	-59.7	131.9	-179	169.5	-93.9	0	0	0	112.4	P27 C31 R52 L53 D76 A77 L80 R84 E174	P27-Y29 PolarHBondContact O-N 3.01Å; P27-Y29 VanDerWaalsContact O-N 3.16Å; Y29-C31 HydrophobicContact CE1-CB 3.87Å; Y29-C31 WeakPolarHBondContact OH-CA 3.48Å; Y29-C31 WeakPolarHBondContact OH-CB 3.29Å; Y29-R52 VanDerWaalsContact CE1-CD 3.41Å; Y29-L53 HydrophobicContact CD1-CD2 3.85Å; Y29-L53 HydrophobicContact CG-CD2 4.37Å; Y29-D76 VanDerWaalsContact CB-OD2 3.26Å; Y29-D76 WeakPolarHBondContact CB-OD2 3.28Å; Y29-D76 HydrophobicContact CD2-CB 4.21Å; Y29-D76 HydrophobicContact CG-CB 3.97Å; Y29-A77 HydrophobicContact CD2-CB 4.2Å; Y29-A77 HydrophobicContact CE2-CB 4.45Å; Y29-L80 HydrophobicContact CD1-CD1 4.35Å; Y29-L80 HydrophobicContact CD2-CD1 4.03Å; Y29-L80 HydrophobicContact CE1-CD1 3.83Å; Y29-L80 HydrophobicContact CE2-CD1 3.48Å; Y29-L80 VanDerWaalsContact CE2-CD1 3.48Å; Y29-L80 HydrophobicContact CG-CD1 4.43Å; Y29-R84 PolarHBondContact OH-NH2 2.82Å; Y29-E174 VanDerWaalsContact OH-CD 3.25Å; Y29-E174 PolarHBondContact OH-OE1 3.32Å; Y29-E174 PolarHBondContact OH-OE2 3.02Å
30	V	92.8	Very high	77.8	Confident	120 Å²	120	95.7 Å²	95.7	73%	0.727	52%	0.521	S	S	*	.			trans	-120.7	120.8	173.6	-179.1	0	0	0	0	107.5	K28 S32	K28-V30 PolarHBondContact O-N 2.94Å; V30-S32 PolarHBondContact O-N 2.78Å
31	C	94.8	Very high	80.6	Confident	35 Å²	35	88.5 Å²	88.5	24%	0.236	48%	0.483	C	S	.	.			trans	-70.4	127.6	177	-173	0	0	0	0	110.4	Y29	Y29-C31 HydrophobicContact CE1-CB 3.87Å; Y29-C31 WeakPolarHBondContact OH-CA 3.48Å; Y29-C31 WeakPolarHBondContact OH-CB 3.29Å
32	S	96.6	Very high	83.5	Confident	79 Å²	79	85 Å²	85	55%	0.552	46%	0.461	S	S	*	.			trans	-92.3	-5.3	179.1	49.4	0	0	0	0	114.4	V30 E174	V30-S32 PolarHBondContact O-N 2.78Å; S32-E174 PolarHBondContact N-OE1 3.06Å; S32-E174 VanDerWaalsContact OG-CG 3.23Å; S32-E174 WeakPolarHBondContact OG-CG 3.2Å; S32-E174 PolarHBondContact OG-OE1 2.96Å
33	L	97.6	Very high	86.3	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.063	45%	0.454	C	S	.	.			trans	-66.7	138.3	-178.1	-63.3	178.1	0	0	0	113.2	L37 I38 A41 E174 E175 V178	L33-L37 HydrophobicContact CB-CB 4.16Å; L33-L37 HydrophobicContact CD2-CB 4.02Å; L33-L37 HydrophobicContact CD2-CD1 4.17Å; L33-I38 HydrophobicContact CB-CD1 4.5Å; L33-I38 HydrophobicContact CB-CG1 3.77Å; L33-I38 HydrophobicContact CD1-CG1 4.45Å; L33-A41 HydrophobicContact CD1-CB 4.37Å; L33-E174 HydrophobicContact CD2-CB 3.6Å; L33-E174 HydrophobicContact CG-CB 4.05Å; L33-E175 HydrophobicContact CD2-CG 4.47Å; L33-V178 HydrophobicContact CD1-CG2 3.71Å; L33-V178 HydrophobicContact CD2-CB 4.47Å; L33-V178 HydrophobicContact CD2-CG2 3.81Å; L33-V178 HydrophobicContact CG-CG2 4.43Å
34	S	97.8	Very high	88.9	Confident	46 Å²	46	81.2 Å²	81.2	32%	0.322	44%	0.436	S	S	.	.			trans	-65.5	161.6	168.2	72	0	0	0	0	112.2	D36 L37 I38	S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 3.12Å; S34-L37 PolarHBondContact O-N 2.78Å; S34-L37 VanDerWaalsContact O-N 3.1Å; S34-L37 WeakPolarHBondContact OG-CG 3.32Å; S34-L37 PolarHBondContact OG-N 3.24Å; S34-I38 WeakPolarHBondContact O-CG1 3.14Å; S34-I38 PolarHBondContact O-N 2.93Å
35	P	98	Very high	91.2	Very high	98 Å²	98	76 Å²	76	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-54.9	-38.4	177.7	-27.7	36.6	0	0	0	114.1	I38 T39	P35-I38 PolarHBondContact O-N 2.86Å; P35-T39 PolarHBondContact O-N 2.97Å; P35-T39 PolarHBondContact O-OG1 2.85Å
36	D	97.9	Very high	93.4	Very high	130 Å²	130	74 Å²	74	70%	0.695	39%	0.388	S	S	*	.	H	α-helix	trans	-67.2	-41.6	177.7	-59.6	-24	0	0	0	111.3	S34 T39 K40	S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 3.12Å; D36-T39 WeakPolarHBondContact O-CB 3.43Å; D36-T39 PolarHBondContact O-N 3.4Å; D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 PolarHBondContact O-N 2.9Å
37	L	98.2	Very high	95.1	Very high	17 Å²	17	70 Å²	70	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-72.2	-30.6	176.4	-66.3	178.7	0	0	0	112.7	L33 S34 T39 K40 A41 E175 V178 N179	L33-L37 HydrophobicContact CB-CB 4.16Å; L33-L37 HydrophobicContact CD2-CB 4.02Å; L33-L37 HydrophobicContact CD2-CD1 4.17Å; S34-L37 PolarHBondContact O-N 2.78Å; S34-L37 VanDerWaalsContact O-N 3.1Å; S34-L37 WeakPolarHBondContact OG-CG 3.32Å; S34-L37 PolarHBondContact OG-N 3.24Å; L37-T39 VanDerWaalsContact C-N 3.3Å; L37-K40 HydrophobicContact CD2-CD 4.21Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.41Å; L37-E175 HydrophobicContact CD1-CB 3.91Å; L37-E175 HydrophobicContact CD1-CG 3.57Å; L37-V178 HydrophobicContact CD2-CG1 4.25Å; L37-N179 WeakPolarHBondContact CD2-OD1 3.34Å
38	I	98.3	Very high	96.4	Very high	49 Å²	49	67.9 Å²	67.9	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-41.7	169.1	-72.4	169.7	0	0	0	110.3	L33 S34 P35 A41 R42 P49	L33-I38 HydrophobicContact CB-CD1 4.5Å; L33-I38 HydrophobicContact CB-CG1 3.77Å; L33-I38 HydrophobicContact CD1-CG1 4.45Å; S34-I38 WeakPolarHBondContact O-CG1 3.14Å; S34-I38 PolarHBondContact O-N 2.93Å; P35-I38 PolarHBondContact O-N 2.86Å; I38-A41 PolarHBondContact O-N 3.42Å; I38-R42 WeakPolarHBondContact O-CB 3.29Å; I38-R42 PolarHBondContact O-N 3.28Å; I38-P49 HydrophobicContact CG2-CG 3.53Å
39	T	98.3	Very high	97	Very high	70 Å²	70	61.4 Å²	61.4	43%	0.429	33%	0.328	S	S	.	.	H	α-helix	trans	-66.8	-48.8	177.7	-55.1	0	0	0	0	110.5	P35 D36 L37 A41 R42 E43	P35-T39 PolarHBondContact O-N 2.97Å; P35-T39 PolarHBondContact O-OG1 2.85Å; D36-T39 WeakPolarHBondContact O-CB 3.43Å; D36-T39 PolarHBondContact O-N 3.4Å; L37-T39 VanDerWaalsContact C-N 3.3Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 3.35Å; T39-R42 WeakPolarHBondContact O-CB 3.5Å; T39-R42 PolarHBondContact O-N 2.91Å; T39-R42 VanDerWaalsContact O-N 3.14Å; T39-E43 WeakPolarHBondContact O-CG 3.42Å; T39-E43 PolarHBondContact O-N 3.24Å
40	K	98.3	Very high	97.2	Very high	41 Å²	41	65.4 Å²	65.4	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-39.2	174.1	-167	174.8	-168.6	170	0	112.5	D36 L37 E43 E44 E137 V178 N179	D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 PolarHBondContact O-N 2.9Å; L37-K40 HydrophobicContact CD2-CD 4.21Å; K40-E43 PolarHBondContact O-N 3.36Å; K40-E44 WeakPolarHBondContact CE-OE1 3.4Å; K40-E44 HydrophobicContact CG-CG 4.33Å; K40-E44 VanDerWaalsContact O-CB 3.31Å; K40-E44 WeakPolarHBondContact O-CB 3.44Å; K40-E44 PolarHBondContact O-N 3.24Å; K40-E137 PolarHBondContact NZ-O 3.37Å; K40-E137 IonicContact NZ-OE2 2.71Å; K40-E137 PolarHBondContact NZ-OE2 3.08Å; K40-V178 HydrophobicContact CB-CG1 4.25Å; K40-V178 HydrophobicContact CD-CG1 4.35Å; K40-V178 HydrophobicContact CG-CG1 4.24Å; K40-N179 WeakPolarHBondContact CD-OD1 3.35Å; K40-N179 WeakPolarHBondContact CE-OD1 3.4Å; K40-N179 PolarHBondContact NZ-OD1 3.35Å
41	A	98.4	Very high	97.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-41	176.1	0	0	0	0	0	111.9	L33 L37 I38 T39 E43 L45 Q46 E47 V178	L33-A41 HydrophobicContact CD1-CB 4.37Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 3.41Å; I38-A41 PolarHBondContact O-N 3.42Å; T39-A41 VanDerWaalsContact C-N 3.32Å; T39-A41 PolarHBondContact O-N 3.35Å; A41-E43 PolarHBondContact O-N 2.98Å; A41-L45 HydrophobicContact CB-CD1 4.24Å; A41-L45 CarbonylContact O-C 3.54Å; A41-L45 VanDerWaalsContact O-CA 3.23Å; A41-L45 WeakPolarHBondContact O-CA 3.29Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.23Å; A41-Q46 PolarHBondContact O-N 3.29Å; A41-Q46 VanDerWaalsContact O-N 3.15Å; A41-E47 HydrophobicContact CB-CB 3.96Å; A41-E47 HydrophobicContact CB-CG 4.45Å; A41-E47 PolarHBondContact O-N 3.13Å; A41-V178 HydrophobicContact CB-CG1 4.11Å; A41-V178 HydrophobicContact CB-CG2 3.93Å
42	R	98.3	Very high	97.4	Very high	114 Å²	114	64 Å²	64	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-42.3	174.2	179.2	176.9	-80.5	-145	-8.9	112.2	I38 T39 Q46 E47 E50	I38-R42 WeakPolarHBondContact O-CB 3.29Å; I38-R42 PolarHBondContact O-N 3.28Å; T39-R42 WeakPolarHBondContact O-CB 3.5Å; T39-R42 PolarHBondContact O-N 2.91Å; T39-R42 VanDerWaalsContact O-N 3.14Å; R42-Q46 VanDerWaalsContact O-CA 3.29Å; R42-Q46 WeakPolarHBondContact O-CA 3.44Å; R42-Q46 PolarHBondContact O-N 2.88Å; R42-E47 WeakPolarHBondContact CA-O 3.41Å; R42-E47 WeakPolarHBondContact CB-O 3.48Å; R42-E50 IonicContact CZ-OE1 3.3Å; R42-E50 IonicContact CZ-OE2 2.74Å; R42-E50 IonicContact NH2-OE1 2.74Å; R42-E50 PolarHBondContact NH2-OE1 3.16Å; R42-E50 IonicContact NH2-OE2 2.65Å; R42-E50 PolarHBondContact NH2-OE2 3.32Å
43	E	98.1	Very high	97.3	Very high	148 Å²	148	64.1 Å²	64.1	69%	0.692	32%	0.318	S	S	*	.	H	α-helix	trans	-79.9	-52.9	-178.1	-67.4	175.4	176.6	0	0	113.4	T39 K40 A41	T39-E43 WeakPolarHBondContact O-CG 3.42Å; T39-E43 PolarHBondContact O-N 3.24Å; K40-E43 PolarHBondContact O-N 3.36Å; A41-E43 PolarHBondContact O-N 2.98Å
44	E	97.6	Very high	97.3	Very high	54 Å²	54	70 Å²	70	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-76.3	-33.7	-177.3	-74	-159.1	-148	0	0	112.7	K40 K87 R217 K219	K40-E44 WeakPolarHBondContact CE-OE1 3.4Å; K40-E44 HydrophobicContact CG-CG 4.33Å; K40-E44 VanDerWaalsContact O-CB 3.31Å; K40-E44 WeakPolarHBondContact O-CB 3.44Å; K40-E44 PolarHBondContact O-N 3.24Å; E44-K87 WeakPolarHBondContact O-CD 3.42Å; E44-K87 WeakPolarHBondContact O-CE 3.4Å; E44-K87 PolarHBondContact O-NZ 2.74Å; E44-R217 IonicContact OE2-CZ 2.74Å; E44-R217 IonicContact OE2-NH2 3.52Å; E44-R217 PolarHBondContact OE2-NH2 3.02Å; E44-K219 VanDerWaalsContact CD-NZ 3.35Å; E44-K219 IonicContact OE1-NZ 3.9Å; E44-K219 PolarHBondContact OE1-NZ 3.49Å; E44-K219 IonicContact OE2-NZ 3.86Å; E44-K219 PolarHBondContact OE2-NZ 2.8Å
45	L	97.9	Very high	97.3	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-117.6	-1.6	-168.6	-40.6	-179.6	0	0	0	114.4	A41 E47 R84 K87 F88 V178 R217	A41-L45 HydrophobicContact CB-CD1 4.24Å; A41-L45 CarbonylContact O-C 3.54Å; A41-L45 VanDerWaalsContact O-CA 3.23Å; A41-L45 WeakPolarHBondContact O-CA 3.29Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.23Å; L45-E47 PolarHBondContact O-N 2.94Å; L45-R84 HydrophobicContact CD1-CB 3.95Å; L45-R84 HydrophobicContact CD1-CG 4Å; L45-K87 CarbonylContact O-C 3.59Å; L45-K87 WeakPolarHBondContact O-CA 3.44Å; L45-F88 WeakPolarHBondContact O-CD2 3.41Å; L45-V178 HydrophobicContact CD1-CG2 4.15Å; L45-R217 VanDerWaalsContact CD2-NH2 3.3Å
46	Q	97.9	Very high	97.3	Very high	130 Å²	130	63.3 Å²	63.3	61%	0.607	30%	0.295	S	S	*	.			trans	62.1	17.1	-176.6	-52.7	-178.2	-30.4	0	0	113.8	A41 R42 K48	A41-Q46 PolarHBondContact O-N 3.29Å; A41-Q46 VanDerWaalsContact O-N 3.15Å; R42-Q46 VanDerWaalsContact O-CA 3.29Å; R42-Q46 WeakPolarHBondContact O-CA 3.44Å; R42-Q46 PolarHBondContact O-N 2.88Å; Q46-K48 PolarHBondContact O-N 2.81Å
47	E	97.7	Very high	97.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	28%	0.279	C	S	.	.			trans	-71.4	117.9	179.4	-176.5	169.7	154.8	0	0	111.3	A41 R42 L45 R52 R84 F88	A41-E47 HydrophobicContact CB-CB 3.96Å; A41-E47 HydrophobicContact CB-CG 4.45Å; A41-E47 PolarHBondContact O-N 3.13Å; R42-E47 WeakPolarHBondContact CA-O 3.41Å; R42-E47 WeakPolarHBondContact CB-O 3.48Å; L45-E47 PolarHBondContact O-N 2.94Å; E47-R52 IonicContact OE1-CZ 3.97Å; E47-R52 IonicContact OE1-NE 3.82Å; E47-R52 PolarHBondContact OE1-NE 3.35Å; E47-R52 IonicContact OE1-NH2 3.39Å; E47-R52 PolarHBondContact OE1-NH2 2.78Å; E47-R84 IonicContact OE1-CZ 2.77Å; E47-R84 IonicContact OE1-NE 3.54Å; E47-R84 IonicContact OE1-NH2 2.75Å; E47-R84 PolarHBondContact OE1-NH2 2.98Å; E47-R84 WeakPolarHBondContact OE2-CG 3.15Å; E47-R84 IonicContact OE2-CZ 2.73Å; E47-R84 IonicContact OE2-NE 3.18Å; E47-R84 PolarHBondContact OE2-NE 2.88Å; E47-R84 IonicContact OE2-NH2 3.17Å; E47-F88 HydrophobicContact CB-CD2 3.98Å; E47-F88 HydrophobicContact CB-CE2 3.47Å; E47-F88 VanDerWaalsContact CB-CE2 3.47Å; E47-F88 HydrophobicContact CB-CZ 3.9Å; E47-F88 HydrophobicContact CG-CE1 4.31Å; E47-F88 HydrophobicContact CG-CE2 3.62Å; E47-F88 HydrophobicContact CG-CZ 3.51Å
48	K	96.1	Very high	97.3	Very high	73 Å²	73	61.4 Å²	61.4	32%	0.317	29%	0.286	S	S	.	.			trans	-106.1	110.8	174.3	-69.4	-176	-168.5	175.6	0	109.5	Q46 E50 W51 R52	Q46-K48 PolarHBondContact O-N 2.81Å; K48-E50 VanDerWaalsContact C-OE2 3.25Å; K48-E50 HydrophobicContact CB-CG 4.26Å; K48-E50 WeakPolarHBondContact CB-OE2 3.5Å; K48-E50 PolarHBondContact O-N 3.37Å; K48-E50 VanDerWaalsContact O-N 3.09Å; K48-W51 HydrophobicContact CB-CB 4.26Å; K48-W51 HydrophobicContact CB-CD2 4.3Å; K48-W51 HydrophobicContact CB-CE3 4.34Å; K48-W51 HydrophobicContact CB-CG 4.32Å; K48-W51 HydrophobicContact CD-CD2 3.97Å; K48-W51 HydrophobicContact CD-CE3 3.58Å; K48-W51 HydrophobicContact CD-CH2 4.05Å; K48-W51 HydrophobicContact CD-CZ2 4.37Å; K48-W51 HydrophobicContact CD-CZ3 3.65Å; K48-W51 HydrophobicContact CG-CE3 4.49Å; K48-W51 VanDerWaalsContact NZ-CH2 3.28Å; K48-W51 VanDerWaalsContact NZ-CZ3 3.27Å; K48-W51 PolarHBondContact O-N 3Å; K48-R52 PolarHBondContact O-N 2.79Å
49	P	94.9	Very high	97.3	Very high	43 Å²	43	59.1 Å²	59.1	28%	0.279	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-37	-179.8	-30.8	35.4	0	0	0	114.7	I38 W51	I38-P49 HydrophobicContact CG2-CG 3.53Å; P49-W51 VanDerWaalsContact C-N 3.28Å; P49-W51 PolarHBondContact O-N 3.04Å
50	E	95.6	Very high	97.2	Very high	114 Å²	114	56.5 Å²	56.5	53%	0.533	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.9	177.9	61.1	-90.6	-131.8	0	0	114.2	R42 K48	R42-E50 IonicContact CZ-OE1 3.3Å; R42-E50 IonicContact CZ-OE2 2.74Å; R42-E50 IonicContact NH2-OE1 2.74Å; R42-E50 PolarHBondContact NH2-OE1 3.16Å; R42-E50 IonicContact NH2-OE2 2.65Å; R42-E50 PolarHBondContact NH2-OE2 3.32Å; K48-E50 VanDerWaalsContact C-OE2 3.25Å; K48-E50 HydrophobicContact CB-CG 4.26Å; K48-E50 WeakPolarHBondContact CB-OE2 3.5Å; K48-E50 PolarHBondContact O-N 3.37Å; K48-E50 VanDerWaalsContact O-N 3.09Å
51	W	96	Very high	97.1	Very high	106 Å²	106	58.7 Å²	58.7	40%	0.402	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-13.4	-179.3	-60.6	-11.2	0	0	0	113.1	K48 P49 L53 R54 D55	K48-W51 HydrophobicContact CB-CB 4.26Å; K48-W51 HydrophobicContact CB-CD2 4.3Å; K48-W51 HydrophobicContact CB-CE3 4.34Å; K48-W51 HydrophobicContact CB-CG 4.32Å; K48-W51 HydrophobicContact CD-CD2 3.97Å; K48-W51 HydrophobicContact CD-CE3 3.58Å; K48-W51 HydrophobicContact CD-CH2 4.05Å; K48-W51 HydrophobicContact CD-CZ2 4.37Å; K48-W51 HydrophobicContact CD-CZ3 3.65Å; K48-W51 HydrophobicContact CG-CE3 4.49Å; K48-W51 VanDerWaalsContact NZ-CH2 3.28Å; K48-W51 VanDerWaalsContact NZ-CZ3 3.27Å; K48-W51 PolarHBondContact O-N 3Å; P49-W51 VanDerWaalsContact C-N 3.28Å; P49-W51 PolarHBondContact O-N 3.04Å; W51-L53 VanDerWaalsContact C-N 3.33Å; W51-L53 PolarHBondContact O-N 2.87Å; W51-L53 VanDerWaalsContact O-N 3.1Å; W51-R54 VanDerWaalsContact CD2-NH2 3.33Å; W51-R54 WeakPolarHBondContact O-CA 3.37Å; W51-R54 VanDerWaalsContact O-CB 3.31Å; W51-R54 WeakPolarHBondContact O-CB 3.18Å; W51-R54 PolarHBondContact O-N 3.03Å; W51-D55 VanDerWaalsContact CB-OD2 3.32Å; W51-D55 WeakPolarHBondContact CB-OD2 3.34Å; W51-D55 VanDerWaalsContact O-CG 3.26Å; W51-D55 PolarHBondContact O-N 3.17Å
52	R	95.9	Very high	97.1	Very high	19 Å²	19	60.4 Å²	60.4	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-41.6	-52.6	-174.2	-173.8	-173.1	-69.3	121.3	-6	114.3	Y29 E47 K48 D55 V56 L80	Y29-R52 VanDerWaalsContact CE1-CD 3.41Å; E47-R52 IonicContact OE1-CZ 3.97Å; E47-R52 IonicContact OE1-NE 3.82Å; E47-R52 PolarHBondContact OE1-NE 3.35Å; E47-R52 IonicContact OE1-NH2 3.39Å; E47-R52 PolarHBondContact OE1-NH2 2.78Å; K48-R52 PolarHBondContact O-N 2.79Å; R52-D55 PolarHBondContact O-N 3.46Å; R52-V56 WeakPolarHBondContact O-CB 3.49Å; R52-V56 VanDerWaalsContact O-CG2 3.22Å; R52-V56 WeakPolarHBondContact O-CG2 3.14Å; R52-V56 PolarHBondContact O-N 3.24Å; R52-L80 HydrophobicContact CG-CD1 4.28Å; R52-L80 HydrophobicContact CG-CD2 3.65Å
53	L	95.6	Very high	97	Very high	81 Å²	81	55 Å²	55	42%	0.424	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-33.7	-178.2	-64.9	-179	0	0	0	113.1	Y29 W51 Q57 D76	Y29-L53 HydrophobicContact CD1-CD2 3.85Å; Y29-L53 HydrophobicContact CG-CD2 4.37Å; W51-L53 VanDerWaalsContact C-N 3.33Å; W51-L53 PolarHBondContact O-N 2.87Å; W51-L53 VanDerWaalsContact O-N 3.1Å; L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 2.78Å; L53-D76 WeakPolarHBondContact CD2-OD2 3.43Å
54	R	96.7	Very high	96.9	Very high	135 Å²	135	50.5 Å²	50.5	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-42.4	173.1	-179.2	-157.9	68.7	-175	1.4	110.7	W51 V56 Q57 A58	W51-R54 VanDerWaalsContact CD2-NH2 3.33Å; W51-R54 WeakPolarHBondContact O-CA 3.37Å; W51-R54 VanDerWaalsContact O-CB 3.31Å; W51-R54 WeakPolarHBondContact O-CB 3.18Å; W51-R54 PolarHBondContact O-N 3.03Å; R54-V56 VanDerWaalsContact C-N 3.34Å; R54-Q57 PolarHBondContact O-N 3.12Å; R54-A58 PolarHBondContact O-N 3.34Å
55	D	97.9	Very high	96.8	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-72.9	-32.4	-177	-55.8	-17	0	0	0	110.9	W51 R52 L59 F88 Y90	W51-D55 VanDerWaalsContact CB-OD2 3.32Å; W51-D55 WeakPolarHBondContact CB-OD2 3.34Å; W51-D55 VanDerWaalsContact O-CG 3.26Å; W51-D55 PolarHBondContact O-N 3.17Å; R52-D55 PolarHBondContact O-N 3.46Å; D55-L59 PolarHBondContact O-N 3.2Å; D55-L59 VanDerWaalsContact O-N 3.17Å; D55-F88 HydrophobicContact CB-CD1 4Å; D55-F88 HydrophobicContact CB-CE1 4.26Å; D55-Y90 HydrophobicContact CB-CE1 4.04Å; D55-Y90 PolarHBondContact OD1-OH 2.91Å
56	V	97.6	Very high	96.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-44.8	166.7	166.5	0	0	0	0	112	R52 R54 A58 L59 R60 D76 L79 L80 L83	R52-V56 WeakPolarHBondContact O-CB 3.49Å; R52-V56 VanDerWaalsContact O-CG2 3.22Å; R52-V56 WeakPolarHBondContact O-CG2 3.14Å; R52-V56 PolarHBondContact O-N 3.24Å; R54-V56 VanDerWaalsContact C-N 3.34Å; V56-A58 VanDerWaalsContact C-N 3.33Å; V56-A58 PolarHBondContact O-N 3.35Å; V56-L59 PolarHBondContact O-N 3.41Å; V56-R60 WeakPolarHBondContact O-CB 3.43Å; V56-R60 PolarHBondContact O-N 2.85Å; V56-D76 HydrophobicContact CG1-CB 4.08Å; V56-D76 WeakPolarHBondContact CG1-OD1 3.48Å; V56-L79 HydrophobicContact CG1-CB 4.32Å; V56-L79 HydrophobicContact CG1-CD1 4.28Å; V56-L80 HydrophobicContact CG2-CD1 4.31Å; V56-L80 HydrophobicContact CG2-CD2 3.5Å; V56-L80 HydrophobicContact CG2-CG 3.55Å; V56-L83 HydrophobicContact CB-CD1 4.43Å; V56-L83 HydrophobicContact CG2-CD1 3.71Å
57	Q	97.4	Very high	96.6	Very high	78 Å²	78	56.8 Å²	56.8	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-41.8	175.5	-173.4	63	40.6	0	0	111.3	L53 R54 L59 R60 D61	L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 2.78Å; R54-Q57 PolarHBondContact O-N 3.12Å; Q57-L59 PolarHBondContact O-N 3.2Å; Q57-R60 WeakPolarHBondContact O-CB 3.33Å; Q57-R60 PolarHBondContact O-N 3.23Å; Q57-R60 VanDerWaalsContact O-N 3.13Å; Q57-D61 PolarHBondContact NE2-OD1 2.9Å; Q57-D61 PolarHBondContact O-N 3.17Å
58	A	98.2	Very high	96.2	Very high	29 Å²	29	60 Å²	60	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-45	176.1	0	0	0	0	0	112.2	R54 V56 D61 M62 Y90	R54-A58 PolarHBondContact O-N 3.34Å; V56-A58 VanDerWaalsContact C-N 3.33Å; V56-A58 PolarHBondContact O-N 3.35Å; A58-D61 PolarHBondContact O-N 3.07Å; A58-M62 VanDerWaalsContact O-CG 3.25Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 2.96Å; A58-Y90 HydrophobicContact CB-CE2 4.29Å
59	L	98.3	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-39.6	174.8	179.7	59.6	0	0	0	112	D55 V56 Q57 M62 V63 L79 F82 L83 A93 L94	D55-L59 PolarHBondContact O-N 3.2Å; D55-L59 VanDerWaalsContact O-N 3.17Å; V56-L59 PolarHBondContact O-N 3.41Å; Q57-L59 PolarHBondContact O-N 3.2Å; L59-M62 PolarHBondContact O-N 3.22Å; L59-V63 HydrophobicContact CD1-CG2 4.45Å; L59-V63 VanDerWaalsContact O-CG2 3.31Å; L59-V63 WeakPolarHBondContact O-CG2 3.18Å; L59-V63 PolarHBondContact O-N 2.95Å; L59-L79 HydrophobicContact CD2-CB 4.31Å; L59-L79 HydrophobicContact CD2-CD2 4.4Å; L59-F82 HydrophobicContact CD2-CB 4.35Å; L59-L83 HydrophobicContact CB-CD2 4.32Å; L59-L83 HydrophobicContact CD2-CD1 4.36Å; L59-L83 HydrophobicContact CD2-CD2 3.98Å; L59-L83 HydrophobicContact CD2-CG 3.77Å; L59-A93 HydrophobicContact CD1-CB 4.31Å; L59-A93 HydrophobicContact CD2-CB 4.06Å; L59-L94 HydrophobicContact CD1-CB 3.89Å; L59-L94 HydrophobicContact CD1-CD1 4.32Å
60	R	97.2	Very high	95.5	Very high	16 Å²	16	60.7 Å²	60.7	6%	0.06	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-48.8	175.1	179.4	-179.6	-64.7	117.1	7.4	111.6	V56 Q57 M62 V63 C64 L74 D76 L79	V56-R60 WeakPolarHBondContact O-CB 3.43Å; V56-R60 PolarHBondContact O-N 2.85Å; Q57-R60 WeakPolarHBondContact O-CB 3.33Å; Q57-R60 PolarHBondContact O-N 3.23Å; Q57-R60 VanDerWaalsContact O-N 3.13Å; R60-M62 VanDerWaalsContact C-N 3.32Å; R60-M62 PolarHBondContact O-N 3.21Å; R60-V63 PolarHBondContact O-N 3.43Å; R60-V63 VanDerWaalsContact O-N 3.15Å; R60-C64 PolarHBondContact O-N 3.34Å; R60-C64 PolarHBondContact O-SG 3.01Å; R60-C64 VanDerWaalsContact O-SG 3.41Å; R60-L74 HydrophobicContact CG-CB 4.42Å; R60-L74 HydrophobicContact CG-CD1 4.36Å; R60-L74 HydrophobicContact CG-CD2 4.37Å; R60-L74 VanDerWaalsContact CZ-O 3.29Å; R60-L74 PolarHBondContact NE-O 3.11Å; R60-L74 PolarHBondContact NH2-O 2.82Å; R60-D76 IonicContact CZ-OD1 3.51Å; R60-D76 IonicContact NH1-OD1 3.43Å; R60-D76 PolarHBondContact NH1-OD1 3.14Å; R60-D76 IonicContact NH2-OD1 2.67Å; R60-D76 PolarHBondContact NH2-OD1 3.1Å; R60-L79 HydrophobicContact CB-CD1 3.78Å; R60-L79 HydrophobicContact CG-CD1 4.44Å
61	D	97	Very high	94.9	Very high	86 Å²	86	55.6 Å²	55.6	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-41.7	179.6	-62.5	-23.3	0	0	0	111.2	Q57 A58 V63 C64 K65	Q57-D61 PolarHBondContact NE2-OD1 2.9Å; Q57-D61 PolarHBondContact O-N 3.17Å; A58-D61 PolarHBondContact O-N 3.07Å; D61-V63 PolarHBondContact O-N 2.91Å; D61-C64 PolarHBondContact O-N 3.05Å; D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 3.11Å
62	M	97.9	Very high	94.5	Very high	37 Å²	37	51 Å²	51	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-41	174.1	-69.2	169	74.7	0	0	112.3	A58 L59 R60 D66 D91 L94	A58-M62 VanDerWaalsContact O-CG 3.25Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 2.96Å; L59-M62 PolarHBondContact O-N 3.22Å; R60-M62 VanDerWaalsContact C-N 3.32Å; R60-M62 PolarHBondContact O-N 3.21Å; M62-D66 WeakPolarHBondContact O-CB 3.5Å; M62-D66 PolarHBondContact O-N 3.24Å; M62-D91 WeakPolarHBondContact CE-OD1 3.38Å; M62-L94 HydrophobicContact CB-CD2 4.15Å; M62-L94 HydrophobicContact CE-CD2 4.04Å
63	V	96.4	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-50.7	176.1	173.8	0	0	0	0	111.3	L59 R60 D61 K65 Y67 L70 T72 L74 L94 L97	L59-V63 HydrophobicContact CD1-CG2 4.45Å; L59-V63 VanDerWaalsContact O-CG2 3.31Å; L59-V63 WeakPolarHBondContact O-CG2 3.18Å; L59-V63 PolarHBondContact O-N 2.95Å; R60-V63 PolarHBondContact O-N 3.43Å; R60-V63 VanDerWaalsContact O-N 3.15Å; D61-V63 PolarHBondContact O-N 2.91Å; V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 3.1Å; V63-Y67 CarbonylContact O-C 3.18Å; V63-Y67 WeakPolarHBondContact O-CA 3.34Å; V63-Y67 PolarHBondContact O-N 2.9Å; V63-L70 HydrophobicContact CG1-CD2 4.28Å; V63-T72 HydrophobicContact CG1-CG2 3.76Å; V63-L74 HydrophobicContact CB-CD2 4.16Å; V63-L74 HydrophobicContact CG1-CD2 3.82Å; V63-L94 HydrophobicContact CB-CD1 4.39Å; V63-L94 HydrophobicContact CG2-CD1 3.49Å; V63-L94 VanDerWaalsContact CG2-CD1 3.49Å; V63-L97 HydrophobicContact CG1-CD2 4.48Å; V63-L97 HydrophobicContact CG2-CD2 3.43Å; V63-L97 VanDerWaalsContact CG2-CD2 3.43Å
64	C	94.6	Very high	93.9	Very high	53 Å²	53	48 Å²	48	36%	0.358	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-38.4	-179.3	-65.1	0	0	0	0	112.1	R60 D61 P68 L74	R60-C64 PolarHBondContact O-N 3.34Å; R60-C64 PolarHBondContact O-SG 3.01Å; R60-C64 VanDerWaalsContact O-SG 3.41Å; D61-C64 PolarHBondContact O-N 3.05Å; C64-P68 WeakPolarHBondContact O-CB 3.43Å; C64-L74 VanDerWaalsContact SG-CD1 3.56Å
65	K	95.9	Very high	93.7	Very high	158 Å²	158	44.5 Å²	44.5	69%	0.687	24%	0.244	S	C	*	.	H	α-helix	trans	-75.7	-50.8	-178.9	-179	-176.9	156.7	-88.6	0	113.2	D61 V63	D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 3.11Å; V63-K65 VanDerWaalsContact C-N 3.3Å; V63-K65 PolarHBondContact O-N 3.1Å
66	D	96.4	Very high	93.6	Very high	74 Å²	74	45.9 Å²	45.9	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-93.8	-19.7	-168.9	-58.2	-29.5	0	0	0	112.6	M62	M62-D66 WeakPolarHBondContact O-CB 3.5Å; M62-D66 PolarHBondContact O-N 3.24Å
67	Y	94.5	Very high	93.4	Very high	84 Å²	84	48.3 Å²	48.3	33%	0.329	27%	0.271	S	S	.	.			trans	-140.7	54.2	-179	-61.8	-86.9	0	0	0	113.4	V63 S69 L70 L94 V98	V63-Y67 CarbonylContact O-C 3.18Å; V63-Y67 WeakPolarHBondContact O-CA 3.34Å; V63-Y67 PolarHBondContact O-N 2.9Å; Y67-S69 PolarHBondContact O-N 2.82Å; Y67-S69 VanDerWaalsContact O-N 3.13Å; Y67-L70 VanDerWaalsContact O-CB 3.22Å; Y67-L70 WeakPolarHBondContact O-CB 3.49Å; Y67-L70 PolarHBondContact O-N 3.25Å; Y67-L94 HydrophobicContact CD2-CD1 3.97Å; Y67-L94 HydrophobicContact CD2-CD2 4.21Å; Y67-L94 HydrophobicContact CD2-CG 4.26Å; Y67-L94 HydrophobicContact CE2-CD1 4.23Å; Y67-L94 HydrophobicContact CE2-CD2 3.85Å; Y67-L94 HydrophobicContact CE2-CG 4Å; Y67-V98 HydrophobicContact CD1-CG1 4.44Å; Y67-V98 HydrophobicContact CD1-CG2 3.89Å; Y67-V98 HydrophobicContact CD2-CG2 3.79Å; Y67-V98 HydrophobicContact CE1-CG1 3.95Å; Y67-V98 HydrophobicContact CE1-CG2 3.79Å; Y67-V98 HydrophobicContact CE2-CG2 3.67Å; Y67-V98 HydrophobicContact CG-CG2 3.9Å
68	P	89.3	Confident	93.4	Very high	70 Å²	70	45.3 Å²	45.3	46%	0.455	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-56.5	-34.1	-175.5	21.4	-33.6	0	0	0	113.9	C64 L70	C64-P68 WeakPolarHBondContact O-CB 3.43Å; P68-L70 VanDerWaalsContact C-N 3.33Å; P68-L70 PolarHBondContact O-N 3Å
69	S	88.5	Confident	93.3	Very high	114 Å²	114	43.9 Å²	43.9	80%	0.797	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-87.3	12.5	179.5	57.8	0	0	0	0	114.7	Y67 G71	Y67-S69 PolarHBondContact O-N 2.82Å; Y67-S69 VanDerWaalsContact O-N 3.13Å; S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 3.04Å
70	L	88.1	Confident	93.3	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.084	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.5	-30	-177.9	-172.5	57.2	0	0	0	113.6	V63 Y67 P68 T72 L97 V98 H101	V63-L70 HydrophobicContact CG1-CD2 4.28Å; Y67-L70 VanDerWaalsContact O-CB 3.22Å; Y67-L70 WeakPolarHBondContact O-CB 3.49Å; Y67-L70 PolarHBondContact O-N 3.25Å; P68-L70 VanDerWaalsContact C-N 3.33Å; P68-L70 PolarHBondContact O-N 3Å; L70-T72 HydrophobicContact CD2-CG2 4.13Å; L70-T72 HydrophobicContact CG-CG2 4.38Å; L70-L97 HydrophobicContact CD2-CD2 4.37Å; L70-L97 HydrophobicContact CD2-CG 4.2Å; L70-V98 HydrophobicContact CD2-CG2 4.24Å; L70-H101 HydrophobicContact CD1-CB 3.76Å
71	G	83.3	Confident	93.4	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	25%	0.247	C	C	.	.			trans	64.5	69	-178.8	0	0	0	0	0	112.8	S69 H101 L302 L304	S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 3.04Å; G71-H101 PolarHBondContact O-CE1 3.44Å; G71-L302 CarbonylContact O-C 3.36Å; G71-L302 VanDerWaalsContact O-O 3.13Å; G71-L304 CarbonylContact C-O 3.39Å; G71-L304 WeakPolarHBondContact CA-O 3.2Å
72	T	87.8	Confident	93.5	Very high	10 Å²	10	40.5 Å²	40.5	6%	0.061	23%	0.226	C	C	.	.			trans	-133.9	147.5	-170.3	-170.5	0	0	0	0	113	V63 L70 L74 F78 H101	V63-T72 HydrophobicContact CG1-CG2 3.76Å; L70-T72 HydrophobicContact CD2-CG2 4.13Å; L70-T72 HydrophobicContact CG-CG2 4.38Å; T72-L74 HydrophobicContact CG2-CD2 3.85Å; T72-L74 HydrophobicContact CG2-CG 4.41Å; T72-L74 PolarHBondContact O-N 3.14Å; T72-F78 WeakPolarHBondContact OG1-CE1 3.28Å; T72-H101 WeakPolarHBondContact CB-NE2 3.4Å; T72-H101 PolarHBondContact OG1-NE2 3.42Å
73	C	88.4	Confident	93.5	Very high	14 Å²	14	38.7 Å²	38.7	10%	0.095	22%	0.217	C	C	.	.			trans	-54.7	135.9	161.4	179.5	0	0	0	0	109.5	F78 L302	C73-F78 HydrophobicContact CB-CB 4.45Å; C73-F78 HydrophobicContact CB-CD1 3.84Å; C73-F78 HydrophobicContact CB-CD2 4.39Å; C73-F78 HydrophobicContact CB-CE1 4.14Å; C73-F78 HydrophobicContact CB-CG 3.98Å; C73-F78 WeakPolarHBondContact O-CD1 3.37Å; C73-F78 WeakPolarHBondContact O-CE1 3.5Å; C73-L302 HydrophobicContact CB-CD2 4.19Å
74	L	90.5	Very high	93.6	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.11	22%	0.217	C	C	.	.			trans	-119.3	19.6	179.8	-68.1	179.1	0	0	0	112	R26 R60 V63 C64 T72 L79	R26-L74 PolarHBondContact NH1-O 2.78Å; R60-L74 HydrophobicContact CG-CB 4.42Å; R60-L74 HydrophobicContact CG-CD1 4.36Å; R60-L74 HydrophobicContact CG-CD2 4.37Å; R60-L74 VanDerWaalsContact CZ-O 3.29Å; R60-L74 PolarHBondContact NE-O 3.11Å; R60-L74 PolarHBondContact NH2-O 2.82Å; V63-L74 HydrophobicContact CB-CD2 4.16Å; V63-L74 HydrophobicContact CG1-CD2 3.82Å; C64-L74 VanDerWaalsContact SG-CD1 3.56Å; T72-L74 HydrophobicContact CG2-CD2 3.85Å; T72-L74 HydrophobicContact CG2-CG 4.41Å; T72-L74 PolarHBondContact O-N 3.14Å; L74-L79 HydrophobicContact CD2-CD2 4.47Å
75	D	92.1	Very high	93.8	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	21%	0.205	S	C	.	.			trans	-75	147.5	180	-66.5	-18.9	0	0	0	111.7	A77 F78 L79	D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 2.94Å; D75-F78 PolarHBondContact O-N 2.83Å; D75-L79 PolarHBondContact O-N 3.08Å
76	D	95.5	Very high	93.9	Very high	34 Å²	34	31.1 Å²	31.1	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-54	-48.1	-175.9	-68.8	-15.2	0	0	0	112	Y29 L53 V56 R60 F78 L79 L80	Y29-D76 VanDerWaalsContact CB-OD2 3.26Å; Y29-D76 WeakPolarHBondContact CB-OD2 3.28Å; Y29-D76 HydrophobicContact CD2-CB 4.21Å; Y29-D76 HydrophobicContact CG-CB 3.97Å; L53-D76 WeakPolarHBondContact CD2-OD2 3.43Å; V56-D76 HydrophobicContact CG1-CB 4.08Å; V56-D76 WeakPolarHBondContact CG1-OD1 3.48Å; R60-D76 IonicContact CZ-OD1 3.51Å; R60-D76 IonicContact NH1-OD1 3.43Å; R60-D76 PolarHBondContact NH1-OD1 3.14Å; R60-D76 IonicContact NH2-OD1 2.67Å; R60-D76 PolarHBondContact NH2-OD1 3.1Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 2.91Å; D76-L79 PolarHBondContact O-N 3.14Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 WeakPolarHBondContact O-CD1 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.39Å; D76-L80 PolarHBondContact O-N 3.08Å
77	A	95.1	Very high	94	Very high	50 Å²	50	32 Å²	32	41%	0.413	18%	0.179	S	C	.	.	H	α-helix	trans	-65.9	-26	-179.4	0	0	0	0	0	113.5	Y29 D75 R81	Y29-A77 HydrophobicContact CD2-CB 4.2Å; Y29-A77 HydrophobicContact CE2-CB 4.45Å; D75-A77 VanDerWaalsContact C-N 3.32Å; D75-A77 PolarHBondContact O-N 2.94Å; A77-R81 WeakPolarHBondContact O-CG 3.33Å
78	F	95.8	Very high	94.1	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-79	-50.2	174.8	177.6	-99.3	0	0	0	110.7	T72 C73 D75 D76 L80 R81 F82 L97 Y100 L302	T72-F78 WeakPolarHBondContact OG1-CE1 3.28Å; C73-F78 HydrophobicContact CB-CB 4.45Å; C73-F78 HydrophobicContact CB-CD1 3.84Å; C73-F78 HydrophobicContact CB-CD2 4.39Å; C73-F78 HydrophobicContact CB-CE1 4.14Å; C73-F78 HydrophobicContact CB-CG 3.98Å; C73-F78 WeakPolarHBondContact O-CD1 3.37Å; C73-F78 WeakPolarHBondContact O-CE1 3.5Å; D75-F78 PolarHBondContact O-N 2.83Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 2.91Å; F78-L80 VanDerWaalsContact C-N 3.29Å; F78-L80 PolarHBondContact O-N 3.08Å; F78-R81 VanDerWaalsContact O-CB 3.27Å; F78-R81 WeakPolarHBondContact O-CB 3.15Å; F78-R81 WeakPolarHBondContact O-CG 3.46Å; F78-R81 PolarHBondContact O-N 2.91Å; F78-R81 VanDerWaalsContact O-N 3.13Å; F78-F82 HydrophobicContact CD1-CE2 4.12Å; F78-F82 HydrophobicContact CD2-CE2 4.41Å; F78-F82 HydrophobicContact CE1-CD2 4.45Å; F78-F82 AromaticContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CZ 4.3Å; F78-F82 AromaticContact CE2-CE2 3.97Å; F78-F82 HydrophobicContact CE2-CE2 3.97Å; F78-F82 HydrophobicContact CE2-CZ 4.39Å; F78-F82 HydrophobicContact CG-CE2 4.48Å; F78-F82 AromaticContact CZ-CE2 3.55Å; F78-F82 HydrophobicContact CZ-CE2 3.55Å; F78-F82 AromaticContact CZ-CZ 3.88Å; F78-F82 HydrophobicContact CZ-CZ 3.88Å; F78-F82 WeakPolarHBondContact O-CD2 3.2Å; F78-L97 HydrophobicContact CE1-CD1 3.68Å; F78-L97 HydrophobicContact CZ-CD1 4.04Å; F78-Y100 HydrophobicContact CZ-CE1 4.27Å; F78-L302 HydrophobicContact CE1-CD2 4.3Å; F78-L302 HydrophobicContact CE2-CD2 4.08Å; F78-L302 HydrophobicContact CZ-CD2 3.64Å
79	L	97.4	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-33.6	179.6	-65.2	-179.8	0	0	0	112.6	V56 L59 R60 L74 D75 D76 R81 F82 L83 L97	V56-L79 HydrophobicContact CG1-CB 4.32Å; V56-L79 HydrophobicContact CG1-CD1 4.28Å; L59-L79 HydrophobicContact CD2-CB 4.31Å; L59-L79 HydrophobicContact CD2-CD2 4.4Å; R60-L79 HydrophobicContact CB-CD1 3.78Å; R60-L79 HydrophobicContact CG-CD1 4.44Å; L74-L79 HydrophobicContact CD2-CD2 4.47Å; D75-L79 PolarHBondContact O-N 3.08Å; D76-L79 PolarHBondContact O-N 3.14Å; L79-R81 PolarHBondContact O-N 3.3Å; L79-F82 PolarHBondContact O-N 3.45Å; L79-F82 VanDerWaalsContact O-N 3.09Å; L79-L83 PolarHBondContact O-N 3.48Å; L79-L97 HydrophobicContact CD2-CD2 4.13Å
80	L	98.3	Very high	95	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-30.2	174.8	-80.4	167.7	0	0	0	113.8	Y29 R52 V56 D76 F78 F82 L83 R84 F88	Y29-L80 HydrophobicContact CD1-CD1 4.35Å; Y29-L80 HydrophobicContact CD2-CD1 4.03Å; Y29-L80 HydrophobicContact CE1-CD1 3.83Å; Y29-L80 HydrophobicContact CE2-CD1 3.48Å; Y29-L80 VanDerWaalsContact CE2-CD1 3.48Å; Y29-L80 HydrophobicContact CG-CD1 4.43Å; R52-L80 HydrophobicContact CG-CD1 4.28Å; R52-L80 HydrophobicContact CG-CD2 3.65Å; V56-L80 HydrophobicContact CG2-CD1 4.31Å; V56-L80 HydrophobicContact CG2-CD2 3.5Å; V56-L80 HydrophobicContact CG2-CG 3.55Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 WeakPolarHBondContact O-CD1 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.39Å; D76-L80 PolarHBondContact O-N 3.08Å; F78-L80 VanDerWaalsContact C-N 3.29Å; F78-L80 PolarHBondContact O-N 3.08Å; L80-F82 PolarHBondContact O-N 3.01Å; L80-L83 HydrophobicContact CD2-CD1 4.35Å; L80-L83 PolarHBondContact O-N 2.69Å; L80-R84 VanDerWaalsContact O-CB 3.29Å; L80-R84 WeakPolarHBondContact O-CB 3.37Å; L80-R84 WeakPolarHBondContact O-CG 3.11Å; L80-R84 PolarHBondContact O-N 3.17Å; L80-F88 HydrophobicContact CD2-CE1 4.28Å; L80-F88 HydrophobicContact CD2-CZ 3.88Å
81	R	98.3	Very high	95.5	Very high	30 Å²	30	31.4 Å²	31.4	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-44.6	174.8	-55.8	173.5	-170.5	-176.7	5.2	110	A77 F78 L79 A85 I171 P215	A77-R81 WeakPolarHBondContact O-CG 3.33Å; F78-R81 VanDerWaalsContact O-CB 3.27Å; F78-R81 WeakPolarHBondContact O-CB 3.15Å; F78-R81 WeakPolarHBondContact O-CG 3.46Å; F78-R81 PolarHBondContact O-N 2.91Å; F78-R81 VanDerWaalsContact O-N 3.13Å; L79-R81 PolarHBondContact O-N 3.3Å; R81-A85 WeakPolarHBondContact O-CB 3.23Å; R81-A85 PolarHBondContact O-N 2.93Å; R81-I171 HydrophobicContact CB-CG1 4.27Å; R81-I171 HydrophobicContact CG-CG1 4.19Å; R81-P215 HydrophobicContact CB-CB 3.98Å; R81-P215 HydrophobicContact CB-CG 3.99Å
82	F	98.7	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73.7	-44.6	-177.2	-61.7	-89.1	0	0	0	112.2	L59 F78 L79 L80 A85 R86 A93 L96 L97 Y100 P215	L59-F82 HydrophobicContact CD2-CB 4.35Å; F78-F82 HydrophobicContact CD1-CE2 4.12Å; F78-F82 HydrophobicContact CD2-CE2 4.41Å; F78-F82 HydrophobicContact CE1-CD2 4.45Å; F78-F82 AromaticContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CE2 3.64Å; F78-F82 HydrophobicContact CE1-CZ 4.3Å; F78-F82 AromaticContact CE2-CE2 3.97Å; F78-F82 HydrophobicContact CE2-CE2 3.97Å; F78-F82 HydrophobicContact CE2-CZ 4.39Å; F78-F82 HydrophobicContact CG-CE2 4.48Å; F78-F82 AromaticContact CZ-CE2 3.55Å; F78-F82 HydrophobicContact CZ-CE2 3.55Å; F78-F82 AromaticContact CZ-CZ 3.88Å; F78-F82 HydrophobicContact CZ-CZ 3.88Å; F78-F82 WeakPolarHBondContact O-CD2 3.2Å; L79-F82 PolarHBondContact O-N 3.45Å; L79-F82 VanDerWaalsContact O-N 3.09Å; L80-F82 PolarHBondContact O-N 3.01Å; F82-A85 PolarHBondContact O-N 2.97Å; F82-R86 PolarHBondContact O-N 2.82Å; F82-R86 VanDerWaalsContact O-N 3.15Å; F82-A93 HydrophobicContact CB-CB 4.35Å; F82-L96 HydrophobicContact CD1-CB 4.25Å; F82-L96 HydrophobicContact CD1-CD2 3.96Å; F82-L96 HydrophobicContact CD1-CG 3.75Å; F82-L96 HydrophobicContact CE1-CG 4.23Å; F82-L97 HydrophobicContact CD1-CB 3.74Å; F82-L97 HydrophobicContact CD1-CD1 4.2Å; F82-L97 HydrophobicContact CD2-CD1 4.08Å; F82-L97 HydrophobicContact CE1-CB 3.98Å; F82-L97 HydrophobicContact CE1-CD1 3.8Å; F82-L97 HydrophobicContact CE2-CD1 3.67Å; F82-L97 HydrophobicContact CG-CB 4.15Å; F82-L97 HydrophobicContact CG-CD1 4.35Å; F82-L97 HydrophobicContact CZ-CD1 3.52Å; F82-Y100 HydrophobicContact CE1-CG 4.13Å; F82-Y100 HydrophobicContact CZ-CD1 4.18Å; F82-Y100 HydrophobicContact CZ-CD2 4.37Å; F82-Y100 HydrophobicContact CZ-CG 4.06Å; F82-P215 HydrophobicContact CD1-CB 4.17Å; F82-P215 HydrophobicContact CD1-CG 4.4Å; F82-P215 HydrophobicContact CE1-CB 4.2Å; F82-P215 HydrophobicContact CE1-CG 3.95Å; F82-P215 HydrophobicContact CE2-CG 4.34Å; F82-P215 HydrophobicContact CG-CB 4.46Å; F82-P215 HydrophobicContact CZ-CG 3.91Å
83	L	98.8	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-50.7	174.6	-71	170.1	0	0	0	111.4	V56 L59 L79 L80 A85 R86 K87 F88 Y90 A93	V56-L83 HydrophobicContact CB-CD1 4.43Å; V56-L83 HydrophobicContact CG2-CD1 3.71Å; L59-L83 HydrophobicContact CB-CD2 4.32Å; L59-L83 HydrophobicContact CD2-CD1 4.36Å; L59-L83 HydrophobicContact CD2-CD2 3.98Å; L59-L83 HydrophobicContact CD2-CG 3.77Å; L79-L83 PolarHBondContact O-N 3.48Å; L80-L83 HydrophobicContact CD2-CD1 4.35Å; L80-L83 PolarHBondContact O-N 2.69Å; L83-A85 PolarHBondContact O-N 3.41Å; L83-R86 CarbonylContact O-C 3.13Å; L83-R86 PolarHBondContact O-N 3.48Å; L83-K87 PolarHBondContact O-N 3.03Å; L83-F88 HydrophobicContact CB-CD1 4.1Å; L83-F88 HydrophobicContact CB-CD2 4.24Å; L83-F88 HydrophobicContact CB-CE1 3.99Å; L83-F88 HydrophobicContact CB-CE2 4.12Å; L83-F88 HydrophobicContact CB-CG 4.22Å; L83-F88 HydrophobicContact CB-CZ 3.98Å; L83-F88 HydrophobicContact CD1-CD1 4.26Å; L83-F88 HydrophobicContact CD1-CE1 3.96Å; L83-F88 HydrophobicContact CD2-CD1 4.38Å; L83-F88 HydrophobicContact CG-CD1 4.49Å; L83-F88 HydrophobicContact CG-CE1 4.48Å; L83-F88 PolarHBondContact O-N 3.3Å; L83-Y90 HydrophobicContact CD2-CD1 3.84Å; L83-Y90 HydrophobicContact CD2-CE1 4.27Å; L83-A93 HydrophobicContact CD2-CB 3.97Å
84	R	98.7	Very high	97.2	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-42.3	178.1	-73.7	170	170.9	165.8	-3.7	112.4	Y29 L45 E47 L80 R86 K87 F88 E174 Q177	Y29-R84 PolarHBondContact OH-NH2 2.82Å; L45-R84 HydrophobicContact CD1-CB 3.95Å; L45-R84 HydrophobicContact CD1-CG 4Å; E47-R84 IonicContact OE1-CZ 2.77Å; E47-R84 IonicContact OE1-NE 3.54Å; E47-R84 IonicContact OE1-NH2 2.75Å; E47-R84 PolarHBondContact OE1-NH2 2.98Å; E47-R84 WeakPolarHBondContact OE2-CG 3.15Å; E47-R84 IonicContact OE2-CZ 2.73Å; E47-R84 IonicContact OE2-NE 3.18Å; E47-R84 PolarHBondContact OE2-NE 2.88Å; E47-R84 IonicContact OE2-NH2 3.17Å; L80-R84 VanDerWaalsContact O-CB 3.29Å; L80-R84 WeakPolarHBondContact O-CB 3.37Å; L80-R84 WeakPolarHBondContact O-CG 3.11Å; L80-R84 PolarHBondContact O-N 3.17Å; R84-R86 PolarHBondContact O-N 3.18Å; R84-R86 VanDerWaalsContact O-N 3.15Å; R84-K87 PolarHBondContact O-N 2.84Å; R84-F88 HydrophobicContact CG-CE2 3.84Å; R84-F88 HydrophobicContact CG-CZ 4.35Å; R84-E174 IonicContact CZ-OE2 2.73Å; R84-E174 IonicContact NH1-OE2 3.59Å; R84-E174 PolarHBondContact NH1-OE2 3.39Å; R84-E174 IonicContact NH2-OE2 3.57Å; R84-E174 PolarHBondContact NH2-OE2 3.04Å; R84-Q177 HydrophobicContact CB-CB 4.3Å; R84-Q177 VanDerWaalsContact CD-OE1 3.25Å
85	A	98.2	Very high	97.6	Very high	12 Å²	12	40.7 Å²	40.7	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-16.3	175.3	0	0	0	0	0	114.1	R81 F82 L83 L96 P215	R81-A85 WeakPolarHBondContact O-CB 3.23Å; R81-A85 PolarHBondContact O-N 2.93Å; F82-A85 PolarHBondContact O-N 2.97Å; L83-A85 PolarHBondContact O-N 3.41Å; A85-L96 HydrophobicContact CB-CD2 3.69Å; A85-P215 HydrophobicContact CB-CB 3.85Å; A85-P215 WeakPolarHBondContact CB-O 3.35Å
86	R	98.2	Very high	97.9	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-122.2	12.1	-179.5	-65	-63.2	-175.3	-104.9	14.7	114.9	F82 L83 R84 F88 D89 R92 A93 L96 Q211 D212	F82-R86 PolarHBondContact O-N 2.82Å; F82-R86 VanDerWaalsContact O-N 3.15Å; L83-R86 CarbonylContact O-C 3.13Å; L83-R86 PolarHBondContact O-N 3.48Å; R84-R86 PolarHBondContact O-N 3.18Å; R84-R86 VanDerWaalsContact O-N 3.15Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-D89 VanDerWaalsContact O-CB 3.31Å; R86-D89 WeakPolarHBondContact O-CB 3.08Å; R86-D89 PolarHBondContact O-N 3.03Å; R86-R92 HydrophobicContact CB-CB 4.11Å; R86-R92 HydrophobicContact CG-CB 4.09Å; R86-R92 WeakPolarHBondContact CG-O 3.47Å; R86-A93 HydrophobicContact CB-CB 4.22Å; R86-L96 HydrophobicContact CG-CB 4.28Å; R86-L96 HydrophobicContact CG-CD2 3.79Å; R86-Q211 PolarHBondContact NH2-O 2.66Å; R86-D212 IonicContact NH2-OD1 3.95Å; R86-D212 PolarHBondContact NH2-OD1 2.79Å
87	K	98	Very high	98	Very high	92 Å²	92	36.1 Å²	36.1	40%	0.4	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	41.1	179.6	-50.8	-172.9	167.8	-138.9	0	113.6	E44 L45 L83 R84 D89	E44-K87 WeakPolarHBondContact O-CD 3.42Å; E44-K87 WeakPolarHBondContact O-CE 3.4Å; E44-K87 PolarHBondContact O-NZ 2.74Å; L45-K87 CarbonylContact O-C 3.59Å; L45-K87 WeakPolarHBondContact O-CA 3.44Å; L83-K87 PolarHBondContact O-N 3.03Å; R84-K87 PolarHBondContact O-N 2.84Å; K87-D89 PolarHBondContact O-N 2.68Å; K87-D89 VanDerWaalsContact O-N 3.08Å
88	F	98.2	Very high	98.1	Very high	18 Å²	18	34.4 Å²	34.4	8%	0.079	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	21.1	-179.3	-71.8	-108.6	0	0	0	114.2	L45 E47 D55 L80 L83 R84 R86 Y90	L45-F88 WeakPolarHBondContact O-CD2 3.41Å; E47-F88 HydrophobicContact CB-CD2 3.98Å; E47-F88 HydrophobicContact CB-CE2 3.47Å; E47-F88 VanDerWaalsContact CB-CE2 3.47Å; E47-F88 HydrophobicContact CB-CZ 3.9Å; E47-F88 HydrophobicContact CG-CE1 4.31Å; E47-F88 HydrophobicContact CG-CE2 3.62Å; E47-F88 HydrophobicContact CG-CZ 3.51Å; D55-F88 HydrophobicContact CB-CD1 4Å; D55-F88 HydrophobicContact CB-CE1 4.26Å; L80-F88 HydrophobicContact CD2-CE1 4.28Å; L80-F88 HydrophobicContact CD2-CZ 3.88Å; L83-F88 HydrophobicContact CB-CD1 4.1Å; L83-F88 HydrophobicContact CB-CD2 4.24Å; L83-F88 HydrophobicContact CB-CE1 3.99Å; L83-F88 HydrophobicContact CB-CE2 4.12Å; L83-F88 HydrophobicContact CB-CG 4.22Å; L83-F88 HydrophobicContact CB-CZ 3.98Å; L83-F88 HydrophobicContact CD1-CD1 4.26Å; L83-F88 HydrophobicContact CD1-CE1 3.96Å; L83-F88 HydrophobicContact CD2-CD1 4.38Å; L83-F88 HydrophobicContact CG-CD1 4.49Å; L83-F88 HydrophobicContact CG-CE1 4.48Å; L83-F88 PolarHBondContact O-N 3.3Å; R84-F88 HydrophobicContact CG-CE2 3.84Å; R84-F88 HydrophobicContact CG-CZ 4.35Å; R86-F88 VanDerWaalsContact C-N 3.34Å; F88-Y90 WeakPolarHBondContact O-CD1 3.49Å; F88-Y90 WeakPolarHBondContact O-CE1 3.49Å; F88-Y90 PolarHBondContact O-N 2.77Å
89	D	98.4	Very high	98.2	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.332	16%	0.164	S	C	.	.			trans	-77.8	109.2	163.3	-178	-47.4	0	0	0	108.6	R86 K87 R92 A93	R86-D89 VanDerWaalsContact O-CB 3.31Å; R86-D89 WeakPolarHBondContact O-CB 3.08Å; R86-D89 PolarHBondContact O-N 3.03Å; K87-D89 PolarHBondContact O-N 2.68Å; K87-D89 VanDerWaalsContact O-N 3.08Å; D89-R92 HydrophobicContact CB-CB 4.22Å; D89-R92 HydrophobicContact CB-CG 4.46Å; D89-R92 VanDerWaalsContact OD1-CB 3.32Å; D89-R92 WeakPolarHBondContact OD1-CB 3.31Å; D89-R92 WeakPolarHBondContact OD1-CD 3.47Å; D89-R92 WeakPolarHBondContact OD1-CG 3.42Å; D89-R92 PolarHBondContact OD1-N 2.96Å; D89-R92 VanDerWaalsContact OD1-N 3.08Å; D89-R92 WeakPolarHBondContact OD2-CD 3.39Å; D89-A93 VanDerWaalsContact O-CB 3.3Å; D89-A93 WeakPolarHBondContact O-CB 3.47Å; D89-A93 PolarHBondContact O-N 3.47Å
90	Y	98.1	Very high	98.2	Very high	73 Å²	73	36 Å²	36	29%	0.286	17%	0.165	S	C	.	.	H	α-helix	trans	-68.8	-45.9	-167.6	-54.4	-21.7	0	0	0	112.6	D55 A58 L83 F88 R92 A93 L94	D55-Y90 HydrophobicContact CB-CE1 4.04Å; D55-Y90 PolarHBondContact OD1-OH 2.91Å; A58-Y90 HydrophobicContact CB-CE2 4.29Å; L83-Y90 HydrophobicContact CD2-CD1 3.84Å; L83-Y90 HydrophobicContact CD2-CE1 4.27Å; F88-Y90 WeakPolarHBondContact O-CD1 3.49Å; F88-Y90 WeakPolarHBondContact O-CE1 3.49Å; F88-Y90 PolarHBondContact O-N 2.77Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 3.27Å; Y90-A93 PolarHBondContact O-N 2.87Å; Y90-A93 VanDerWaalsContact O-N 3.15Å; Y90-L94 WeakPolarHBondContact O-CB 3.18Å; Y90-L94 PolarHBondContact O-N 2.83Å
91	D	98.3	Very high	98	Very high	118 Å²	118	36.2 Å²	36.2	63%	0.631	17%	0.166	S	C	*	.	H	α-helix	trans	-60.3	-41.4	179	-62.1	-34.1	0	0	0	110.8	M62 Q95	M62-D91 WeakPolarHBondContact CE-OD1 3.38Å; D91-Q95 WeakPolarHBondContact O-CB 3.3Å; D91-Q95 PolarHBondContact O-N 2.8Å
92	R	98.4	Very high	97.8	Very high	146 Å²	146	37.5 Å²	37.5	55%	0.551	18%	0.177	S	C	*	.	H	α-helix	trans	-73.2	-32.1	177.6	-64.7	173.8	77.9	167.6	5.3	112.9	R86 D89 Y90 L96	R86-R92 HydrophobicContact CB-CB 4.11Å; R86-R92 HydrophobicContact CG-CB 4.09Å; R86-R92 WeakPolarHBondContact CG-O 3.47Å; D89-R92 HydrophobicContact CB-CB 4.22Å; D89-R92 HydrophobicContact CB-CG 4.46Å; D89-R92 VanDerWaalsContact OD1-CB 3.32Å; D89-R92 WeakPolarHBondContact OD1-CB 3.31Å; D89-R92 WeakPolarHBondContact OD1-CD 3.47Å; D89-R92 WeakPolarHBondContact OD1-CG 3.42Å; D89-R92 PolarHBondContact OD1-N 2.96Å; D89-R92 VanDerWaalsContact OD1-N 3.08Å; D89-R92 WeakPolarHBondContact OD2-CD 3.39Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 3.27Å; R92-L96 VanDerWaalsContact O-CB 3.31Å; R92-L96 WeakPolarHBondContact O-CB 3.31Å; R92-L96 PolarHBondContact O-N 2.92Å
93	A	98.6	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-44.8	174.1	0	0	0	0	0	111	L59 F82 L83 R86 D89 Y90 L96 L97	L59-A93 HydrophobicContact CD1-CB 4.31Å; L59-A93 HydrophobicContact CD2-CB 4.06Å; F82-A93 HydrophobicContact CB-CB 4.35Å; L83-A93 HydrophobicContact CD2-CB 3.97Å; R86-A93 HydrophobicContact CB-CB 4.22Å; D89-A93 VanDerWaalsContact O-CB 3.3Å; D89-A93 WeakPolarHBondContact O-CB 3.47Å; D89-A93 PolarHBondContact O-N 3.47Å; Y90-A93 PolarHBondContact O-N 2.87Å; Y90-A93 VanDerWaalsContact O-N 3.15Å; A93-L96 PolarHBondContact O-N 2.68Å; A93-L97 PolarHBondContact O-N 2.85Å
94	L	98.4	Very high	97.2	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-50.4	173.2	-178.9	64	0	0	0	111.1	L59 M62 V63 Y67 Y90 L96 L97 V98	L59-L94 HydrophobicContact CD1-CB 3.89Å; L59-L94 HydrophobicContact CD1-CD1 4.32Å; M62-L94 HydrophobicContact CB-CD2 4.15Å; M62-L94 HydrophobicContact CE-CD2 4.04Å; V63-L94 HydrophobicContact CB-CD1 4.39Å; V63-L94 HydrophobicContact CG2-CD1 3.49Å; V63-L94 VanDerWaalsContact CG2-CD1 3.49Å; Y67-L94 HydrophobicContact CD2-CD1 3.97Å; Y67-L94 HydrophobicContact CD2-CD2 4.21Å; Y67-L94 HydrophobicContact CD2-CG 4.26Å; Y67-L94 HydrophobicContact CE2-CD1 4.23Å; Y67-L94 HydrophobicContact CE2-CD2 3.85Å; Y67-L94 HydrophobicContact CE2-CG 4Å; Y90-L94 WeakPolarHBondContact O-CB 3.18Å; Y90-L94 PolarHBondContact O-N 2.83Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 2.81Å; L94-L97 WeakPolarHBondContact O-CB 3.26Å; L94-L97 PolarHBondContact O-N 2.95Å; L94-L97 VanDerWaalsContact O-N 3.08Å; L94-V98 HydrophobicContact CD1-CG2 4.44Å; L94-V98 WeakPolarHBondContact O-CG2 3.17Å; L94-V98 PolarHBondContact O-N 3.1Å
95	Q	98.4	Very high	96.8	Very high	89 Å²	89	48 Å²	48	42%	0.416	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-36.2	178.7	-172.9	62.6	74	0	0	112.4	D91 N99	D91-Q95 WeakPolarHBondContact O-CB 3.3Å; D91-Q95 PolarHBondContact O-N 2.8Å; Q95-N99 PolarHBondContact NE2-OD1 3.43Å; Q95-N99 VanDerWaalsContact O-CB 3.25Å; Q95-N99 WeakPolarHBondContact O-CB 3.33Å; Q95-N99 PolarHBondContact O-N 2.81Å; Q95-N99 PolarHBondContact O-ND2 2.9Å; Q95-N99 PolarHBondContact O-OD1 3.42Å
96	L	98.5	Very high	96.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-39.7	174.4	176.6	63.3	0	0	0	112.1	F82 A85 R86 R92 A93 L94 N99 Y100 D212 P215	F82-L96 HydrophobicContact CD1-CB 4.25Å; F82-L96 HydrophobicContact CD1-CD2 3.96Å; F82-L96 HydrophobicContact CD1-CG 3.75Å; F82-L96 HydrophobicContact CE1-CG 4.23Å; A85-L96 HydrophobicContact CB-CD2 3.69Å; R86-L96 HydrophobicContact CG-CB 4.28Å; R86-L96 HydrophobicContact CG-CD2 3.79Å; R92-L96 VanDerWaalsContact O-CB 3.31Å; R92-L96 WeakPolarHBondContact O-CB 3.31Å; R92-L96 PolarHBondContact O-N 2.92Å; A93-L96 PolarHBondContact O-N 2.68Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 2.81Å; L96-N99 PolarHBondContact O-N 2.98Å; L96-Y100 WeakPolarHBondContact O-CB 3.49Å; L96-Y100 PolarHBondContact O-N 2.8Å; L96-D212 VanDerWaalsContact CD1-C 3.45Å; L96-D212 WeakPolarHBondContact CD1-O 3.24Å; L96-P215 HydrophobicContact CD2-CB 4.14Å
97	L	97.9	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-45.6	175.8	177.7	65.9	0	0	0	111.7	V63 L70 F78 L79 F82 A93 L94 N99 Y100 H101	V63-L97 HydrophobicContact CG1-CD2 4.48Å; V63-L97 HydrophobicContact CG2-CD2 3.43Å; V63-L97 VanDerWaalsContact CG2-CD2 3.43Å; L70-L97 HydrophobicContact CD2-CD2 4.37Å; L70-L97 HydrophobicContact CD2-CG 4.2Å; F78-L97 HydrophobicContact CE1-CD1 3.68Å; F78-L97 HydrophobicContact CZ-CD1 4.04Å; L79-L97 HydrophobicContact CD2-CD2 4.13Å; F82-L97 HydrophobicContact CD1-CB 3.74Å; F82-L97 HydrophobicContact CD1-CD1 4.2Å; F82-L97 HydrophobicContact CD2-CD1 4.08Å; F82-L97 HydrophobicContact CE1-CB 3.98Å; F82-L97 HydrophobicContact CE1-CD1 3.8Å; F82-L97 HydrophobicContact CE2-CD1 3.67Å; F82-L97 HydrophobicContact CG-CB 4.15Å; F82-L97 HydrophobicContact CG-CD1 4.35Å; F82-L97 HydrophobicContact CZ-CD1 3.52Å; A93-L97 PolarHBondContact O-N 2.85Å; L94-L97 WeakPolarHBondContact O-CB 3.26Å; L94-L97 PolarHBondContact O-N 2.95Å; L94-L97 VanDerWaalsContact O-N 3.08Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 2.65Å; L97-Y100 WeakPolarHBondContact O-CB 3.05Å; L97-Y100 PolarHBondContact O-N 3.46Å; L97-H101 PolarHBondContact O-CD2 3.48Å; L97-H101 PolarHBondContact O-N 3.04Å
98	V	97.3	Very high	96.1	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-41.9	174.9	173.6	0	0	0	0	110.9	Y67 L70 L94 T102	Y67-V98 HydrophobicContact CD1-CG1 4.44Å; Y67-V98 HydrophobicContact CD1-CG2 3.89Å; Y67-V98 HydrophobicContact CD2-CG2 3.79Å; Y67-V98 HydrophobicContact CE1-CG1 3.95Å; Y67-V98 HydrophobicContact CE1-CG2 3.79Å; Y67-V98 HydrophobicContact CE2-CG2 3.67Å; Y67-V98 HydrophobicContact CG-CG2 3.9Å; L70-V98 HydrophobicContact CD2-CG2 4.24Å; L94-V98 HydrophobicContact CD1-CG2 4.44Å; L94-V98 WeakPolarHBondContact O-CG2 3.17Å; L94-V98 PolarHBondContact O-N 3.1Å; V98-T102 VanDerWaalsContact O-CB 3.31Å; V98-T102 WeakPolarHBondContact O-CB 3.44Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 PolarHBondContact O-OG1 2.72Å
99	N	97.2	Very high	95.9	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-40.4	176.3	-72.7	-6.2	0	0	0	112.5	Q95 L96 L97 H101 T102 C103 D212	Q95-N99 PolarHBondContact NE2-OD1 3.43Å; Q95-N99 VanDerWaalsContact O-CB 3.25Å; Q95-N99 WeakPolarHBondContact O-CB 3.33Å; Q95-N99 PolarHBondContact O-N 2.81Å; Q95-N99 PolarHBondContact O-ND2 2.9Å; Q95-N99 PolarHBondContact O-OD1 3.42Å; L96-N99 PolarHBondContact O-N 2.98Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 2.65Å; N99-H101 VanDerWaalsContact C-N 3.32Å; N99-H101 PolarHBondContact O-N 3.07Å; N99-T102 PolarHBondContact O-N 2.74Å; N99-T102 VanDerWaalsContact O-N 3.15Å; N99-C103 WeakPolarHBondContact O-CB 3.32Å; N99-C103 PolarHBondContact O-N 2.9Å; N99-C103 PolarHBondContact O-SG 3.12Å; N99-C103 VanDerWaalsContact O-SG 3.32Å; N99-D212 WeakPolarHBondContact CB-O 3.34Å; N99-D212 PolarHBondContact ND2-O 2.87Å
100	Y	96.6	Very high	95.7	Very high	4 Å²	4	49 Å²	49	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-55.1	-48.5	176.9	168.3	-91	0	0	0	111.2	F78 F82 L96 L97 R104 Y164 E168 G213 F214 L302	F78-Y100 HydrophobicContact CZ-CE1 4.27Å; F82-Y100 HydrophobicContact CE1-CG 4.13Å; F82-Y100 HydrophobicContact CZ-CD1 4.18Å; F82-Y100 HydrophobicContact CZ-CD2 4.37Å; F82-Y100 HydrophobicContact CZ-CG 4.06Å; L96-Y100 WeakPolarHBondContact O-CB 3.49Å; L96-Y100 PolarHBondContact O-N 2.8Å; L97-Y100 WeakPolarHBondContact O-CB 3.05Å; L97-Y100 PolarHBondContact O-N 3.46Å; Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.14Å; Y100-R104 PolarHBondContact OH-NH1 3.03Å; Y100-Y164 WeakPolarHBondContact CE2-OH 3.42Å; Y100-E168 VanDerWaalsContact CE2-OE1 3.31Å; Y100-E168 WeakPolarHBondContact CE2-OE1 3.4Å; Y100-E168 PolarHBondContact OH-OE1 3.36Å; Y100-G213 VanDerWaalsContact CA-O 3.31Å; Y100-G213 WeakPolarHBondContact CA-O 3.5Å; Y100-F214 HydrophobicContact CD2-CD2 4.18Å; Y100-F214 HydrophobicContact CE2-CD2 4.06Å; Y100-F214 HydrophobicContact CE2-CE2 4.01Å; Y100-L302 HydrophobicContact CE1-CD1 3.96Å; Y100-L302 HydrophobicContact CE1-CD2 4.44Å; Y100-L302 WeakPolarHBondContact OH-CD1 3.21Å
101	H	94.2	Very high	95.5	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-39	173.7	-77.6	-72.1	0	0	0	113.8	L70 G71 T72 L97 N99 R104 R105	L70-H101 HydrophobicContact CD1-CB 3.76Å; G71-H101 PolarHBondContact O-CE1 3.44Å; T72-H101 WeakPolarHBondContact CB-NE2 3.4Å; T72-H101 PolarHBondContact OG1-NE2 3.42Å; L97-H101 PolarHBondContact O-CD2 3.48Å; L97-H101 PolarHBondContact O-N 3.04Å; N99-H101 VanDerWaalsContact C-N 3.32Å; N99-H101 PolarHBondContact O-N 3.07Å; H101-R104 PolarHBondContact O-N 2.98Å; H101-R105 PolarHBondContact O-N 3.27Å
102	T	93.8	Very high	95.2	Very high	56 Å²	56	46.4 Å²	46.4	34%	0.344	23%	0.227	S	C	.	.	H	α-helix	trans	-68.9	-38.4	-179.9	-58.4	0	0	0	0	111.8	V98 N99 R104 R105 S106	V98-T102 VanDerWaalsContact O-CB 3.31Å; V98-T102 WeakPolarHBondContact O-CB 3.44Å; V98-T102 PolarHBondContact O-N 3.4Å; V98-T102 PolarHBondContact O-OG1 2.72Å; N99-T102 PolarHBondContact O-N 2.74Å; N99-T102 VanDerWaalsContact O-N 3.15Å; T102-R104 VanDerWaalsContact C-N 3.34Å; T102-R105 PolarHBondContact O-N 3.35Å; T102-S106 VanDerWaalsContact O-CB 3.27Å; T102-S106 WeakPolarHBondContact O-CB 3.29Å; T102-S106 PolarHBondContact O-N 2.86Å; T102-S106 PolarHBondContact O-OG 3.27Å
103	C	92.7	Very high	94.8	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.203	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-40	172.6	-72.5	0	0	0	0	111.5	N99 W107 F111 I209	N99-C103 WeakPolarHBondContact O-CB 3.32Å; N99-C103 PolarHBondContact O-N 2.9Å; N99-C103 PolarHBondContact O-SG 3.12Å; N99-C103 VanDerWaalsContact O-SG 3.32Å; C103-W107 PolarHBondContact O-N 3.04Å; C103-F111 WeakPolarHBondContact O-CE2 3.46Å; C103-I209 HydrophobicContact CB-CG1 4Å
104	R	92	Very high	94.7	Very high	35 Å²	35	45.1 Å²	45.1	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-53.1	174.4	-72.7	165.6	62.5	117	2.6	111.7	Y100 H101 T102 S106 W107 F111 E168 F299	Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.14Å; Y100-R104 PolarHBondContact OH-NH1 3.03Å; H101-R104 PolarHBondContact O-N 2.98Å; T102-R104 VanDerWaalsContact C-N 3.34Å; R104-S106 VanDerWaalsContact C-N 3.33Å; R104-S106 PolarHBondContact O-N 3.24Å; R104-W107 PolarHBondContact O-N 3.34Å; R104-F111 VanDerWaalsContact CA-CD2 3.44Å; R104-F111 HydrophobicContact CB-CB 4.48Å; R104-F111 HydrophobicContact CB-CD1 4.42Å; R104-F111 HydrophobicContact CB-CD2 4.36Å; R104-F111 HydrophobicContact CB-CG 4.16Å; R104-F111 HydrophobicContact CG-CD1 3.84Å; R104-F111 HydrophobicContact CG-CD2 4.46Å; R104-F111 HydrophobicContact CG-CE1 4.03Å; R104-F111 HydrophobicContact CG-CG 4.09Å; R104-F111 HydrophobicContact CG-CZ 4.39Å; R104-F111 WeakPolarHBondContact O-CD2 3.29Å; R104-E168 IonicContact NH1-OE1 2.76Å; R104-F299 VanDerWaalsContact NH1-CE1 3.34Å
105	R	91.2	Very high	94.5	Very high	156 Å²	156	46.7 Å²	46.7	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-64.4	-30.2	179.8	-73.5	-177.1	-85.8	115.1	-4.6	114.2	H101 T102	H101-R105 PolarHBondContact O-N 3.27Å; T102-R105 PolarHBondContact O-N 3.35Å
106	S	92.2	Very high	94.5	Very high	69 Å²	69	42.5 Å²	42.5	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.8	-177.1	61.6	0	0	0	0	115.2	T102 R104 K205	T102-S106 VanDerWaalsContact O-CB 3.27Å; T102-S106 WeakPolarHBondContact O-CB 3.29Å; T102-S106 PolarHBondContact O-N 2.86Å; T102-S106 PolarHBondContact O-OG 3.27Å; R104-S106 VanDerWaalsContact C-N 3.33Å; R104-S106 PolarHBondContact O-N 3.24Å; S106-K205 PolarHBondContact O-NZ 3.01Å
107	W	94.3	Very high	94.4	Very high	9 Å²	9	44.8 Å²	44.8	3%	0.034	23%	0.234	C	C	.	.			trans	-146.1	61.9	175.7	-155.4	-1.4	0	0	0	112.7	C103 R104 E109 V110 F111 T157 I160 V202 K205 V206 I209	C103-W107 PolarHBondContact O-N 3.04Å; R104-W107 PolarHBondContact O-N 3.34Å; W107-E109 VanDerWaalsContact CD1-OE2 3.3Å; W107-E109 PolarHBondContact O-N 3.44Å; W107-E109 VanDerWaalsContact O-N 3.09Å; W107-V110 HydrophobicContact CD2-CB 4.07Å; W107-V110 HydrophobicContact CD2-CG2 3.54Å; W107-V110 VanDerWaalsContact CE2-CG2 3.48Å; W107-V110 HydrophobicContact CE3-CB 4.41Å; W107-V110 HydrophobicContact CE3-CG2 3.96Å; W107-V110 HydrophobicContact CG-CB 4.1Å; W107-V110 HydrophobicContact CG-CG2 3.95Å; W107-V110 HydrophobicContact CH2-CG2 4.36Å; W107-V110 HydrophobicContact CZ2-CG2 3.94Å; W107-V110 HydrophobicContact CZ3-CG2 4.34Å; W107-V110 PolarHBondContact O-N 3.16Å; W107-F111 HydrophobicContact CB-CD2 3.91Å; W107-F111 HydrophobicContact CB-CE2 3.95Å; W107-F111 HydrophobicContact CE3-CE2 4.46Å; W107-F111 VanDerWaalsContact O-CD2 3.23Å; W107-F111 WeakPolarHBondContact O-CD2 3.3Å; W107-F111 PolarHBondContact O-N 2.93Å; W107-T157 HydrophobicContact CZ2-CG2 4.26Å; W107-I160 HydrophobicContact CH2-CD1 3.69Å; W107-I160 HydrophobicContact CH2-CG2 4.28Å; W107-I160 HydrophobicContact CZ2-CD1 4.03Å; W107-I160 HydrophobicContact CZ3-CG2 4.19Å; W107-V202 HydrophobicContact CH2-CG1 4.16Å; W107-V202 HydrophobicContact CZ2-CG1 4.32Å; W107-K205 HydrophobicContact CB-CD 4.38Å; W107-K205 HydrophobicContact CD2-CB 4.4Å; W107-K205 HydrophobicContact CD2-CD 3.41Å; W107-K205 VanDerWaalsContact CD2-CD 3.41Å; W107-K205 HydrophobicContact CE3-CB 3.77Å; W107-K205 HydrophobicContact CE3-CD 3.6Å; W107-K205 HydrophobicContact CE3-CG 4.33Å; W107-K205 HydrophobicContact CG-CD 3.8Å; W107-K205 VanDerWaalsContact CG-NZ 3.34Å; W107-K205 HydrophobicContact CH2-CB 3.64Å; W107-K205 HydrophobicContact CH2-CD 4.15Å; W107-K205 HydrophobicContact CZ2-CB 4.32Å; W107-K205 HydrophobicContact CZ2-CD 4.04Å; W107-K205 HydrophobicContact CZ3-CB 3.36Å; W107-K205 HydrophobicContact CZ3-CD 3.98Å; W107-K205 HydrophobicContact CZ3-CG 4.33Å; W107-V206 HydrophobicContact CH2-CG2 3.91Å; W107-V206 HydrophobicContact CZ3-CG2 4.2Å; W107-I209 HydrophobicContact CE3-CD1 3.91Å; W107-I209 HydrophobicContact CZ3-CD1 3.9Å
108	P	93.4	Very high	94.3	Very high	57 Å²	57	46.6 Å²	46.6	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-56.1	-28.8	-176.9	23.7	-34.5	0	0	0	113.7	V110 F111 N112	P108-V110 PolarHBondContact O-N 3.15Å; P108-F111 PolarHBondContact O-N 2.81Å; P108-N112 VanDerWaalsContact O-CB 3.31Å; P108-N112 WeakPolarHBondContact O-CB 3.34Å; P108-N112 PolarHBondContact O-N 3.24Å
109	E	93.4	Very high	94.3	Very high	109 Å²	109	46.1 Å²	46.1	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-21.4	174.8	-49.2	97	116.1	0	0	113.4	W107 T157	W107-E109 VanDerWaalsContact CD1-OE2 3.3Å; W107-E109 PolarHBondContact O-N 3.44Å; W107-E109 VanDerWaalsContact O-N 3.09Å; E109-T157 HydrophobicContact CB-CG2 4.25Å
110	V	94.8	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-98.5	-38.2	171	172.2	0	0	0	0	110.8	W107 P108 T157 I160 R161	W107-V110 HydrophobicContact CD2-CB 4.07Å; W107-V110 HydrophobicContact CD2-CG2 3.54Å; W107-V110 VanDerWaalsContact CE2-CG2 3.48Å; W107-V110 HydrophobicContact CE3-CB 4.41Å; W107-V110 HydrophobicContact CE3-CG2 3.96Å; W107-V110 HydrophobicContact CG-CB 4.1Å; W107-V110 HydrophobicContact CG-CG2 3.95Å; W107-V110 HydrophobicContact CH2-CG2 4.36Å; W107-V110 HydrophobicContact CZ2-CG2 3.94Å; W107-V110 HydrophobicContact CZ3-CG2 4.34Å; W107-V110 PolarHBondContact O-N 3.16Å; P108-V110 PolarHBondContact O-N 3.15Å; V110-T157 HydrophobicContact CG2-CG2 3.87Å; V110-I160 HydrophobicContact CG1-CG2 4.03Å; V110-I160 HydrophobicContact CG2-CB 4.36Å; V110-I160 HydrophobicContact CG2-CG2 4.02Å; V110-R161 HydrophobicContact CB-CG 4.33Å; V110-R161 HydrophobicContact CG1-CG 3.95Å; V110-R161 WeakPolarHBondContact O-CG 3.19Å; V110-R161 PolarHBondContact O-NH1 3.18Å
111	F	93.7	Very high	94.1	Very high	25 Å²	25	52.5 Å²	52.5	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-102	-15.9	-165.4	-63	-70	0	0	0	116.5	C103 R104 W107 P108 L114 Y164 I209	C103-F111 WeakPolarHBondContact O-CE2 3.46Å; R104-F111 VanDerWaalsContact CA-CD2 3.44Å; R104-F111 HydrophobicContact CB-CB 4.48Å; R104-F111 HydrophobicContact CB-CD1 4.42Å; R104-F111 HydrophobicContact CB-CD2 4.36Å; R104-F111 HydrophobicContact CB-CG 4.16Å; R104-F111 HydrophobicContact CG-CD1 3.84Å; R104-F111 HydrophobicContact CG-CD2 4.46Å; R104-F111 HydrophobicContact CG-CE1 4.03Å; R104-F111 HydrophobicContact CG-CG 4.09Å; R104-F111 HydrophobicContact CG-CZ 4.39Å; R104-F111 WeakPolarHBondContact O-CD2 3.29Å; W107-F111 HydrophobicContact CB-CD2 3.91Å; W107-F111 HydrophobicContact CB-CE2 3.95Å; W107-F111 HydrophobicContact CE3-CE2 4.46Å; W107-F111 VanDerWaalsContact O-CD2 3.23Å; W107-F111 WeakPolarHBondContact O-CD2 3.3Å; W107-F111 PolarHBondContact O-N 2.93Å; P108-F111 PolarHBondContact O-N 2.81Å; F111-L114 HydrophobicContact CD1-CD2 3.72Å; F111-L114 HydrophobicContact CE1-CD2 4.17Å; F111-L114 WeakPolarHBondContact O-CB 3.46Å; F111-Y164 HydrophobicContact CD1-CE1 4.36Å; F111-Y164 AromaticContact CE1-CD1 3.87Å; F111-Y164 HydrophobicContact CE1-CD1 3.87Å; F111-Y164 AromaticContact CE1-CD2 3.62Å; F111-Y164 HydrophobicContact CE1-CD2 3.62Å; F111-Y164 AromaticContact CE1-CE1 3.71Å; F111-Y164 HydrophobicContact CE1-CE1 3.71Å; F111-Y164 AromaticContact CE1-CE2 3.47Å; F111-Y164 HydrophobicContact CE1-CE2 3.47Å; F111-Y164 VanDerWaalsContact CE1-CE2 3.47Å; F111-Y164 AromaticContact CE1-CG 3.81Å; F111-Y164 HydrophobicContact CE1-CG 3.81Å; F111-Y164 AromaticContact CE1-CZ 3.51Å; F111-Y164 AromaticContact CZ-CD2 3.87Å; F111-Y164 HydrophobicContact CZ-CD2 3.87Å; F111-Y164 AromaticContact CZ-CE2 3.71Å; F111-Y164 HydrophobicContact CZ-CE2 3.71Å; F111-Y164 HydrophobicContact CZ-CG 4.44Å; F111-I209 HydrophobicContact CE2-CD1 4.35Å; F111-I209 HydrophobicContact CZ-CD1 4.03Å
112	N	91.4	Very high	94.2	Very high	112 Å²	112	52.5 Å²	52.5	60%	0.599	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	137	173.7	-76.3	0.8	0	0	0	111.1	P108 L114 R161	P108-N112 VanDerWaalsContact O-CB 3.31Å; P108-N112 WeakPolarHBondContact O-CB 3.34Å; P108-N112 PolarHBondContact O-N 3.24Å; N112-L114 PolarHBondContact O-N 3.48Å; N112-L114 VanDerWaalsContact O-N 3.15Å; N112-R161 PolarHBondContact O-NH1 3.17Å
113	N	91.8	Very high	94.3	Very high	109 Å²	109	49.9 Å²	49.9	58%	0.583	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	44.8	-178.7	-173.6	31.2	0	0	0	111.8	K115 R161	N113-K115 PolarHBondContact O-N 3.48Å; N113-K115 VanDerWaalsContact O-N 3.17Å; N113-K115 WeakPolarHBondContact OD1-CE 3.44Å; N113-R161 PolarHBondContact O-NH2 3.04Å
114	L	94.6	Very high	94.5	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.058	28%	0.28	C	S	.	.			trans	-79	98.3	-178	-179.5	57.8	0	0	0	109.5	F111 N112 R161 Y164 L165 F299	F111-L114 HydrophobicContact CD1-CD2 3.72Å; F111-L114 HydrophobicContact CE1-CD2 4.17Å; F111-L114 WeakPolarHBondContact O-CB 3.46Å; N112-L114 PolarHBondContact O-N 3.48Å; N112-L114 VanDerWaalsContact O-N 3.15Å; L114-R161 HydrophobicContact CD1-CB 3.75Å; L114-R161 HydrophobicContact CD1-CG 3.87Å; L114-Y164 HydrophobicContact CD2-CD1 3.7Å; L114-Y164 HydrophobicContact CD2-CE1 4.17Å; L114-Y164 HydrophobicContact CD2-CG 4.47Å; L114-L165 HydrophobicContact CD1-CD1 3.82Å; L114-L165 HydrophobicContact CD1-CD2 4.28Å; L114-L165 HydrophobicContact CD1-CG 3.82Å; L114-L165 HydrophobicContact CG-CD1 4.45Å; L114-L165 HydrophobicContact CG-CD2 4.04Å; L114-L165 HydrophobicContact CG-CG 4.1Å; L114-F299 HydrophobicContact CB-CD2 4.35Å; L114-F299 HydrophobicContact CB-CE2 4.1Å; L114-F299 HydrophobicContact CD2-CE2 3.93Å; L114-F299 HydrophobicContact CD2-CZ 4.04Å; L114-F299 HydrophobicContact CG-CE2 3.79Å; L114-F299 HydrophobicContact CG-CZ 4.36Å; L114-F299 VanDerWaalsContact O-CD2 3.24Å; L114-F299 WeakPolarHBondContact O-CD2 3.4Å; L114-F299 WeakPolarHBondContact O-CE2 3.48Å
115	K	95.7	Very high	94.6	Very high	45 Å²	45	53.5 Å²	53.5	20%	0.196	28%	0.284	C	S	.	.			trans	-151.9	157.1	177.7	66.6	-174.5	-165.2	139.4	0	112	N113 S117 A118 E292 L296	N113-K115 PolarHBondContact O-N 3.48Å; N113-K115 VanDerWaalsContact O-N 3.17Å; N113-K115 WeakPolarHBondContact OD1-CE 3.44Å; K115-S117 WeakPolarHBondContact CE-OG 3.33Å; K115-S117 PolarHBondContact NZ-OG 2.98Å; K115-S117 PolarHBondContact O-N 2.87Å; K115-A118 HydrophobicContact CG-CB 3.84Å; K115-A118 WeakPolarHBondContact O-CB 3.44Å; K115-A118 PolarHBondContact O-N 3.45Å; K115-E292 HydrophobicContact CB-CG 4.49Å; K115-E292 WeakPolarHBondContact CD-OE1 3.47Å; K115-E292 WeakPolarHBondContact CE-OE1 3.22Å; K115-E292 IonicContact NZ-OE1 2.75Å; K115-E292 PolarHBondContact NZ-OE1 3.07Å; K115-L296 HydrophobicContact CB-CD2 4.4Å; K115-L296 HydrophobicContact CD-CD2 3.84Å
116	P	97.1	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-54.3	-46.9	-176.5	-28.4	36.4	0	0	0	114.8	A118 I119 K120 L123 L288 L289 E292 F295	P116-A118 VanDerWaalsContact C-N 3.27Å; P116-A118 PolarHBondContact O-N 2.78Å; P116-I119 CarbonylContact O-C 3.51Å; P116-I119 WeakPolarHBondContact O-CG1 3.33Å; P116-I119 PolarHBondContact O-N 2.63Å; P116-I119 VanDerWaalsContact O-N 3.11Å; P116-K120 PolarHBondContact O-N 2.69Å; P116-L123 HydrophobicContact CB-CD1 4.42Å; P116-L288 WeakPolarHBondContact CG-O 3.47Å; P116-L289 HydrophobicContact CB-CD2 3.94Å; P116-L289 HydrophobicContact CB-CG 4.47Å; P116-E292 HydrophobicContact CG-CB 4.43Å; P116-F295 HydrophobicContact CG-CD2 3.43Å; P116-F295 VanDerWaalsContact CG-CD2 3.43Å; P116-F295 HydrophobicContact CG-CE2 3.6Å
117	S	97.1	Very high	95.1	Very high	50 Å²	50	43.2 Å²	43.2	35%	0.35	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-61.9	-33.4	-179.3	61.4	0	0	0	0	113.1	K115 I119 K120 E292	K115-S117 WeakPolarHBondContact CE-OG 3.33Å; K115-S117 PolarHBondContact NZ-OG 2.98Å; K115-S117 PolarHBondContact O-N 2.87Å; S117-I119 PolarHBondContact O-N 2.78Å; S117-K120 PolarHBondContact O-N 2.94Å; S117-E292 WeakPolarHBondContact CA-OE2 3.49Å; S117-E292 WeakPolarHBondContact CB-OE1 3.47Å; S117-E292 WeakPolarHBondContact CB-OE2 3.26Å; S117-E292 PolarHBondContact N-OE2 3.09Å; S117-E292 PolarHBondContact OG-OE1 3.41Å; S117-E292 PolarHBondContact OG-OE2 3.02Å
118	A	96.6	Very high	95.3	Very high	39 Å²	39	42.9 Å²	42.9	32%	0.322	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-67.5	-18.1	178.7	0	0	0	0	0	113.1	K115 P116	K115-A118 HydrophobicContact CG-CB 3.84Å; K115-A118 WeakPolarHBondContact O-CB 3.44Å; K115-A118 PolarHBondContact O-N 3.45Å; P116-A118 VanDerWaalsContact C-N 3.27Å; P116-A118 PolarHBondContact O-N 2.78Å
119	I	96.1	Very high	95.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-122	15.7	-179.2	63.7	154.1	0	0	0	113.3	P116 S117 P121 V122 L123 E158 R161 A162 L165	P116-I119 CarbonylContact O-C 3.51Å; P116-I119 WeakPolarHBondContact O-CG1 3.33Å; P116-I119 PolarHBondContact O-N 2.63Å; P116-I119 VanDerWaalsContact O-N 3.11Å; S117-I119 PolarHBondContact O-N 2.78Å; I119-P121 VanDerWaalsContact C-CD 3.45Å; I119-P121 VanDerWaalsContact C-N 3.35Å; I119-P121 VanDerWaalsContact O-N 3.17Å; I119-V122 WeakPolarHBondContact O-CA 3.41Å; I119-V122 WeakPolarHBondContact O-CB 3.29Å; I119-V122 PolarHBondContact O-N 3.48Å; I119-L123 HydrophobicContact CD1-CD1 4.35Å; I119-L123 HydrophobicContact CD1-CD2 3.78Å; I119-L123 HydrophobicContact CD1-CG 3.93Å; I119-L123 HydrophobicContact CG1-CD1 4.25Å; I119-L123 HydrophobicContact CG1-CD2 4.48Å; I119-L123 HydrophobicContact CG1-CG 4.1Å; I119-L123 PolarHBondContact O-N 3.47Å; I119-L123 VanDerWaalsContact O-N 3.16Å; I119-E158 WeakPolarHBondContact CG2-OE2 3.47Å; I119-R161 HydrophobicContact CG2-CB 3.92Å; I119-A162 VanDerWaalsContact CD1-CA 3.41Å; I119-A162 HydrophobicContact CD1-CB 3.62Å; I119-L165 HydrophobicContact CD1-CD1 3.59Å; I119-L165 HydrophobicContact CG1-CD1 4.04Å
120	K	95.8	Very high	95.8	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.409	20%	0.195	S	C	.	.	H	α-helix	trans	-48.4	-43.5	-174.7	179.1	174	173	177.9	0	114.5	P116 S117 V122 L123 E124	P116-K120 PolarHBondContact O-N 2.69Å; S117-K120 PolarHBondContact O-N 2.94Å; K120-V122 VanDerWaalsContact C-N 3.25Å; K120-V122 PolarHBondContact O-N 3.31Å; K120-L123 WeakPolarHBondContact O-CB 3.31Å; K120-L123 PolarHBondContact O-N 3.24Å; K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 HydrophobicContact CG-CG 4.34Å; K120-E124 IonicContact NZ-OE1 2.97Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.88Å
121	P	95.4	Very high	95.9	Very high	89 Å²	89	35.7 Å²	35.7	58%	0.578	20%	0.196	S	C	*	.	H	α-helix	trans	-62.9	-27.8	176.4	-23.4	35.2	0	0	0	114.3	I119 S125	I119-P121 VanDerWaalsContact C-CD 3.45Å; I119-P121 VanDerWaalsContact C-N 3.35Å; I119-P121 VanDerWaalsContact O-N 3.17Å; P121-S125 PolarHBondContact O-N 3.22Å; P121-S125 VanDerWaalsContact O-N 3.08Å
122	V	96.1	Very high	96	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-77.7	-40.2	177.1	-177.4	0	0	0	0	110.9	I119 K120 S125 Y154 E158 N159 A162	I119-V122 WeakPolarHBondContact O-CA 3.41Å; I119-V122 WeakPolarHBondContact O-CB 3.29Å; I119-V122 PolarHBondContact O-N 3.48Å; K120-V122 VanDerWaalsContact C-N 3.25Å; K120-V122 PolarHBondContact O-N 3.31Å; V122-S125 WeakPolarHBondContact O-CB 3.38Å; V122-S125 PolarHBondContact O-N 3.32Å; V122-S125 PolarHBondContact O-OG 3.39Å; V122-Y154 HydrophobicContact CG1-CE2 4.3Å; V122-Y154 HydrophobicContact CG2-CD1 4.5Å; V122-Y154 HydrophobicContact CG2-CD2 4.03Å; V122-Y154 HydrophobicContact CG2-CE1 4.1Å; V122-Y154 HydrophobicContact CG2-CE2 3.54Å; V122-Y154 HydrophobicContact CG2-CG 4.48Å; V122-E158 HydrophobicContact CG2-CB 3.64Å; V122-N159 WeakPolarHBondContact CG1-OD1 3.39Å; V122-A162 HydrophobicContact CG1-CB 4.02Å
123	L	95.8	Very high	96.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-52.4	170	-61.4	-179.1	0	0	0	110	P116 I119 K120 S125 G126 A162 N285 L288 L289	P116-L123 HydrophobicContact CB-CD1 4.42Å; I119-L123 HydrophobicContact CD1-CD1 4.35Å; I119-L123 HydrophobicContact CD1-CD2 3.78Å; I119-L123 HydrophobicContact CD1-CG 3.93Å; I119-L123 HydrophobicContact CG1-CD1 4.25Å; I119-L123 HydrophobicContact CG1-CD2 4.48Å; I119-L123 HydrophobicContact CG1-CG 4.1Å; I119-L123 PolarHBondContact O-N 3.47Å; I119-L123 VanDerWaalsContact O-N 3.16Å; K120-L123 WeakPolarHBondContact O-CB 3.31Å; K120-L123 PolarHBondContact O-N 3.24Å; L123-S125 VanDerWaalsContact C-N 3.25Å; L123-S125 PolarHBondContact O-N 3.08Å; L123-G126 WeakPolarHBondContact O-CA 3.35Å; L123-G126 PolarHBondContact O-N 2.78Å; L123-A162 HydrophobicContact CD2-CB 4.18Å; L123-N285 HydrophobicContact CB-CB 4.41Å; L123-N285 PolarHBondContact O-ND2 2.72Å; L123-N285 PolarHBondContact O-OD1 2.85Å; L123-L288 HydrophobicContact CD1-CB 4.47Å; L123-L288 HydrophobicContact CD2-CD1 3.8Å; L123-L289 HydrophobicContact CD1-CD2 4.32Å; L123-L289 HydrophobicContact CD1-CG 4.31Å
124	E	95.3	Very high	96.6	Very high	110 Å²	110	38.1 Å²	38.1	51%	0.514	21%	0.207	S	C	.	.	H	α-helix	trans	-61.1	-28.5	179.6	-71.2	172.3	165	0	0	113.7	K120 G126	K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 HydrophobicContact CG-CG 4.34Å; K120-E124 IonicContact NZ-OE1 2.97Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.88Å; E124-G126 PolarHBondContact O-N 2.93Å
125	S	95.8	Very high	96.7	Very high	31 Å²	31	37.9 Å²	37.9	22%	0.217	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-21.1	171.9	81.7	0	0	0	0	113.4	P121 V122 L123 F127 R148	P121-S125 PolarHBondContact O-N 3.22Å; P121-S125 VanDerWaalsContact O-N 3.08Å; V122-S125 WeakPolarHBondContact O-CB 3.38Å; V122-S125 PolarHBondContact O-N 3.32Å; V122-S125 PolarHBondContact O-OG 3.39Å; L123-S125 VanDerWaalsContact C-N 3.25Å; L123-S125 PolarHBondContact O-N 3.08Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.18Å; S125-F127 PolarHBondContact OG-N 3.07Å; S125-R148 WeakPolarHBondContact O-CD 3.38Å; S125-R148 WeakPolarHBondContact O-CG 3.42Å
126	G	95.7	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	30.8	-175.6	0	0	0	0	0	113.2	L123 E124 V128 R145	L123-G126 WeakPolarHBondContact O-CA 3.35Å; L123-G126 PolarHBondContact O-N 2.78Å; E124-G126 PolarHBondContact O-N 2.93Å; G126-V128 PolarHBondContact O-N 2.96Å; G126-R145 PolarHBondContact O-NE 3.12Å; G126-R145 PolarHBondContact O-NH2 3.17Å
127	F	97.6	Very high	96.7	Very high	10 Å²	10	45.3 Å²	45.3	4%	0.044	25%	0.25	C	S	.	.	S	Bend	trans	-58.9	-37.5	172.4	177.1	-81.5	0	0	0	111.8	S125 I144 R145 P146 R148 W149 N159 I163	S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.18Å; S125-F127 PolarHBondContact OG-N 3.07Å; F127-I144 HydrophobicContact CD1-CG2 4.42Å; F127-I144 HydrophobicContact CE1-CG2 3.76Å; F127-I144 HydrophobicContact CZ-CG2 4.06Å; F127-I144 CarbonylContact O-C 3.35Å; F127-I144 WeakPolarHBondContact O-CA 3.42Å; F127-R145 PolarHBondContact O-N 2.91Å; F127-P146 HydrophobicContact CE2-CB 4.21Å; F127-R148 HydrophobicContact CB-CB 4.13Å; F127-W149 HydrophobicContact CD2-CB 3.63Å; F127-W149 HydrophobicContact CE2-CB 3.7Å; F127-N159 HydrophobicContact CD1-CB 3.79Å; F127-N159 HydrophobicContact CD2-CB 4.25Å; F127-N159 WeakPolarHBondContact CD2-OD1 3.42Å; F127-N159 HydrophobicContact CE1-CB 3.56Å; F127-N159 HydrophobicContact CE2-CB 3.97Å; F127-N159 HydrophobicContact CG-CB 4.16Å; F127-N159 WeakPolarHBondContact CG-OD1 3.43Å; F127-N159 HydrophobicContact CZ-CB 3.64Å; F127-I163 HydrophobicContact CE1-CD1 3.97Å; F127-I163 HydrophobicContact CE1-CG1 4.38Å
128	V	98.4	Very high	96.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.7	173.1	60.9	0	0	0	0	109.7	G126 V142 C143 I144 A162 I163 T166	G126-V128 PolarHBondContact O-N 2.96Å; V128-V142 HydrophobicContact CG2-CG1 3.83Å; V128-C143 VanDerWaalsContact CA-O 3.31Å; V128-C143 WeakPolarHBondContact CA-O 3.47Å; V128-I144 HydrophobicContact CG2-CG1 4.32Å; V128-A162 HydrophobicContact CG1-CB 3.65Å; V128-I163 HydrophobicContact CB-CG1 4.42Å; V128-I163 HydrophobicContact CG2-CG1 4.37Å; V128-T166 HydrophobicContact CG2-CG2 4.39Å
129	T	98.3	Very high	96.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	170.3	169.2	-172.6	0	0	0	0	108.8	C143 L279 D280 I281 W284	T129-C143 HydrophobicContact CG2-CB 3.86Å; T129-C143 PolarHBondContact N-O 3.42Å; T129-C143 PolarHBondContact O-N 2.91Å; T129-L279 HydrophobicContact CG2-CD1 3.84Å; T129-L279 HydrophobicContact CG2-CG 4.49Å; T129-D280 PolarHBondContact OG1-O 2.84Å; T129-I281 HydrophobicContact CG2-CG2 4.08Å; T129-W284 WeakPolarHBondContact OG1-CB 3.32Å
130	V	98.6	Very high	97	Very high	9 Å²	9	46 Å²	46	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.6	172.3	-178.6	0	0	0	0	108.2	H140 V141 V142 T166 L170 W284	V130-H140 HydrophobicContact CG1-CB 3.97Å; V130-V141 WeakPolarHBondContact CA-O 3.5Å; V130-V142 HydrophobicContact CG2-CG2 4.32Å; V130-T166 HydrophobicContact CG2-CG2 3.66Å; V130-L170 HydrophobicContact CG1-CD2 4.41Å; V130-L170 HydrophobicContact CG2-CD1 4.05Å; V130-W284 HydrophobicContact CB-CD2 3.67Å; V130-W284 HydrophobicContact CB-CE3 3.65Å; V130-W284 HydrophobicContact CB-CG 4.17Å; V130-W284 HydrophobicContact CB-CH2 4.42Å; V130-W284 HydrophobicContact CB-CZ2 4.43Å; V130-W284 HydrophobicContact CB-CZ3 4.02Å; V130-W284 HydrophobicContact CG1-CE3 4.41Å; V130-W284 HydrophobicContact CG1-CZ3 4.38Å; V130-W284 HydrophobicContact CG2-CD2 3.59Å; V130-W284 VanDerWaalsContact CG2-CE2 3.4Å; V130-W284 HydrophobicContact CG2-CE3 3.93Å; V130-W284 HydrophobicContact CG2-CG 4.17Å; V130-W284 HydrophobicContact CG2-CH2 3.98Å; V130-W284 HydrophobicContact CG2-CZ2 3.64Å; V130-W284 HydrophobicContact CG2-CZ3 4.09Å
131	L	98.1	Very high	97.1	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	23%	0.225	C	C	.	.			trans	-65.2	140.3	176.8	-57.9	-172.9	0	0	0	110	R133 V141 C143 L268 L279	L131-R133 PolarHBondContact O-N 2.98Å; L131-R133 VanDerWaalsContact O-N 3.16Å; L131-V141 HydrophobicContact CB-CB 4.26Å; L131-V141 HydrophobicContact CD1-CB 3.86Å; L131-V141 HydrophobicContact CD1-CG1 3.74Å; L131-V141 HydrophobicContact CG-CB 4.04Å; L131-V141 HydrophobicContact CG-CG1 4.12Å; L131-V141 PolarHBondContact N-O 3.04Å; L131-C143 HydrophobicContact CD2-CB 4.47Å; L131-L268 HydrophobicContact CD1-CD2 3.98Å; L131-L279 HydrophobicContact CD2-CD1 3.63Å
132	P	95.8	Very high	97.3	Very high	110 Å²	110	37.4 Å²	37.4	71%	0.714	20%	0.199	S	C	*	.	S	Bend	trans	-70.3	-12.9	-174.3	28.9	-36.7	0	0	0	113.5
133	R	96.6	Very high	97.4	Very high	121 Å²	121	37.2 Å²	37.2	46%	0.457	20%	0.198	S	C	.	.	S	Bend	trans	-110.8	133.5	177.9	-67.9	179.3	176	-170.1	-2.9	109.8	L131 V266 I267	L131-R133 PolarHBondContact O-N 2.98Å; L131-R133 VanDerWaalsContact O-N 3.16Å; R133-V266 PolarHBondContact NH1-O 3.17Å; R133-I267 HydrophobicContact CB-CB 3.83Å; R133-I267 HydrophobicContact CB-CG2 3.77Å
134	L	97.7	Very high	97.5	Very high	66 Å²	66	38.2 Å²	38.2	35%	0.346	20%	0.203	S	C	.	.			trans	-67.3	153.3	167.1	-57.2	178.3	0	0	0	109.9	R139 H140 I267	L134-R139 WeakPolarHBondContact CA-O 3.05Å; L134-H140 HydrophobicContact CD2-CB 4.31Å; L134-I267 WeakPolarHBondContact O-CG2 3.34Å
135	D	97.2	Very high	97.6	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.032	18%	0.184	C	C	.	.			trans	-74	171.4	167.6	78.3	8.7	0	0	0	111.9	E137 G138 R139 V141 V182 I267	D135-E137 PolarHBondContact O-N 3.45Å; D135-E137 WeakPolarHBondContact OD1-CA 3.22Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.64Å; D135-G138 PolarHBondContact O-N 2.95Å; D135-G138 PolarHBondContact OD1-N 3.27Å; D135-R139 PolarHBondContact N-O 3.45Å; D135-R139 VanDerWaalsContact OD1-CB 3.31Å; D135-R139 WeakPolarHBondContact OD1-CB 3.29Å; D135-R139 IonicContact OD1-CZ 3.78Å; D135-R139 PolarHBondContact OD1-N 3.29Å; D135-R139 IonicContact OD1-NE 3.12Å; D135-R139 PolarHBondContact OD1-NE 3.05Å; D135-R139 IonicContact OD1-NH2 2.79Å; D135-R139 IonicContact OD2-CZ 2.82Å; D135-R139 IonicContact OD2-NE 3.03Å; D135-R139 PolarHBondContact OD2-NE 3.47Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 3.27Å; D135-V141 HydrophobicContact CB-CG2 4.36Å; D135-V182 WeakPolarHBondContact OD2-CG2 3.1Å; D135-I267 HydrophobicContact CB-CD1 3.71Å
136	P	96.4	Very high	97.6	Very high	109 Å²	109	33.6 Å²	33.6	71%	0.708	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.2	-177.2	-25.9	35.7	0	0	0	115.3	P264	P136-P264 HydrophobicContact CG-CG 3.72Å
137	E	96.9	Very high	97.5	Very high	91 Å²	91	35.4 Å²	35.4	43%	0.425	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.5	177.6	-78.6	-69.1	155.8	0	0	112.8	K40 D135 R139 N179	K40-E137 PolarHBondContact NZ-O 3.37Å; K40-E137 IonicContact NZ-OE2 2.71Å; K40-E137 PolarHBondContact NZ-OE2 3.08Å; D135-E137 PolarHBondContact O-N 3.45Å; D135-E137 WeakPolarHBondContact OD1-CA 3.22Å; D135-E137 WeakPolarHBondContact OD1-CB 3.48Å; D135-E137 PolarHBondContact OD1-N 2.64Å; E137-R139 HydrophobicContact CB-CG 3.97Å; E137-N179 PolarHBondContact O-OD1 2.94Å
138	G	97.8	Very high	97.4	Very high	20 Å²	20	40.2 Å²	40.2	21%	0.206	21%	0.205	C	C	.	.	S	Bend	trans	72.6	27.5	-177.8	0	0	0	0	0	113.3	D135 N179	D135-G138 PolarHBondContact O-N 2.95Å; D135-G138 PolarHBondContact OD1-N 3.27Å; G138-N179 WeakPolarHBondContact O-CB 3.44Å; G138-N179 PolarHBondContact O-ND2 3.03Å
139	R	98.5	Very high	97.3	Very high	39 Å²	39	40.6 Å²	40.6	15%	0.147	21%	0.207	C	C	.	.			trans	-103.5	137.6	-176.9	-52.3	174.1	-62.1	-150.1	8.3	110.8	L134 D135 E137 N179 G180 V182	L134-R139 WeakPolarHBondContact CA-O 3.05Å; D135-R139 PolarHBondContact N-O 3.45Å; D135-R139 VanDerWaalsContact OD1-CB 3.31Å; D135-R139 WeakPolarHBondContact OD1-CB 3.29Å; D135-R139 IonicContact OD1-CZ 3.78Å; D135-R139 PolarHBondContact OD1-N 3.29Å; D135-R139 IonicContact OD1-NE 3.12Å; D135-R139 PolarHBondContact OD1-NE 3.05Å; D135-R139 IonicContact OD1-NH2 2.79Å; D135-R139 IonicContact OD2-CZ 2.82Å; D135-R139 IonicContact OD2-NE 3.03Å; D135-R139 PolarHBondContact OD2-NE 3.47Å; D135-R139 IonicContact OD2-NH2 2.66Å; D135-R139 PolarHBondContact OD2-NH2 3.27Å; E137-R139 HydrophobicContact CB-CG 3.97Å; R139-N179 HydrophobicContact CG-CB 3.94Å; R139-G180 WeakPolarHBondContact CB-O 3.37Å; R139-V182 HydrophobicContact CB-CG2 4.32Å
140	H	98.4	Very high	97	Very high	46 Å²	46	43.1 Å²	43.1	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.4	168.1	-75.3	-84.9	0	0	0	110.7	V130 L134 L170 I181 V182	V130-H140 HydrophobicContact CG1-CB 3.97Å; L134-H140 HydrophobicContact CD2-CB 4.31Å; H140-L170 HydrophobicContact CB-CD2 3.94Å; H140-I181 HydrophobicContact CB-CG2 4.33Å; H140-V182 PolarHBondContact O-N 3.29Å
141	V	98.7	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.6	172	-177.1	0	0	0	0	109.1	V130 L131 D135 V182 L184 I263 I267	V130-V141 WeakPolarHBondContact CA-O 3.5Å; L131-V141 HydrophobicContact CB-CB 4.26Å; L131-V141 HydrophobicContact CD1-CB 3.86Å; L131-V141 HydrophobicContact CD1-CG1 3.74Å; L131-V141 HydrophobicContact CG-CB 4.04Å; L131-V141 HydrophobicContact CG-CG1 4.12Å; L131-V141 PolarHBondContact N-O 3.04Å; D135-V141 HydrophobicContact CB-CG2 4.36Å; V141-V182 CarbonylContact C-O 3.58Å; V141-V182 WeakPolarHBondContact CA-O 3.15Å; V141-V182 HydrophobicContact CG2-CB 4.42Å; V141-L184 HydrophobicContact CG1-CB 3.94Å; V141-I263 HydrophobicContact CG1-CD1 3.95Å; V141-I263 HydrophobicContact CG2-CD1 4.48Å; V141-I263 HydrophobicContact CG2-CG2 4.2Å; V141-I267 HydrophobicContact CG2-CD1 3.88Å
142	V	98.8	Very high	96.4	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.5	174.7	-174.4	0	0	0	0	108.5	V128 V130 I144 T166 L170 I181 V182 I183 L184	V128-V142 HydrophobicContact CG2-CG1 3.83Å; V130-V142 HydrophobicContact CG2-CG2 4.32Å; V142-I144 HydrophobicContact CG1-CG1 4.3Å; V142-T166 HydrophobicContact CG1-CG2 4.24Å; V142-L170 HydrophobicContact CG2-CD1 3.68Å; V142-I181 HydrophobicContact CG2-CD1 4Å; V142-V182 PolarHBondContact N-O 2.96Å; V142-I183 WeakPolarHBondContact O-CA 3.32Å; V142-L184 PolarHBondContact O-N 2.87Å
143	C	98.6	Very high	96.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126	177.6	-177.8	0	0	0	0	110.1	V128 T129 L131 L184 Y272	V128-C143 VanDerWaalsContact CA-O 3.31Å; V128-C143 WeakPolarHBondContact CA-O 3.47Å; T129-C143 HydrophobicContact CG2-CB 3.86Å; T129-C143 PolarHBondContact N-O 3.42Å; T129-C143 PolarHBondContact O-N 2.91Å; L131-C143 HydrophobicContact CD2-CB 4.47Å; C143-L184 CarbonylContact C-O 3.58Å; C143-L184 VanDerWaalsContact CA-O 3.3Å; C143-L184 WeakPolarHBondContact CA-O 2.95Å; C143-Y272 PolarHBondContact SG-OH 3.23Å
144	I	98.4	Very high	96.2	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.2	177.6	-56.9	178.1	0	0	0	108.9	F127 V128 V142 P146 I163 I183 L184 A185 D186	F127-I144 HydrophobicContact CD1-CG2 4.42Å; F127-I144 HydrophobicContact CE1-CG2 3.76Å; F127-I144 HydrophobicContact CZ-CG2 4.06Å; F127-I144 CarbonylContact O-C 3.35Å; F127-I144 WeakPolarHBondContact O-CA 3.42Å; V128-I144 HydrophobicContact CG2-CG1 4.32Å; V142-I144 HydrophobicContact CG1-CG1 4.3Å; I144-P146 HydrophobicContact CG2-CG 4.18Å; I144-I163 HydrophobicContact CD1-CD1 4.15Å; I144-I163 HydrophobicContact CD1-CG1 4.43Å; I144-I183 HydrophobicContact CD1-CG2 3.9Å; I144-I183 HydrophobicContact CG1-CG2 4.37Å; I144-L184 PolarHBondContact N-O 3.41Å; I144-A185 CarbonylContact O-C 3.02Å; I144-A185 VanDerWaalsContact O-CA 3.31Å; I144-A185 WeakPolarHBondContact O-CA 3.38Å; I144-D186 PolarHBondContact O-N 3.07Å
145	R	97.5	Very high	96	Very high	28 Å²	28	46.2 Å²	46.2	11%	0.106	25%	0.254	C	S	.	.			trans	-129.6	85.1	-176.5	-60.5	-169.7	-61.8	177.6	0.6	110.2	G126 F127 D147 R148 D186 Y272	G126-R145 PolarHBondContact O-NE 3.12Å; G126-R145 PolarHBondContact O-NH2 3.17Å; F127-R145 PolarHBondContact O-N 2.91Å; R145-D147 WeakPolarHBondContact CB-OD1 3.4Å; R145-D147 PolarHBondContact O-N 2.92Å; R145-D147 VanDerWaalsContact O-N 3.08Å; R145-R148 HydrophobicContact CB-CG 3.91Å; R145-R148 WeakPolarHBondContact O-CB 3.49Å; R145-R148 WeakPolarHBondContact O-CG 3.18Å; R145-R148 PolarHBondContact O-N 3.21Å; R145-R148 VanDerWaalsContact O-N 3.1Å; R145-D186 HydrophobicContact CG-CB 4.38Å; R145-Y272 WeakPolarHBondContact CD-OH 3.13Å
146	P	95	Very high	95.9	Very high	16 Å²	16	47 Å²	47	10%	0.104	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-67.4	-9.2	-174.4	-20.2	34.3	0	0	0	114.5	F127 I144 R148 D186 Y187 V190 K194	F127-P146 HydrophobicContact CE2-CB 4.21Å; I144-P146 HydrophobicContact CG2-CG 4.18Å; P146-R148 VanDerWaalsContact C-N 3.27Å; P146-R148 PolarHBondContact O-N 3.32Å; P146-D186 WeakPolarHBondContact CD-O 3.31Å; P146-Y187 HydrophobicContact CG-CE1 4.4Å; P146-Y187 HydrophobicContact CG-CE2 4.41Å; P146-V190 HydrophobicContact CB-CG2 3.88Å; P146-K194 VanDerWaalsContact O-CD 3.26Å; P146-K194 WeakPolarHBondContact O-CD 3.39Å
147	D	93.9	Very high	95.8	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64.3	-31	170.5	81.4	-48.6	0	0	0	112.5	R145 W149 K188 K194	R145-D147 WeakPolarHBondContact CB-OD1 3.4Å; R145-D147 PolarHBondContact O-N 2.92Å; R145-D147 VanDerWaalsContact O-N 3.08Å; D147-W149 VanDerWaalsContact C-N 3.32Å; D147-W149 PolarHBondContact O-N 3.09Å; D147-K188 WeakPolarHBondContact CB-O 3.46Å; D147-K194 PolarHBondContact O-NZ 3.23Å
148	R	95.8	Very high	95.8	Very high	111 Å²	111	40.5 Å²	40.5	42%	0.419	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.3	-25.4	-178.8	-59.2	-63.2	121.6	164.8	1.2	114.4	S125 F127 R145 P146	S125-R148 WeakPolarHBondContact O-CD 3.38Å; S125-R148 WeakPolarHBondContact O-CG 3.42Å; F127-R148 HydrophobicContact CB-CB 4.13Å; R145-R148 HydrophobicContact CB-CG 3.91Å; R145-R148 WeakPolarHBondContact O-CB 3.49Å; R145-R148 WeakPolarHBondContact O-CG 3.18Å; R145-R148 PolarHBondContact O-N 3.21Å; R145-R148 VanDerWaalsContact O-N 3.1Å; P146-R148 VanDerWaalsContact C-N 3.27Å; P146-R148 PolarHBondContact O-N 3.32Å
149	W	95.4	Very high	95.8	Very high	9 Å²	9	39.6 Å²	39.6	3%	0.034	21%	0.21	C	C	.	.			trans	-80.5	127.7	178.3	165.4	52.3	0	0	0	111.5	F127 D147 P151 Y154 I156 K194 H197	F127-W149 HydrophobicContact CD2-CB 3.63Å; F127-W149 HydrophobicContact CE2-CB 3.7Å; D147-W149 VanDerWaalsContact C-N 3.32Å; D147-W149 PolarHBondContact O-N 3.09Å; W149-P151 HydrophobicContact CD2-CG 4.2Å; W149-P151 HydrophobicContact CE3-CG 4.3Å; W149-P151 HydrophobicContact CH2-CB 4.39Å; W149-P151 HydrophobicContact CH2-CG 3.92Å; W149-P151 HydrophobicContact CZ2-CB 3.84Å; W149-P151 HydrophobicContact CZ2-CG 3.71Å; W149-P151 HydrophobicContact CZ3-CG 4.17Å; W149-Y154 AromaticContact CD1-CD2 3.88Å; W149-Y154 AromaticContact CD1-CE2 3.42Å; W149-Y154 VanDerWaalsContact CD1-CE2 3.42Å; W149-Y154 AromaticContact CD1-CZ 3.83Å; W149-Y154 HydrophobicContact CG-CE2 4.41Å; W149-Y154 PolarHBondContact NE1-O 3.02Å; W149-I156 HydrophobicContact CD2-CD1 3.88Å; W149-I156 HydrophobicContact CE3-CD1 3.75Å; W149-I156 HydrophobicContact CH2-CB 3.73Å; W149-I156 HydrophobicContact CH2-CD1 3.86Å; W149-I156 HydrophobicContact CH2-CG1 4.01Å; W149-I156 HydrophobicContact CZ2-CB 3.58Å; W149-I156 HydrophobicContact CZ2-CD1 4.07Å; W149-I156 HydrophobicContact CZ2-CG1 4.24Å; W149-I156 HydrophobicContact CZ3-CB 4.49Å; W149-I156 HydrophobicContact CZ3-CD1 3.75Å; W149-I156 HydrophobicContact CZ3-CG1 4.32Å; W149-K194 HydrophobicContact CE3-CD 4.04Å; W149-K194 HydrophobicContact CE3-CG 3.69Å; W149-K194 HydrophobicContact CZ3-CG 3.79Å; W149-K194 WeakPolarHBondContact CZ3-O 3.48Å; W149-K194 WeakPolarHBondContact O-CD 3.25Å; W149-K194 WeakPolarHBondContact O-CE 3.01Å; W149-K194 PolarHBondContact O-NZ 3.17Å; W149-H197 HydrophobicContact CH2-CB 3.49Å; W149-H197 VanDerWaalsContact CH2-CB 3.49Å; W149-H197 HydrophobicContact CZ2-CB 4.18Å; W149-H197 HydrophobicContact CZ3-CB 4.4Å
150	T	92.8	Very high	95.7	Very high	54 Å²	54	38.4 Å²	38.4	33%	0.331	21%	0.207	S	C	.	.			trans	-111	110.7	174.4	-63.3	0	0	0	0	109.6	S152 N153	T150-S152 VanDerWaalsContact CG2-OG 3.29Å; T150-S152 WeakPolarHBondContact CG2-OG 3.47Å; T150-S152 PolarHBondContact O-N 2.94Å; T150-S152 VanDerWaalsContact O-N 3.12Å; T150-N153 HydrophobicContact CG2-CB 4.5Å; T150-N153 WeakPolarHBondContact CG2-OD1 3.4Å; T150-N153 WeakPolarHBondContact O-CB 3.48Å; T150-N153 PolarHBondContact O-N 2.88Å
151	P	92.3	Very high	95.7	Very high	35 Å²	35	36.9 Å²	36.9	23%	0.227	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.9	-174.3	-26.3	33.1	0	0	0	115.7	W149 N153 K194	W149-P151 HydrophobicContact CD2-CG 4.2Å; W149-P151 HydrophobicContact CE3-CG 4.3Å; W149-P151 HydrophobicContact CH2-CB 4.39Å; W149-P151 HydrophobicContact CH2-CG 3.92Å; W149-P151 HydrophobicContact CZ2-CB 3.84Å; W149-P151 HydrophobicContact CZ2-CG 3.71Å; W149-P151 HydrophobicContact CZ3-CG 4.17Å; P151-N153 VanDerWaalsContact C-N 3.29Å; P151-K194 HydrophobicContact CG-CG 4.05Å
152	S	91.8	Very high	95.7	Very high	110 Å²	110	36.9 Å²	36.9	77%	0.769	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.2	175.7	56.5	0	0	0	0	114.1	T150	T150-S152 VanDerWaalsContact CG2-OG 3.29Å; T150-S152 WeakPolarHBondContact CG2-OG 3.47Å; T150-S152 PolarHBondContact O-N 2.94Å; T150-S152 VanDerWaalsContact O-N 3.12Å
153	N	94	Very high	95.6	Very high	115 Å²	115	38.4 Å²	38.4	62%	0.615	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-40.4	-177.1	-62.9	14	0	0	0	111.1	T150 P151	T150-N153 HydrophobicContact CG2-CB 4.5Å; T150-N153 WeakPolarHBondContact CG2-OD1 3.4Å; T150-N153 WeakPolarHBondContact O-CB 3.48Å; T150-N153 PolarHBondContact O-N 2.88Å; P151-N153 VanDerWaalsContact C-N 3.29Å
154	Y	94.4	Very high	95.6	Very high	41 Å²	41	38.6 Å²	38.6	16%	0.161	21%	0.207	C	C	.	.	S	Bend	trans	-162.7	153.3	179.8	55.7	-95.2	0	0	0	111.5	V122 W149 E158 N159	V122-Y154 HydrophobicContact CG1-CE2 4.3Å; V122-Y154 HydrophobicContact CG2-CD1 4.5Å; V122-Y154 HydrophobicContact CG2-CD2 4.03Å; V122-Y154 HydrophobicContact CG2-CE1 4.1Å; V122-Y154 HydrophobicContact CG2-CE2 3.54Å; V122-Y154 HydrophobicContact CG2-CG 4.48Å; W149-Y154 AromaticContact CD1-CD2 3.88Å; W149-Y154 AromaticContact CD1-CE2 3.42Å; W149-Y154 VanDerWaalsContact CD1-CE2 3.42Å; W149-Y154 AromaticContact CD1-CZ 3.83Å; W149-Y154 HydrophobicContact CG-CE2 4.41Å; W149-Y154 PolarHBondContact NE1-O 3.02Å; Y154-E158 HydrophobicContact CD2-CB 3.71Å; Y154-E158 HydrophobicContact CD2-CG 4.02Å; Y154-E158 HydrophobicContact CE2-CB 4.14Å; Y154-E158 HydrophobicContact CG-CG 4.44Å; Y154-N159 PolarHBondContact OH-OD1 2.77Å
155	P	93.7	Very high	95.6	Very high	77 Å²	77	37.5 Å²	37.5	50%	0.5	20%	0.202	S	C	.	.			trans	-66.5	156.5	178.9	28.2	-36.3	0	0	0	112.7	T157 E158	P155-T157 WeakPolarHBondContact CG-OG1 3.5Å; P155-T157 PolarHBondContact O-N 3.02Å; P155-E158 HydrophobicContact CG-CG 4.5Å; P155-E158 PolarHBondContact O-N 3.1Å; P155-E158 VanDerWaalsContact O-N 3.17Å
156	I	94.1	Very high	95.7	Very high	22 Å²	22	36.2 Å²	36.2	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-22	179.5	-169.6	51	0	0	0	113.7	W149 E158 N159 I160 F198 V202	W149-I156 HydrophobicContact CD2-CD1 3.88Å; W149-I156 HydrophobicContact CE3-CD1 3.75Å; W149-I156 HydrophobicContact CH2-CB 3.73Å; W149-I156 HydrophobicContact CH2-CD1 3.86Å; W149-I156 HydrophobicContact CH2-CG1 4.01Å; W149-I156 HydrophobicContact CZ2-CB 3.58Å; W149-I156 HydrophobicContact CZ2-CD1 4.07Å; W149-I156 HydrophobicContact CZ2-CG1 4.24Å; W149-I156 HydrophobicContact CZ3-CB 4.49Å; W149-I156 HydrophobicContact CZ3-CD1 3.75Å; W149-I156 HydrophobicContact CZ3-CG1 4.32Å; I156-E158 VanDerWaalsContact C-N 3.27Å; I156-E158 PolarHBondContact O-N 3.25Å; I156-N159 HydrophobicContact CD1-CB 4.11Å; I156-N159 WeakPolarHBondContact O-CB 3.48Å; I156-N159 PolarHBondContact O-N 3.4Å; I156-N159 VanDerWaalsContact O-N 3.17Å; I156-I160 HydrophobicContact CG1-CD1 4.17Å; I156-I160 HydrophobicContact CG2-CD1 4.37Å; I156-I160 WeakPolarHBondContact O-CG1 3.35Å; I156-I160 PolarHBondContact O-N 2.97Å; I156-F198 HydrophobicContact CG1-CD2 4.02Å; I156-V202 HydrophobicContact CG2-CG1 4.08Å; I156-V202 HydrophobicContact CG2-CG2 4.42Å
157	T	95.5	Very high	95.8	Very high	20 Å²	20	35.8 Å²	35.8	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-56.9	-35.3	176.4	45.8	0	0	0	0	112.9	W107 E109 V110 P155 N159 I160 R161	W107-T157 HydrophobicContact CZ2-CG2 4.26Å; E109-T157 HydrophobicContact CB-CG2 4.25Å; V110-T157 HydrophobicContact CG2-CG2 3.87Å; P155-T157 WeakPolarHBondContact CG-OG1 3.5Å; P155-T157 PolarHBondContact O-N 3.02Å; T157-N159 VanDerWaalsContact C-N 3.33Å; T157-N159 PolarHBondContact O-N 2.85Å; T157-I160 WeakPolarHBondContact O-CB 3.44Å; T157-I160 PolarHBondContact O-N 3.45Å; T157-I160 VanDerWaalsContact O-N 3.12Å; T157-R161 VanDerWaalsContact O-CG 3.25Å; T157-R161 WeakPolarHBondContact O-CG 3.16Å; T157-R161 PolarHBondContact O-N 2.81Å
158	E	96.9	Very high	96	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-33.1	178.2	-55.2	-51.3	136.9	0	0	113	I119 V122 Y154 P155 I156 R161 A162	I119-E158 WeakPolarHBondContact CG2-OE2 3.47Å; V122-E158 HydrophobicContact CG2-CB 3.64Å; Y154-E158 HydrophobicContact CD2-CB 3.71Å; Y154-E158 HydrophobicContact CD2-CG 4.02Å; Y154-E158 HydrophobicContact CE2-CB 4.14Å; Y154-E158 HydrophobicContact CG-CG 4.44Å; P155-E158 HydrophobicContact CG-CG 4.5Å; P155-E158 PolarHBondContact O-N 3.1Å; P155-E158 VanDerWaalsContact O-N 3.17Å; I156-E158 VanDerWaalsContact C-N 3.27Å; I156-E158 PolarHBondContact O-N 3.25Å; E158-R161 WeakPolarHBondContact O-CB 3.18Å; E158-R161 PolarHBondContact O-N 3.34Å; E158-R161 VanDerWaalsContact OE2-CD 3.28Å; E158-R161 WeakPolarHBondContact OE2-CD 3.23Å; E158-R161 IonicContact OE2-NE 2.82Å; E158-R161 PolarHBondContact OE2-NE 3.18Å; E158-A162 PolarHBondContact O-N 3.42Å
159	N	97.2	Very high	96.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-70.6	-35.4	172.4	-58.8	-67.4	0	0	0	111.8	V122 F127 Y154 I156 T157 R161 A162 I163	V122-N159 WeakPolarHBondContact CG1-OD1 3.39Å; F127-N159 HydrophobicContact CD1-CB 3.79Å; F127-N159 HydrophobicContact CD2-CB 4.25Å; F127-N159 WeakPolarHBondContact CD2-OD1 3.42Å; F127-N159 HydrophobicContact CE1-CB 3.56Å; F127-N159 HydrophobicContact CE2-CB 3.97Å; F127-N159 HydrophobicContact CG-CB 4.16Å; F127-N159 WeakPolarHBondContact CG-OD1 3.43Å; F127-N159 HydrophobicContact CZ-CB 3.64Å; Y154-N159 PolarHBondContact OH-OD1 2.77Å; I156-N159 HydrophobicContact CD1-CB 4.11Å; I156-N159 WeakPolarHBondContact O-CB 3.48Å; I156-N159 PolarHBondContact O-N 3.4Å; I156-N159 VanDerWaalsContact O-N 3.17Å; T157-N159 VanDerWaalsContact C-N 3.33Å; T157-N159 PolarHBondContact O-N 2.85Å; N159-R161 VanDerWaalsContact C-N 3.32Å; N159-A162 PolarHBondContact O-N 3.38Å; N159-I163 WeakPolarHBondContact O-CG1 3.15Å; N159-I163 PolarHBondContact O-N 2.73Å
160	I	97.1	Very high	96.2	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-37.2	176.7	-64.7	160.2	0	0	0	109.8	W107 V110 I156 T157 I163 Y164 V202 V206	W107-I160 HydrophobicContact CH2-CD1 3.69Å; W107-I160 HydrophobicContact CH2-CG2 4.28Å; W107-I160 HydrophobicContact CZ2-CD1 4.03Å; W107-I160 HydrophobicContact CZ3-CG2 4.19Å; V110-I160 HydrophobicContact CG1-CG2 4.03Å; V110-I160 HydrophobicContact CG2-CB 4.36Å; V110-I160 HydrophobicContact CG2-CG2 4.02Å; I156-I160 HydrophobicContact CG1-CD1 4.17Å; I156-I160 HydrophobicContact CG2-CD1 4.37Å; I156-I160 WeakPolarHBondContact O-CG1 3.35Å; I156-I160 PolarHBondContact O-N 2.97Å; T157-I160 WeakPolarHBondContact O-CB 3.44Å; T157-I160 PolarHBondContact O-N 3.45Å; T157-I160 VanDerWaalsContact O-N 3.12Å; I160-I163 PolarHBondContact O-N 3.45Å; I160-Y164 WeakPolarHBondContact O-CB 3.16Å; I160-Y164 PolarHBondContact O-N 3.42Å; I160-V202 HydrophobicContact CD1-CG1 3.77Å; I160-V206 HydrophobicContact CD1-CG2 3.77Å; I160-V206 HydrophobicContact CG1-CG2 4.06Å; I160-V206 HydrophobicContact CG2-CG2 4.47Å
161	R	97.7	Very high	96.5	Very high	13 Å²	13	28.1 Å²	28.1	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-46.4	169.8	-70.3	165	56.6	86.5	-6.4	111.5	V110 N112 N113 L114 I119 T157 E158 N159 Y164 L165	V110-R161 HydrophobicContact CB-CG 4.33Å; V110-R161 HydrophobicContact CG1-CG 3.95Å; V110-R161 WeakPolarHBondContact O-CG 3.19Å; V110-R161 PolarHBondContact O-NH1 3.18Å; N112-R161 PolarHBondContact O-NH1 3.17Å; N113-R161 PolarHBondContact O-NH2 3.04Å; L114-R161 HydrophobicContact CD1-CB 3.75Å; L114-R161 HydrophobicContact CD1-CG 3.87Å; I119-R161 HydrophobicContact CG2-CB 3.92Å; T157-R161 VanDerWaalsContact O-CG 3.25Å; T157-R161 WeakPolarHBondContact O-CG 3.16Å; T157-R161 PolarHBondContact O-N 2.81Å; E158-R161 WeakPolarHBondContact O-CB 3.18Å; E158-R161 PolarHBondContact O-N 3.34Å; E158-R161 VanDerWaalsContact OE2-CD 3.28Å; E158-R161 WeakPolarHBondContact OE2-CD 3.23Å; E158-R161 IonicContact OE2-NE 2.82Å; E158-R161 PolarHBondContact OE2-NE 3.18Å; N159-R161 VanDerWaalsContact C-N 3.32Å; R161-Y164 PolarHBondContact O-N 3.13Å; R161-L165 PolarHBondContact O-N 3.45Å
162	A	98.2	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-42.6	176.8	0	0	0	0	0	113.5	I119 V122 L123 V128 E158 N159 T166	I119-A162 VanDerWaalsContact CD1-CA 3.41Å; I119-A162 HydrophobicContact CD1-CB 3.62Å; V122-A162 HydrophobicContact CG1-CB 4.02Å; L123-A162 HydrophobicContact CD2-CB 4.18Å; V128-A162 HydrophobicContact CG1-CB 3.65Å; E158-A162 PolarHBondContact O-N 3.42Å; N159-A162 PolarHBondContact O-N 3.38Å; A162-T166 WeakPolarHBondContact O-CB 3.33Å; A162-T166 PolarHBondContact O-N 3.07Å; A162-T166 VanDerWaalsContact O-N 3.1Å; A162-T166 PolarHBondContact O-OG1 3.05Å
163	I	98.2	Very high	96.9	Very high	36 Å²	36	26.3 Å²	26.3	19%	0.185	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-46.1	172.8	-69	165.3	0	0	0	110.1	F127 V128 I144 N159 I160 T166 L167	F127-I163 HydrophobicContact CE1-CD1 3.97Å; F127-I163 HydrophobicContact CE1-CG1 4.38Å; V128-I163 HydrophobicContact CB-CG1 4.42Å; V128-I163 HydrophobicContact CG2-CG1 4.37Å; I144-I163 HydrophobicContact CD1-CD1 4.15Å; I144-I163 HydrophobicContact CD1-CG1 4.43Å; N159-I163 WeakPolarHBondContact O-CG1 3.15Å; N159-I163 PolarHBondContact O-N 2.73Å; I160-I163 PolarHBondContact O-N 3.45Å; I163-T166 WeakPolarHBondContact O-CB 3.37Å; I163-T166 PolarHBondContact O-N 3.21Å; I163-L167 HydrophobicContact CG2-CD1 4.07Å; I163-L167 HydrophobicContact CG2-CG 4.28Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3.33Å
164	Y	97.9	Very high	97.1	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.02	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-45.7	-176	-165.1	-83.3	0	0	0	112.2	Y100 F111 L114 I160 R161 T166 L167 E168 I209 F214	Y100-Y164 WeakPolarHBondContact CE2-OH 3.42Å; F111-Y164 HydrophobicContact CD1-CE1 4.36Å; F111-Y164 AromaticContact CE1-CD1 3.87Å; F111-Y164 HydrophobicContact CE1-CD1 3.87Å; F111-Y164 AromaticContact CE1-CD2 3.62Å; F111-Y164 HydrophobicContact CE1-CD2 3.62Å; F111-Y164 AromaticContact CE1-CE1 3.71Å; F111-Y164 HydrophobicContact CE1-CE1 3.71Å; F111-Y164 AromaticContact CE1-CE2 3.47Å; F111-Y164 HydrophobicContact CE1-CE2 3.47Å; F111-Y164 VanDerWaalsContact CE1-CE2 3.47Å; F111-Y164 AromaticContact CE1-CG 3.81Å; F111-Y164 HydrophobicContact CE1-CG 3.81Å; F111-Y164 AromaticContact CE1-CZ 3.51Å; F111-Y164 AromaticContact CZ-CD2 3.87Å; F111-Y164 HydrophobicContact CZ-CD2 3.87Å; F111-Y164 AromaticContact CZ-CE2 3.71Å; F111-Y164 HydrophobicContact CZ-CE2 3.71Å; F111-Y164 HydrophobicContact CZ-CG 4.44Å; L114-Y164 HydrophobicContact CD2-CD1 3.7Å; L114-Y164 HydrophobicContact CD2-CE1 4.17Å; L114-Y164 HydrophobicContact CD2-CG 4.47Å; I160-Y164 WeakPolarHBondContact O-CB 3.16Å; I160-Y164 PolarHBondContact O-N 3.42Å; R161-Y164 PolarHBondContact O-N 3.13Å; Y164-T166 VanDerWaalsContact C-N 3.28Å; Y164-T166 PolarHBondContact O-N 3.47Å; Y164-L167 PolarHBondContact O-N 2.86Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; Y164-E168 HydrophobicContact CD1-CG 3.69Å; Y164-E168 HydrophobicContact CE1-CG 3.46Å; Y164-E168 VanDerWaalsContact CE1-CG 3.46Å; Y164-E168 WeakPolarHBondContact CE1-OE1 3.37Å; Y164-E168 WeakPolarHBondContact O-CG 3.2Å; Y164-E168 PolarHBondContact O-N 3.08Å; Y164-E168 PolarHBondContact OH-OE1 2.91Å; Y164-I209 HydrophobicContact CD2-CG2 4.25Å; Y164-I209 HydrophobicContact CE2-CG2 4.1Å; Y164-F214 HydrophobicContact CD2-CD2 4.24Å; Y164-F214 HydrophobicContact CD2-CE2 4.42Å; Y164-F214 HydrophobicContact CE1-CE2 4.09Å; Y164-F214 AromaticContact CE2-CD2 3.53Å; Y164-F214 HydrophobicContact CE2-CD2 3.53Å; Y164-F214 AromaticContact CE2-CE2 3.85Å; Y164-F214 HydrophobicContact CE2-CE2 3.85Å; Y164-F214 AromaticContact CZ-CD2 3.73Å; Y164-F214 AromaticContact CZ-CE2 3.67Å
165	L	98.2	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-38.1	173.2	-74.6	165.8	0	0	0	112.1	L114 I119 R161 E168 K169 F295 F299	L114-L165 HydrophobicContact CD1-CD1 3.82Å; L114-L165 HydrophobicContact CD1-CD2 4.28Å; L114-L165 HydrophobicContact CD1-CG 3.82Å; L114-L165 HydrophobicContact CG-CD1 4.45Å; L114-L165 HydrophobicContact CG-CD2 4.04Å; L114-L165 HydrophobicContact CG-CG 4.1Å; I119-L165 HydrophobicContact CD1-CD1 3.59Å; I119-L165 HydrophobicContact CG1-CD1 4.04Å; R161-L165 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 3.15Å; L165-K169 PolarHBondContact O-N 3.38Å; L165-F295 HydrophobicContact CB-CE1 4.38Å; L165-F295 HydrophobicContact CB-CZ 4.16Å; L165-F295 HydrophobicContact CD2-CB 4.43Å; L165-F295 HydrophobicContact CD2-CD1 3.47Å; L165-F295 VanDerWaalsContact CD2-CD1 3.47Å; L165-F295 HydrophobicContact CD2-CD2 4.01Å; L165-F295 HydrophobicContact CD2-CE1 3.52Å; L165-F295 HydrophobicContact CD2-CE2 4.04Å; L165-F295 HydrophobicContact CD2-CG 3.72Å; L165-F295 HydrophobicContact CD2-CZ 3.79Å; L165-F295 WeakPolarHBondContact O-CZ 3.09Å; L165-F299 HydrophobicContact CD2-CE2 3.88Å; L165-F299 HydrophobicContact CD2-CZ 4.16Å
166	T	98.6	Very high	97.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-44.9	172.9	-66.1	0	0	0	0	111.6	V128 V130 V142 A162 I163 Y164 K169 L170 W284	V128-T166 HydrophobicContact CG2-CG2 4.39Å; V130-T166 HydrophobicContact CG2-CG2 3.66Å; V142-T166 HydrophobicContact CG1-CG2 4.24Å; A162-T166 WeakPolarHBondContact O-CB 3.33Å; A162-T166 PolarHBondContact O-N 3.07Å; A162-T166 VanDerWaalsContact O-N 3.1Å; A162-T166 PolarHBondContact O-OG1 3.05Å; I163-T166 WeakPolarHBondContact O-CB 3.37Å; I163-T166 PolarHBondContact O-N 3.21Å; Y164-T166 VanDerWaalsContact C-N 3.28Å; Y164-T166 PolarHBondContact O-N 3.47Å; T166-K169 PolarHBondContact O-N 3.27Å; T166-L170 HydrophobicContact CG2-CD1 3.9Å; T166-L170 WeakPolarHBondContact O-CB 3.26Å; T166-L170 WeakPolarHBondContact O-CG 3.37Å; T166-L170 PolarHBondContact O-N 3.29Å; T166-W284 HydrophobicContact CG2-CZ2 3.82Å; T166-W284 PolarHBondContact OG1-NE1 3.16Å; T166-W284 VanDerWaalsContact OG1-NE1 3.13Å
167	L	98.3	Very high	97.8	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-67.2	-38.9	178.1	-66.3	179.4	0	0	0	112.7	I163 Y164 L170 I171 I181 L210 F214 I216	I163-L167 HydrophobicContact CG2-CD1 4.07Å; I163-L167 HydrophobicContact CG2-CG 4.28Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3.33Å; Y164-L167 PolarHBondContact O-N 2.86Å; Y164-L167 VanDerWaalsContact O-N 3.11Å; L167-L170 PolarHBondContact O-N 3.46Å; L167-I171 WeakPolarHBondContact O-CB 3.29Å; L167-I171 WeakPolarHBondContact O-CG2 3.18Å; L167-I171 PolarHBondContact O-N 3.43Å; L167-I181 HydrophobicContact CD2-CD1 3.59Å; L167-L210 HydrophobicContact CD1-CD2 3.85Å; L167-F214 HydrophobicContact CB-CD1 4.29Å; L167-F214 HydrophobicContact CB-CE1 3.7Å; L167-F214 HydrophobicContact CB-CE2 4.31Å; L167-F214 HydrophobicContact CB-CZ 3.71Å; L167-F214 HydrophobicContact CD1-CD1 4.49Å; L167-I216 HydrophobicContact CD2-CG1 4.28Å; L167-I216 HydrophobicContact CD2-CG2 4.43Å
168	E	97.6	Very high	97.9	Very high	7 Å²	7	18.3 Å²	18.3	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-43.3	174.9	-72.8	-73.8	-161.5	0	0	111.9	Y100 R104 Y164 L165 L170 I171 F214 F295 F299	Y100-E168 VanDerWaalsContact CE2-OE1 3.31Å; Y100-E168 WeakPolarHBondContact CE2-OE1 3.4Å; Y100-E168 PolarHBondContact OH-OE1 3.36Å; R104-E168 IonicContact NH1-OE1 2.76Å; Y164-E168 HydrophobicContact CD1-CG 3.69Å; Y164-E168 HydrophobicContact CE1-CG 3.46Å; Y164-E168 VanDerWaalsContact CE1-CG 3.46Å; Y164-E168 WeakPolarHBondContact CE1-OE1 3.37Å; Y164-E168 WeakPolarHBondContact O-CG 3.2Å; Y164-E168 PolarHBondContact O-N 3.08Å; Y164-E168 PolarHBondContact OH-OE1 2.91Å; L165-E168 PolarHBondContact O-N 3.15Å; E168-L170 PolarHBondContact O-N 2.86Å; E168-I171 WeakPolarHBondContact O-CG2 3.31Å; E168-F214 HydrophobicContact CG-CE2 3.79Å; E168-F214 HydrophobicContact CG-CZ 3.96Å; E168-F295 HydrophobicContact CB-CE1 3.85Å; E168-F299 HydrophobicContact CG-CE1 4.09Å; E168-F299 HydrophobicContact CG-CZ 4.06Å
169	K	98.1	Very high	98	Very high	37 Å²	37	16.5 Å²	16.5	16%	0.161	8%	0.083	C	C	.	.	H	α-helix	trans	-65	-41	174.8	-163.9	68.4	-171.2	165.3	0	111.9	L165 T166 Q172 W284 L288 S291 D294 F295	L165-K169 PolarHBondContact O-N 3.38Å; T166-K169 PolarHBondContact O-N 3.27Å; K169-Q172 PolarHBondContact O-N 2.93Å; K169-W284 HydrophobicContact CB-CH2 4.4Å; K169-W284 HydrophobicContact CB-CZ2 4.31Å; K169-W284 HydrophobicContact CG-CH2 4.35Å; K169-L288 HydrophobicContact CB-CD2 3.94Å; K169-L288 HydrophobicContact CG-CD2 4.35Å; K169-S291 WeakPolarHBondContact CE-OG 3.34Å; K169-S291 PolarHBondContact NZ-OG 3.13Å; K169-D294 IonicContact NZ-OD2 2.77Å; K169-D294 PolarHBondContact NZ-OD2 3.32Å; K169-F295 HydrophobicContact CB-CZ 4.08Å; K169-F295 HydrophobicContact CD-CZ 4.41Å
170	L	98.4	Very high	98	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-67.1	-37.2	-178.7	-74.1	173.4	0	0	0	113.3	V130 H140 V142 T166 L167 E168 Q172 S173 T176 I181 W284	V130-L170 HydrophobicContact CG1-CD2 4.41Å; V130-L170 HydrophobicContact CG2-CD1 4.05Å; H140-L170 HydrophobicContact CB-CD2 3.94Å; V142-L170 HydrophobicContact CG2-CD1 3.68Å; T166-L170 HydrophobicContact CG2-CD1 3.9Å; T166-L170 WeakPolarHBondContact O-CB 3.26Å; T166-L170 WeakPolarHBondContact O-CG 3.37Å; T166-L170 PolarHBondContact O-N 3.29Å; L167-L170 PolarHBondContact O-N 3.46Å; E168-L170 PolarHBondContact O-N 2.86Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 3.14Å; L170-S173 PolarHBondContact O-N 2.9Å; L170-T176 HydrophobicContact CB-CG2 4.27Å; L170-T176 WeakPolarHBondContact O-CB 3.5Å; L170-T176 WeakPolarHBondContact O-CG2 3.17Å; L170-T176 PolarHBondContact O-OG1 2.92Å; L170-T176 VanDerWaalsContact O-OG1 3.07Å; L170-I181 HydrophobicContact CD1-CG2 4.41Å; L170-W284 HydrophobicContact CD2-CH2 3.6Å; L170-W284 HydrophobicContact CD2-CZ2 4.29Å; L170-W284 HydrophobicContact CD2-CZ3 4.26Å; L170-W284 HydrophobicContact CG-CH2 3.84Å; L170-W284 HydrophobicContact CG-CZ2 4.08Å
171	I	97.7	Very high	98.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-75.7	-11.3	-177.1	-160.3	64.9	0	0	0	113.7	R81 L167 E168 S173 Q177 F214 P215 I216	R81-I171 HydrophobicContact CB-CG1 4.27Å; R81-I171 HydrophobicContact CG-CG1 4.19Å; L167-I171 WeakPolarHBondContact O-CB 3.29Å; L167-I171 WeakPolarHBondContact O-CG2 3.18Å; L167-I171 PolarHBondContact O-N 3.43Å; E168-I171 WeakPolarHBondContact O-CG2 3.31Å; I171-S173 PolarHBondContact O-N 3.05Å; I171-Q177 HydrophobicContact CD1-CB 4.38Å; I171-Q177 HydrophobicContact CD1-CG 3.55Å; I171-Q177 HydrophobicContact CG1-CG 4.13Å; I171-Q177 PolarHBondContact O-NE2 3.1Å; I171-F214 HydrophobicContact CB-CE1 4.21Å; I171-F214 HydrophobicContact CG2-CE1 4.1Å; I171-F214 HydrophobicContact CG2-CZ 3.97Å; I171-P215 WeakPolarHBondContact CD1-O 3.15Å; I171-P215 HydrophobicContact CG1-CG 4.29Å; I171-I216 HydrophobicContact CD1-CD1 3.75Å
172	Q	95.6	Very high	98.2	Very high	62 Å²	62	15.2 Å²	15.2	29%	0.29	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.3	171.4	-70.5	178.4	-17.3	0	0	111.8	K169 L170 D298	K169-Q172 PolarHBondContact O-N 2.93Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 3.14Å; Q172-D298 PolarHBondContact NE2-OD2 3.37Å
173	S	97.6	Very high	98.2	Very high	45 Å²	45	16.1 Å²	16.1	32%	0.315	8%	0.081	S	C	.	.	S	Bend	trans	-77	129.1	176	172.7	0	0	0	0	112.5	L170 I171 E175 T176 Q177	L170-S173 PolarHBondContact O-N 2.9Å; I171-S173 PolarHBondContact O-N 3.05Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.94Å; S173-E175 PolarHBondContact OG-N 2.91Å; S173-T176 PolarHBondContact O-N 3.48Å; S173-T176 PolarHBondContact OG-N 3.2Å; S173-Q177 WeakPolarHBondContact O-CG 3.12Å; S173-Q177 PolarHBondContact O-N 3.45Å
174	E	98.4	Very high	98.2	Very high	17 Å²	17	14.4 Å²	14.4	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-34.8	172.1	-62.7	-162.8	-129.4	0	0	112.3	Y29 S32 L33 R84 T176 Q177 V178	Y29-E174 VanDerWaalsContact OH-CD 3.25Å; Y29-E174 PolarHBondContact OH-OE1 3.32Å; Y29-E174 PolarHBondContact OH-OE2 3.02Å; S32-E174 PolarHBondContact N-OE1 3.06Å; S32-E174 VanDerWaalsContact OG-CG 3.23Å; S32-E174 WeakPolarHBondContact OG-CG 3.2Å; S32-E174 PolarHBondContact OG-OE1 2.96Å; L33-E174 HydrophobicContact CD2-CB 3.6Å; L33-E174 HydrophobicContact CG-CB 4.05Å; R84-E174 IonicContact CZ-OE2 2.73Å; R84-E174 IonicContact NH1-OE2 3.59Å; R84-E174 PolarHBondContact NH1-OE2 3.39Å; R84-E174 IonicContact NH2-OE2 3.57Å; R84-E174 PolarHBondContact NH2-OE2 3.04Å; E174-T176 VanDerWaalsContact C-N 3.32Å; E174-T176 PolarHBondContact O-N 3.15Å; E174-Q177 WeakPolarHBondContact O-CB 3.3Å; E174-Q177 PolarHBondContact O-N 3.4Å; E174-Q177 VanDerWaalsContact O-N 3.13Å; E174-V178 PolarHBondContact O-N 3.37Å
175	E	98.5	Very high	98.2	Very high	80 Å²	80	14.4 Å²	14.4	37%	0.374	7%	0.074	S	C	.	.	H	α-helix	trans	-63.2	-40.9	177.2	-52.8	-167.6	-165.6	0	0	111	L33 L37 S173 Q177 V178 N179	L33-E175 HydrophobicContact CD2-CG 4.47Å; L37-E175 HydrophobicContact CD1-CB 3.91Å; L37-E175 HydrophobicContact CD1-CG 3.57Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.94Å; S173-E175 PolarHBondContact OG-N 2.91Å; E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.11Å; E175-V178 PolarHBondContact O-N 3.39Å; E175-N179 WeakPolarHBondContact O-CB 3.38Å; E175-N179 PolarHBondContact O-N 3.08Å
176	T	98.6	Very high	98.2	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-37.5	173.5	-56.6	0	0	0	0	111.8	L170 S173 E174 V178 G180 I181 I216	L170-T176 HydrophobicContact CB-CG2 4.27Å; L170-T176 WeakPolarHBondContact O-CB 3.5Å; L170-T176 WeakPolarHBondContact O-CG2 3.17Å; L170-T176 PolarHBondContact O-OG1 2.92Å; L170-T176 VanDerWaalsContact O-OG1 3.07Å; S173-T176 PolarHBondContact O-N 3.48Å; S173-T176 PolarHBondContact OG-N 3.2Å; E174-T176 VanDerWaalsContact C-N 3.32Å; E174-T176 PolarHBondContact O-N 3.15Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 2.77Å; T176-G180 VanDerWaalsContact O-CA 3.22Å; T176-G180 WeakPolarHBondContact O-CA 3.48Å; T176-G180 PolarHBondContact O-N 3.29Å; T176-I181 HydrophobicContact CG2-CG2 3.85Å; T176-I216 HydrophobicContact CG2-CD1 3.77Å
177	Q	98.7	Very high	98	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.033	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-36.1	175.6	-61.9	160.6	27.6	0	0	111.1	R84 I171 S173 E174 E175 R217	R84-Q177 HydrophobicContact CB-CB 4.3Å; R84-Q177 VanDerWaalsContact CD-OE1 3.25Å; I171-Q177 HydrophobicContact CD1-CB 4.38Å; I171-Q177 HydrophobicContact CD1-CG 3.55Å; I171-Q177 HydrophobicContact CG1-CG 4.13Å; I171-Q177 PolarHBondContact O-NE2 3.1Å; S173-Q177 WeakPolarHBondContact O-CG 3.12Å; S173-Q177 PolarHBondContact O-N 3.45Å; E174-Q177 WeakPolarHBondContact O-CB 3.3Å; E174-Q177 PolarHBondContact O-N 3.4Å; E174-Q177 VanDerWaalsContact O-N 3.13Å; E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.11Å; Q177-R217 VanDerWaalsContact O-CD 3.29Å; Q177-R217 WeakPolarHBondContact O-CD 3.48Å
178	V	98.6	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-84.4	-45.6	-179.2	176.6	0	0	0	0	113.8	L33 L37 K40 A41 L45 E174 E175 T176 R217	L33-V178 HydrophobicContact CD1-CG2 3.71Å; L33-V178 HydrophobicContact CD2-CB 4.47Å; L33-V178 HydrophobicContact CD2-CG2 3.81Å; L33-V178 HydrophobicContact CG-CG2 4.43Å; L37-V178 HydrophobicContact CD2-CG1 4.25Å; K40-V178 HydrophobicContact CB-CG1 4.25Å; K40-V178 HydrophobicContact CD-CG1 4.35Å; K40-V178 HydrophobicContact CG-CG1 4.24Å; A41-V178 HydrophobicContact CB-CG1 4.11Å; A41-V178 HydrophobicContact CB-CG2 3.93Å; L45-V178 HydrophobicContact CD1-CG2 4.15Å; E174-V178 PolarHBondContact O-N 3.37Å; E175-V178 PolarHBondContact O-N 3.39Å; T176-V178 VanDerWaalsContact C-N 3.27Å; T176-V178 PolarHBondContact O-N 2.77Å; V178-R217 PolarHBondContact O-NH1 2.92Å
179	N	98.6	Very high	97.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-81.2	-36.4	-178	-69.4	-33.4	0	0	0	112	L37 K40 E137 G138 R139 E175 R217 K219	L37-N179 WeakPolarHBondContact CD2-OD1 3.34Å; K40-N179 WeakPolarHBondContact CD-OD1 3.35Å; K40-N179 WeakPolarHBondContact CE-OD1 3.4Å; K40-N179 PolarHBondContact NZ-OD1 3.35Å; E137-N179 PolarHBondContact O-OD1 2.94Å; G138-N179 WeakPolarHBondContact O-CB 3.44Å; G138-N179 PolarHBondContact O-ND2 3.03Å; R139-N179 HydrophobicContact CG-CB 3.94Å; E175-N179 WeakPolarHBondContact O-CB 3.38Å; E175-N179 PolarHBondContact O-N 3.08Å; N179-R217 PolarHBondContact O-NH1 3.15Å; N179-K219 WeakPolarHBondContact O-CD 3.5Å; N179-K219 VanDerWaalsContact O-CG 3.29Å; N179-K219 WeakPolarHBondContact O-CG 3.48Å
180	G	98.3	Very high	97.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.			trans	82.7	-166.1	-170.3	0	0	0	0	0	113	R139 T176 R217	R139-G180 WeakPolarHBondContact CB-O 3.37Å; T176-G180 VanDerWaalsContact O-CA 3.22Å; T176-G180 WeakPolarHBondContact O-CA 3.48Å; T176-G180 PolarHBondContact O-N 3.29Å; G180-R217 CarbonylContact C-O 3.41Å; G180-R217 WeakPolarHBondContact CA-O 3.32Å
181	I	98.6	Very high	96.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.2	-179.9	64.3	167.9	0	0	0	111.8	H140 V142 L167 L170 T176 I183 I216 R217 I218 K219	H140-I181 HydrophobicContact CB-CG2 4.33Å; V142-I181 HydrophobicContact CG2-CD1 4Å; L167-I181 HydrophobicContact CD2-CD1 3.59Å; L170-I181 HydrophobicContact CD1-CG2 4.41Å; T176-I181 HydrophobicContact CG2-CG2 3.85Å; I181-I183 HydrophobicContact CD1-CG1 4.44Å; I181-I216 HydrophobicContact CD1-CG1 3.76Å; I181-I216 HydrophobicContact CG1-CD1 4.49Å; I181-I216 HydrophobicContact CG1-CG1 3.83Å; I181-I216 HydrophobicContact CG2-CD1 3.92Å; I181-I216 HydrophobicContact CG2-CG1 4.2Å; I181-R217 PolarHBondContact N-O 2.97Å; I181-I218 HydrophobicContact CD1-CG1 4.48Å; I181-I218 HydrophobicContact CG1-CG1 4.41Å; I181-K219 PolarHBondContact O-N 3.14Å
182	V	98.6	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.7	166.4	173.6	0	0	0	0	108.4	D135 R139 H140 V141 V142 A220 N222 I263	D135-V182 WeakPolarHBondContact OD2-CG2 3.1Å; R139-V182 HydrophobicContact CB-CG2 4.32Å; H140-V182 PolarHBondContact O-N 3.29Å; V141-V182 CarbonylContact C-O 3.58Å; V141-V182 WeakPolarHBondContact CA-O 3.15Å; V141-V182 HydrophobicContact CG2-CB 4.42Å; V142-V182 PolarHBondContact N-O 2.96Å; V182-A220 HydrophobicContact CG1-CB 4.2Å; V182-A220 HydrophobicContact CG2-CB 4.33Å; V182-N222 WeakPolarHBondContact CG1-ND2 3.45Å; V182-I263 HydrophobicContact CG1-CD1 3.76Å; V182-I263 HydrophobicContact CG1-CG1 4.23Å
183	I	98.7	Very high	95	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.1	170.8	-60.8	176	0	0	0	108.2	V142 I144 I181 I218 A220 V221 N222	V142-I183 WeakPolarHBondContact O-CA 3.32Å; I144-I183 HydrophobicContact CD1-CG2 3.9Å; I144-I183 HydrophobicContact CG1-CG2 4.37Å; I181-I183 HydrophobicContact CD1-CG1 4.44Å; I183-I218 HydrophobicContact CD1-CD1 4.2Å; I183-I218 HydrophobicContact CD1-CG1 4.48Å; I183-I218 HydrophobicContact CD1-CG2 4.33Å; I183-A220 PolarHBondContact N-O 2.72Å; I183-V221 HydrophobicContact CB-CG1 4.24Å; I183-V221 HydrophobicContact CB-CG2 4.35Å; I183-V221 HydrophobicContact CD1-CG2 4.32Å; I183-V221 HydrophobicContact CG2-CG1 4.22Å; I183-N222 PolarHBondContact O-N 3.26Å
184	L	98.7	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.6	166.9	174.2	56.4	0	0	0	107.9	V141 V142 C143 I144 N222 I224 L259 I263 L268 Y272	V141-L184 HydrophobicContact CG1-CB 3.94Å; V142-L184 PolarHBondContact O-N 2.87Å; C143-L184 CarbonylContact C-O 3.58Å; C143-L184 VanDerWaalsContact CA-O 3.3Å; C143-L184 WeakPolarHBondContact CA-O 2.95Å; I144-L184 PolarHBondContact N-O 3.41Å; L184-N222 CarbonylContact C-O 3.48Å; L184-N222 WeakPolarHBondContact CA-O 3.31Å; L184-N222 HydrophobicContact CD1-CB 4.2Å; L184-I224 HydrophobicContact CD1-CD1 4.17Å; L184-I224 HydrophobicContact CD1-CG1 4.26Å; L184-I224 HydrophobicContact CD1-CG2 4.1Å; L184-L259 HydrophobicContact CD1-CD1 3.74Å; L184-L259 HydrophobicContact CD1-CD2 4.26Å; L184-I263 HydrophobicContact CB-CD1 4.23Å; L184-L268 HydrophobicContact CD2-CD2 3.73Å; L184-Y272 HydrophobicContact CD2-CD2 3.5Å; L184-Y272 HydrophobicContact CD2-CE2 3.81Å; L184-Y272 HydrophobicContact CD2-CG 4.15Å
185	A	97.9	Very high	93.8	Very high	6 Å²	6	31.7 Å²	31.7	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.3	-178.9	0	0	0	0	0	111.1	I144 Y187 N222 I223 I224	I144-A185 CarbonylContact O-C 3.02Å; I144-A185 VanDerWaalsContact O-CA 3.31Å; I144-A185 WeakPolarHBondContact O-CA 3.38Å; A185-Y187 HydrophobicContact CB-CD2 4.05Å; A185-Y187 HydrophobicContact CB-CE2 3.7Å; A185-N222 PolarHBondContact N-O 3.35Å; A185-I223 HydrophobicContact CB-CG1 4.39Å; A185-I223 WeakPolarHBondContact O-CA 3.28Å; A185-I224 PolarHBondContact O-N 2.85Å
186	D	97.5	Very high	93.1	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.08	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.3	175.6	-177.8	11.3	0	0	0	110.4	I144 R145 P146 K188 I224 N225 Y272	I144-D186 PolarHBondContact O-N 3.07Å; R145-D186 HydrophobicContact CG-CB 4.38Å; P146-D186 WeakPolarHBondContact CD-O 3.31Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.16Å; D186-I224 HydrophobicContact CB-CD1 4.17Å; D186-I224 HydrophobicContact CB-CG1 3.97Å; D186-N225 WeakPolarHBondContact OD1-CB 3.33Å; D186-N225 PolarHBondContact OD1-ND2 3.09Å; D186-Y272 HydrophobicContact CB-CE1 4.01Å
187	Y	95.3	Very high	92.5	Very high	35 Å²	35	36.5 Å²	36.5	14%	0.137	22%	0.216	C	C	.	.			trans	-92.1	9.9	-178.9	-86	-102.8	0	0	0	113.8	P146 A185 G189 V190 I223 I224 N225 F230 I233	P146-Y187 HydrophobicContact CG-CE1 4.4Å; P146-Y187 HydrophobicContact CG-CE2 4.41Å; A185-Y187 HydrophobicContact CB-CD2 4.05Å; A185-Y187 HydrophobicContact CB-CE2 3.7Å; Y187-G189 PolarHBondContact O-N 3.24Å; Y187-V190 HydrophobicContact CD1-CB 4.07Å; Y187-V190 HydrophobicContact CD1-CG1 4.1Å; Y187-V190 HydrophobicContact CD1-CG2 3.88Å; Y187-V190 HydrophobicContact CG-CG2 4.34Å; Y187-V190 WeakPolarHBondContact O-CB 3.22Å; Y187-V190 WeakPolarHBondContact O-CG2 3.35Å; Y187-V190 PolarHBondContact O-N 2.86Å; Y187-I223 HydrophobicContact CD2-CG2 3.62Å; Y187-I223 HydrophobicContact CE2-CD1 4.39Å; Y187-I223 HydrophobicContact CE2-CG2 3.99Å; Y187-I223 HydrophobicContact CG-CG2 4.4Å; Y187-I224 PolarHBondContact N-O 3.21Å; Y187-N225 CarbonylContact C-O 3.59Å; Y187-F230 AromaticContact CD1-CD2 3.95Å; Y187-F230 HydrophobicContact CD1-CD2 3.95Å; Y187-F230 HydrophobicContact CD1-CE2 4.13Å; Y187-F230 HydrophobicContact CD2-CE2 4.32Å; Y187-F230 HydrophobicContact CE1-CD2 4Å; Y187-F230 AromaticContact CE1-CE2 3.81Å; Y187-F230 HydrophobicContact CE1-CE2 3.81Å; Y187-F230 AromaticContact CE2-CE2 3.98Å; Y187-F230 HydrophobicContact CE2-CE2 3.98Å; Y187-F230 HydrophobicContact CG-CD2 4.29Å; Y187-F230 HydrophobicContact CG-CE2 4.37Å; Y187-F230 AromaticContact CZ-CE2 3.72Å; Y187-I233 HydrophobicContact CD1-CD1 4.46Å; Y187-I233 HydrophobicContact CE1-CD1 4.31Å
188	K	93.8	Very high	91.9	Very high	135 Å²	135	38.2 Å²	38.2	59%	0.587	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	119.4	177.9	-173.1	172.9	-177.7	175.2	0	111.6	D147 D186 V190 N225	D147-K188 WeakPolarHBondContact CB-O 3.46Å; D186-K188 WeakPolarHBondContact OD1-CB 3.39Å; D186-K188 PolarHBondContact OD1-N 3.16Å; K188-V190 VanDerWaalsContact C-N 3.34Å; K188-N225 HydrophobicContact CB-CB 3.65Å; K188-N225 HydrophobicContact CG-CB 4.4Å
189	G	90.1	Very high	91.4	Very high	67 Å²	67	39 Å²	39	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	5.8	179	0	0	0	0	0	115.4	Y187 S191	Y187-G189 PolarHBondContact O-N 3.24Å; G189-S191 PolarHBondContact O-N 3.26Å
190	V	90.7	Very high	91.1	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	25%	0.254	C	S	.	.			trans	-70.5	120.4	171.2	177.3	0	0	0	0	110.1	P146 Y187 K188 I233	P146-V190 HydrophobicContact CB-CG2 3.88Å; Y187-V190 HydrophobicContact CD1-CB 4.07Å; Y187-V190 HydrophobicContact CD1-CG1 4.1Å; Y187-V190 HydrophobicContact CD1-CG2 3.88Å; Y187-V190 HydrophobicContact CG-CG2 4.34Å; Y187-V190 WeakPolarHBondContact O-CB 3.22Å; Y187-V190 WeakPolarHBondContact O-CG2 3.35Å; Y187-V190 PolarHBondContact O-N 2.86Å; K188-V190 VanDerWaalsContact C-N 3.34Å; V190-I233 HydrophobicContact CG1-CD1 4.27Å
191	S	85.9	Confident	90.8	Very high	57 Å²	57	48.9 Å²	48.9	40%	0.399	28%	0.283	S	S	.	.			trans	-93.8	160.2	177	73.8	0	0	0	0	112.2	G189 S193 K194 A195	G189-S191 PolarHBondContact O-N 3.26Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 2.9Å; S191-K194 PolarHBondContact O-N 3.26Å; S191-K194 PolarHBondContact OG-N 3.41Å; S191-A195 PolarHBondContact O-N 3.37Å
192	L	79.3	Confident	90.5	Very high	104 Å²	104	50 Å²	50	55%	0.545	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-35.2	177.4	-174.3	60.5	0	0	0	111.8	A195 S196 I229	L192-A195 CarbonylContact O-C 3.5Å; L192-A195 PolarHBondContact O-N 2.92Å; L192-S196 PolarHBondContact O-N 2.91Å; L192-S196 PolarHBondContact O-OG 3.32Å; L192-I229 VanDerWaalsContact CA-CD1 3.49Å; L192-I229 HydrophobicContact CB-CD1 3.69Å; L192-I229 HydrophobicContact CB-CG2 4.49Å; L192-I229 HydrophobicContact CD1-CB 4.49Å; L192-I229 HydrophobicContact CD1-CD1 4.32Å
193	S	83.6	Confident	90.3	Very high	81 Å²	81	50 Å²	50	57%	0.566	29%	0.289	S	S	*	.	H	α-helix	trans	-60.4	-44.8	172.8	165.1	0	0	0	0	111.6	S191 A195 S196 H197	S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 2.9Å; S193-A195 VanDerWaalsContact C-N 3.34Å; S193-A195 PolarHBondContact O-N 2.67Å; S193-S196 PolarHBondContact O-N 3.09Å; S193-S196 PolarHBondContact O-OG 2.85Å; S193-H197 PolarHBondContact O-CD2 3.45Å
194	K	86.4	Confident	90.1	Very high	29 Å²	29	55.3 Å²	55.3	13%	0.126	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-42.7	173.9	-170.7	174.7	-59.1	-162.9	0	111.3	P146 D147 W149 P151 S191 S196 H197	P146-K194 VanDerWaalsContact O-CD 3.26Å; P146-K194 WeakPolarHBondContact O-CD 3.39Å; D147-K194 PolarHBondContact O-NZ 3.23Å; W149-K194 HydrophobicContact CE3-CD 4.04Å; W149-K194 HydrophobicContact CE3-CG 3.69Å; W149-K194 HydrophobicContact CZ3-CG 3.79Å; W149-K194 WeakPolarHBondContact CZ3-O 3.48Å; W149-K194 WeakPolarHBondContact O-CD 3.25Å; W149-K194 WeakPolarHBondContact O-CE 3.01Å; W149-K194 PolarHBondContact O-NZ 3.17Å; P151-K194 HydrophobicContact CG-CG 4.05Å; S191-K194 PolarHBondContact O-N 3.26Å; S191-K194 PolarHBondContact OG-N 3.41Å; K194-S196 PolarHBondContact O-N 2.73Å; K194-H197 PolarHBondContact O-N 2.71Å
195	A	83.1	Confident	89.9	Confident	12 Å²	12	57.6 Å²	57.6	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-31.4	179.8	0	0	0	0	0	114	S191 L192 S193 H197 F198 I233	S191-A195 PolarHBondContact O-N 3.37Å; L192-A195 CarbonylContact O-C 3.5Å; L192-A195 PolarHBondContact O-N 2.92Å; S193-A195 VanDerWaalsContact C-N 3.34Å; S193-A195 PolarHBondContact O-N 2.67Å; A195-H197 PolarHBondContact O-N 2.82Å; A195-F198 CarbonylContact O-C 3.4Å; A195-F198 WeakPolarHBondContact O-CA 3.36Å; A195-F198 WeakPolarHBondContact O-CB 3.25Å; A195-F198 PolarHBondContact O-N 3.28Å; A195-I233 HydrophobicContact CB-CD1 3.62Å; A195-I233 HydrophobicContact CB-CG1 3.79Å
196	S	83.4	Confident	89.8	Confident	79 Å²	79	58.5 Å²	58.5	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-66.8	-23.5	179.2	51.1	0	0	0	0	113.8	L192 S193 K194 F198	L192-S196 PolarHBondContact O-N 2.91Å; L192-S196 PolarHBondContact O-OG 3.32Å; S193-S196 PolarHBondContact O-N 3.09Å; S193-S196 PolarHBondContact O-OG 2.85Å; K194-S196 PolarHBondContact O-N 2.73Å; S196-F198 PolarHBondContact O-N 2.94Å
197	H	87.1	Confident	89.7	Confident	105 Å²	105	58.4 Å²	58.4	49%	0.486	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20	169.5	-69	-85.2	0	0	0	112.5	W149 S193 K194 A195 G199	W149-H197 HydrophobicContact CH2-CB 3.49Å; W149-H197 VanDerWaalsContact CH2-CB 3.49Å; W149-H197 HydrophobicContact CZ2-CB 4.18Å; W149-H197 HydrophobicContact CZ3-CB 4.4Å; S193-H197 PolarHBondContact O-CD2 3.45Å; K194-H197 PolarHBondContact O-N 2.71Å; A195-H197 PolarHBondContact O-N 2.82Å; H197-G199 VanDerWaalsContact C-N 3.29Å; H197-G199 PolarHBondContact O-N 2.88Å
198	F	86.3	Confident	89.6	Confident	42 Å²	42	58 Å²	58	18%	0.184	33%	0.332	C	S	.	.	S	Bend	trans	-90.9	62.2	169.8	-167.4	-101.7	0	0	0	110.5	I156 A195 S196 V202 A203 V206 I237	I156-F198 HydrophobicContact CG1-CD2 4.02Å; A195-F198 CarbonylContact O-C 3.4Å; A195-F198 WeakPolarHBondContact O-CA 3.36Å; A195-F198 WeakPolarHBondContact O-CB 3.25Å; A195-F198 PolarHBondContact O-N 3.28Å; S196-F198 PolarHBondContact O-N 2.94Å; F198-V202 HydrophobicContact CD2-CB 4.26Å; F198-V202 HydrophobicContact CD2-CG1 3.71Å; F198-V202 HydrophobicContact CE2-CB 4.35Å; F198-V202 HydrophobicContact CE2-CG1 3.6Å; F198-A203 HydrophobicContact CD1-CB 4.35Å; F198-A203 HydrophobicContact CE1-CB 3.73Å; F198-A203 HydrophobicContact CZ-CB 4.22Å; F198-V206 HydrophobicContact CE2-CG2 4.12Å; F198-V206 HydrophobicContact CZ-CB 4.36Å; F198-V206 HydrophobicContact CZ-CG2 4.3Å; F198-I237 HydrophobicContact CE1-CD1 4.04Å; F198-I237 HydrophobicContact CE1-CG1 4.04Å
199	G	88.2	Confident	89.7	Confident	17 Å²	17	52 Å²	52	18%	0.175	31%	0.307	C	S	.	.			trans	-70	171.2	-177.3	0	0	0	0	0	114.5	H197 F201 V202 A203	H197-G199 VanDerWaalsContact C-N 3.29Å; H197-G199 PolarHBondContact O-N 2.88Å; G199-F201 PolarHBondContact O-N 2.75Å; G199-F201 VanDerWaalsContact O-N 3.07Å; G199-V202 PolarHBondContact O-N 2.82Å; G199-A203 PolarHBondContact O-N 3.46Å
200	P	91.1	Very high	89.8	Confident	76 Å²	76	50.5 Å²	50.5	49%	0.494	28%	0.283	S	S	.	.	H	α-helix	trans	-54.4	-32.1	-175.4	-26	32.6	0	0	0	115.2	K204 I236 F240	P200-K204 VanDerWaalsContact O-CB 3.3Å; P200-K204 WeakPolarHBondContact O-CB 3.21Å; P200-K204 PolarHBondContact O-N 2.71Å; P200-I236 HydrophobicContact CB-CG2 4.31Å; P200-I236 HydrophobicContact CG-CG2 4.02Å; P200-F240 HydrophobicContact CB-CE2 4.33Å; P200-F240 HydrophobicContact CB-CZ 4.32Å; P200-F240 WeakPolarHBondContact O-CE2 3.05Å
201	F	92.6	Very high	89.8	Confident	137 Å²	137	51 Å²	51	60%	0.601	28%	0.284	S	S	*	.	H	α-helix	trans	-65.4	-46.4	177	-179.8	-101.1	0	0	0	112.5	G199 K204 K205	G199-F201 PolarHBondContact O-N 2.75Å; G199-F201 VanDerWaalsContact O-N 3.07Å; F201-K204 PolarHBondContact O-N 2.74Å; F201-K205 HydrophobicContact CE1-CD 4.27Å; F201-K205 HydrophobicContact CZ-CD 4.4Å; F201-K205 VanDerWaalsContact CZ-CE 3.46Å; F201-K205 PolarHBondContact O-N 3.17Å; F201-K205 VanDerWaalsContact O-N 3.09Å
202	V	93.3	Very high	90.2	Very high	23 Å²	23	50.5 Å²	50.5	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-44	177.1	-175	0	0	0	0	109.6	W107 I156 I160 F198 G199 K204 K205 V206	W107-V202 HydrophobicContact CH2-CG1 4.16Å; W107-V202 HydrophobicContact CZ2-CG1 4.32Å; I156-V202 HydrophobicContact CG2-CG1 4.08Å; I156-V202 HydrophobicContact CG2-CG2 4.42Å; I160-V202 HydrophobicContact CD1-CG1 3.77Å; F198-V202 HydrophobicContact CD2-CB 4.26Å; F198-V202 HydrophobicContact CD2-CG1 3.71Å; F198-V202 HydrophobicContact CE2-CB 4.35Å; F198-V202 HydrophobicContact CE2-CG1 3.6Å; G199-V202 PolarHBondContact O-N 2.82Å; V202-K204 PolarHBondContact O-N 2.66Å; V202-K205 PolarHBondContact O-N 3.34Å; V202-V206 HydrophobicContact CG1-CG2 4.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.36Å; V202-V206 PolarHBondContact O-N 3.43Å
203	A	93.8	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-47.3	174.9	0	0	0	0	0	111.9	F198 G199 K205 V206 I207 I236 I237 F240	F198-A203 HydrophobicContact CD1-CB 4.35Å; F198-A203 HydrophobicContact CE1-CB 3.73Å; F198-A203 HydrophobicContact CZ-CB 4.22Å; G199-A203 PolarHBondContact O-N 3.46Å; A203-K205 PolarHBondContact O-N 2.77Å; A203-V206 PolarHBondContact O-N 2.96Å; A203-I207 WeakPolarHBondContact O-CB 3.48Å; A203-I207 VanDerWaalsContact O-CG1 3.29Å; A203-I207 WeakPolarHBondContact O-CG1 3.23Å; A203-I207 PolarHBondContact O-N 3.44Å; A203-I236 HydrophobicContact CB-CG2 3.91Å; A203-I237 HydrophobicContact CB-CG1 4.3Å; A203-F240 HydrophobicContact CB-CD2 4.19Å; A203-F240 HydrophobicContact CB-CE2 4.19Å
204	K	94.6	Very high	91.6	Very high	132 Å²	132	41.7 Å²	41.7	57%	0.574	22%	0.224	S	C	*	.	H	α-helix	trans	-58.6	-46.1	176.3	-174.3	178.8	178.8	-178.1	0	112.2	P200 F201 V202 G208 F240	P200-K204 VanDerWaalsContact O-CB 3.3Å; P200-K204 WeakPolarHBondContact O-CB 3.21Å; P200-K204 PolarHBondContact O-N 2.71Å; F201-K204 PolarHBondContact O-N 2.74Å; V202-K204 PolarHBondContact O-N 2.66Å; K204-G208 PolarHBondContact O-N 3.01Å; K204-F240 HydrophobicContact CB-CD1 3.92Å; K204-F240 HydrophobicContact CB-CD2 4.12Å; K204-F240 HydrophobicContact CB-CE1 3.79Å; K204-F240 HydrophobicContact CB-CE2 3.99Å; K204-F240 HydrophobicContact CB-CG 4.09Å; K204-F240 HydrophobicContact CB-CZ 3.83Å; K204-F240 HydrophobicContact CD-CD1 4.28Å; K204-F240 HydrophobicContact CD-CE1 3.92Å; K204-F240 HydrophobicContact CG-CD1 3.8Å; K204-F240 HydrophobicContact CG-CE1 3.84Å; K204-F240 HydrophobicContact CG-CG 4.32Å; K204-F240 HydrophobicContact CG-CZ 4.39Å
205	K	94.9	Very high	92.1	Very high	47 Å²	47	40.4 Å²	40.4	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-47.4	178.3	-73.5	-160.7	178.3	-170.8	0	112.1	S106 W107 F201 V202 A203 G208 I209	S106-K205 PolarHBondContact O-NZ 3.01Å; W107-K205 HydrophobicContact CB-CD 4.38Å; W107-K205 HydrophobicContact CD2-CB 4.4Å; W107-K205 HydrophobicContact CD2-CD 3.41Å; W107-K205 VanDerWaalsContact CD2-CD 3.41Å; W107-K205 HydrophobicContact CE3-CB 3.77Å; W107-K205 HydrophobicContact CE3-CD 3.6Å; W107-K205 HydrophobicContact CE3-CG 4.33Å; W107-K205 HydrophobicContact CG-CD 3.8Å; W107-K205 VanDerWaalsContact CG-NZ 3.34Å; W107-K205 HydrophobicContact CH2-CB 3.64Å; W107-K205 HydrophobicContact CH2-CD 4.15Å; W107-K205 HydrophobicContact CZ2-CB 4.32Å; W107-K205 HydrophobicContact CZ2-CD 4.04Å; W107-K205 HydrophobicContact CZ3-CB 3.36Å; W107-K205 HydrophobicContact CZ3-CD 3.98Å; W107-K205 HydrophobicContact CZ3-CG 4.33Å; F201-K205 HydrophobicContact CE1-CD 4.27Å; F201-K205 HydrophobicContact CZ-CD 4.4Å; F201-K205 VanDerWaalsContact CZ-CE 3.46Å; F201-K205 PolarHBondContact O-N 3.17Å; F201-K205 VanDerWaalsContact O-N 3.09Å; V202-K205 PolarHBondContact O-N 3.34Å; A203-K205 PolarHBondContact O-N 2.77Å; K205-G208 PolarHBondContact O-N 3.26Å; K205-I209 WeakPolarHBondContact O-CG1 3.42Å; K205-I209 PolarHBondContact O-N 3.34Å
206	V	95	Very high	92.8	Very high	25 Å²	25	40.3 Å²	40.3	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-47.3	179.1	172.5	0	0	0	0	111.3	W107 I160 F198 V202 A203 G208 I209 L210	W107-V206 HydrophobicContact CH2-CG2 3.91Å; W107-V206 HydrophobicContact CZ3-CG2 4.2Å; I160-V206 HydrophobicContact CD1-CG2 3.77Å; I160-V206 HydrophobicContact CG1-CG2 4.06Å; I160-V206 HydrophobicContact CG2-CG2 4.47Å; F198-V206 HydrophobicContact CE2-CG2 4.12Å; F198-V206 HydrophobicContact CZ-CB 4.36Å; F198-V206 HydrophobicContact CZ-CG2 4.3Å; V202-V206 HydrophobicContact CG1-CG2 4.25Å; V202-V206 WeakPolarHBondContact O-CG2 3.36Å; V202-V206 PolarHBondContact O-N 3.43Å; A203-V206 PolarHBondContact O-N 2.96Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 3.13Å; V206-I209 PolarHBondContact O-N 2.87Å; V206-L210 HydrophobicContact CG1-CD1 3.97Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 WeakPolarHBondContact O-CG 3.36Å; V206-L210 PolarHBondContact O-N 3.48Å
207	I	94.4	Very high	93.5	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-33.7	178	-65.1	-52.9	0	0	0	111.7	A203 L210 Q211 I237 F240 L241	A203-I207 WeakPolarHBondContact O-CB 3.48Å; A203-I207 VanDerWaalsContact O-CG1 3.29Å; A203-I207 WeakPolarHBondContact O-CG1 3.23Å; A203-I207 PolarHBondContact O-N 3.44Å; I207-L210 HydrophobicContact CD1-CD1 4.44Å; I207-L210 PolarHBondContact O-N 3.38Å; I207-Q211 HydrophobicContact CG2-CG 4.03Å; I207-Q211 VanDerWaalsContact CG2-NE2 3.25Å; I207-Q211 WeakPolarHBondContact O-CB 3.39Å; I207-Q211 VanDerWaalsContact O-CG 3.24Å; I207-Q211 WeakPolarHBondContact O-CG 3.44Å; I207-Q211 PolarHBondContact O-N 3.05Å; I207-I237 HydrophobicContact CD1-CG2 3.85Å; I207-I237 HydrophobicContact CG1-CG2 3.86Å; I207-F240 HydrophobicContact CB-CB 4.05Å; I207-F240 HydrophobicContact CG1-CB 4.48Å; I207-F240 HydrophobicContact CG2-CB 3.8Å; I207-F240 WeakPolarHBondContact CG2-O 3.31Å; I207-L241 HydrophobicContact CD1-CD2 3.7Å; I207-L241 HydrophobicContact CG1-CD2 4.18Å; I207-L241 HydrophobicContact CG2-CD2 3.92Å
208	G	94.5	Very high	94	Very high	27 Å²	27	33.5 Å²	33.5	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-56.4	-49.6	170.4	0	0	0	0	0	112.3	K204 K205 V206 D212 G213	K204-G208 PolarHBondContact O-N 3.01Å; K205-G208 PolarHBondContact O-N 3.26Å; V206-G208 VanDerWaalsContact C-N 3.33Å; V206-G208 PolarHBondContact O-N 3.13Å; G208-D212 CarbonylContact O-C 3.51Å; G208-D212 PolarHBondContact O-N 2.97Å; G208-G213 PolarHBondContact O-N 3.44Å; G208-G213 VanDerWaalsContact O-N 3.08Å
209	I	94.5	Very high	94.5	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.046	18%	0.175	C	C	.	.	I	π-helix	trans	-59.7	-55.1	175.9	-65.8	166.4	0	0	0	110.7	C103 W107 F111 Y164 K205 V206 Q211 G213 F214	C103-I209 HydrophobicContact CB-CG1 4Å; W107-I209 HydrophobicContact CE3-CD1 3.91Å; W107-I209 HydrophobicContact CZ3-CD1 3.9Å; F111-I209 HydrophobicContact CE2-CD1 4.35Å; F111-I209 HydrophobicContact CZ-CD1 4.03Å; Y164-I209 HydrophobicContact CD2-CG2 4.25Å; Y164-I209 HydrophobicContact CE2-CG2 4.1Å; K205-I209 WeakPolarHBondContact O-CG1 3.42Å; K205-I209 PolarHBondContact O-N 3.34Å; V206-I209 PolarHBondContact O-N 2.87Å; I209-Q211 PolarHBondContact O-N 3.38Å; I209-G213 CarbonylContact O-C 3.58Å; I209-G213 PolarHBondContact O-N 3.5Å; I209-F214 HydrophobicContact CG2-CB 3.94Å; I209-F214 WeakPolarHBondContact O-CB 3.32Å; I209-F214 PolarHBondContact O-N 2.99Å
210	L	92.4	Very high	95	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.188	17%	0.17	C	C	.	.	I	π-helix	trans	-64.3	-23.4	-173.4	-67.4	-179.9	0	0	0	114.6	L167 V206 I207 I218	L167-L210 HydrophobicContact CD1-CD2 3.85Å; V206-L210 HydrophobicContact CG1-CD1 3.97Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 WeakPolarHBondContact O-CG 3.36Å; V206-L210 PolarHBondContact O-N 3.48Å; I207-L210 HydrophobicContact CD1-CD1 4.44Å; I207-L210 PolarHBondContact O-N 3.38Å; L210-I218 HydrophobicContact CB-CD1 4.04Å; L210-I218 HydrophobicContact CD1-CD1 4.42Å; L210-I218 HydrophobicContact CD2-CD1 4.25Å; L210-I218 HydrophobicContact CG-CD1 4.46Å
211	Q	91.6	Very high	95.3	Very high	20 Å²	20	30 Å²	30	9%	0.093	15%	0.15	C	C	.	.	I	π-helix	trans	-98.6	-45.3	179.6	-60.6	-171.9	129.2	0	0	112.7	R86 I207 I209 F240 I245	R86-Q211 PolarHBondContact NH2-O 2.66Å; I207-Q211 HydrophobicContact CG2-CG 4.03Å; I207-Q211 VanDerWaalsContact CG2-NE2 3.25Å; I207-Q211 WeakPolarHBondContact O-CB 3.39Å; I207-Q211 VanDerWaalsContact O-CG 3.24Å; I207-Q211 WeakPolarHBondContact O-CG 3.44Å; I207-Q211 PolarHBondContact O-N 3.05Å; I209-Q211 PolarHBondContact O-N 3.38Å; Q211-F240 PolarHBondContact NE2-O 3.24Å; Q211-I245 HydrophobicContact CG-CG1 4.11Å
212	D	93.6	Very high	95.6	Very high	46 Å²	46	23.6 Å²	23.6	25%	0.246	12%	0.122	C	C	.	.	I	π-helix	trans	-134.6	-2.7	-163.1	-63.2	-54.4	0	0	0	115	R86 L96 N99 G208 K242	R86-D212 IonicContact NH2-OD1 3.95Å; R86-D212 PolarHBondContact NH2-OD1 2.79Å; L96-D212 VanDerWaalsContact CD1-C 3.45Å; L96-D212 WeakPolarHBondContact CD1-O 3.24Å; N99-D212 WeakPolarHBondContact CB-O 3.34Å; N99-D212 PolarHBondContact ND2-O 2.87Å; G208-D212 CarbonylContact O-C 3.51Å; G208-D212 PolarHBondContact O-N 2.97Å; D212-K242 IonicContact OD1-NZ 2.68Å; D212-K242 PolarHBondContact OD1-NZ 2.76Å; D212-K242 WeakPolarHBondContact OD2-CE 3.32Å; D212-K242 IonicContact OD2-NZ 3.96Å; D212-K242 PolarHBondContact OD2-NZ 3.15Å
213	G	95.5	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-121.2	8.4	180	0	0	0	0	0	114.8	Y100 G208 I209	Y100-G213 VanDerWaalsContact CA-O 3.31Å; Y100-G213 WeakPolarHBondContact CA-O 3.5Å; G208-G213 PolarHBondContact O-N 3.44Å; G208-G213 VanDerWaalsContact O-N 3.08Å; I209-G213 CarbonylContact O-C 3.58Å; I209-G213 PolarHBondContact O-N 3.5Å
214	F	97.5	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-146.5	135.2	176.6	-160.1	-85.3	0	0	0	111.7	Y100 Y164 L167 E168 I171 I209 I216	Y100-F214 HydrophobicContact CD2-CD2 4.18Å; Y100-F214 HydrophobicContact CE2-CD2 4.06Å; Y100-F214 HydrophobicContact CE2-CE2 4.01Å; Y164-F214 HydrophobicContact CD2-CD2 4.24Å; Y164-F214 HydrophobicContact CD2-CE2 4.42Å; Y164-F214 HydrophobicContact CE1-CE2 4.09Å; Y164-F214 AromaticContact CE2-CD2 3.53Å; Y164-F214 HydrophobicContact CE2-CD2 3.53Å; Y164-F214 AromaticContact CE2-CE2 3.85Å; Y164-F214 HydrophobicContact CE2-CE2 3.85Å; Y164-F214 AromaticContact CZ-CD2 3.73Å; Y164-F214 AromaticContact CZ-CE2 3.67Å; L167-F214 HydrophobicContact CB-CD1 4.29Å; L167-F214 HydrophobicContact CB-CE1 3.7Å; L167-F214 HydrophobicContact CB-CE2 4.31Å; L167-F214 HydrophobicContact CB-CZ 3.71Å; L167-F214 HydrophobicContact CD1-CD1 4.49Å; E168-F214 HydrophobicContact CG-CE2 3.79Å; E168-F214 HydrophobicContact CG-CZ 3.96Å; I171-F214 HydrophobicContact CB-CE1 4.21Å; I171-F214 HydrophobicContact CG2-CE1 4.1Å; I171-F214 HydrophobicContact CG2-CZ 3.97Å; I209-F214 HydrophobicContact CG2-CB 3.94Å; I209-F214 WeakPolarHBondContact O-CB 3.32Å; I209-F214 PolarHBondContact O-N 2.99Å; F214-I216 HydrophobicContact CD1-CB 3.63Å; F214-I216 HydrophobicContact CD1-CG2 3.72Å; F214-I216 HydrophobicContact CE1-CB 3.96Å; F214-I216 HydrophobicContact CE1-CG2 4.43Å; F214-I216 PolarHBondContact O-N 3.41Å
215	P	97.7	Very high	96.1	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.019	10%	0.099	C	C	.	.			trans	-76.9	32.2	-175.4	30.5	-34.7	0	0	0	115.8	R81 F82 A85 L96 I171	R81-P215 HydrophobicContact CB-CB 3.98Å; R81-P215 HydrophobicContact CB-CG 3.99Å; F82-P215 HydrophobicContact CD1-CB 4.17Å; F82-P215 HydrophobicContact CD1-CG 4.4Å; F82-P215 HydrophobicContact CE1-CB 4.2Å; F82-P215 HydrophobicContact CE1-CG 3.95Å; F82-P215 HydrophobicContact CE2-CG 4.34Å; F82-P215 HydrophobicContact CG-CB 4.46Å; F82-P215 HydrophobicContact CZ-CG 3.91Å; A85-P215 HydrophobicContact CB-CB 3.85Å; A85-P215 WeakPolarHBondContact CB-O 3.35Å; L96-P215 HydrophobicContact CD2-CB 4.14Å; I171-P215 WeakPolarHBondContact CD1-O 3.15Å; I171-P215 HydrophobicContact CG1-CG 4.29Å
216	I	97.5	Very high	96	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.046	10%	0.099	C	C	.	.			trans	-97.5	145.4	178	-160.1	68	0	0	0	111.9	L167 I171 T176 I181 F214 I218	L167-I216 HydrophobicContact CD2-CG1 4.28Å; L167-I216 HydrophobicContact CD2-CG2 4.43Å; I171-I216 HydrophobicContact CD1-CD1 3.75Å; T176-I216 HydrophobicContact CG2-CD1 3.77Å; I181-I216 HydrophobicContact CD1-CG1 3.76Å; I181-I216 HydrophobicContact CG1-CD1 4.49Å; I181-I216 HydrophobicContact CG1-CG1 3.83Å; I181-I216 HydrophobicContact CG2-CD1 3.92Å; I181-I216 HydrophobicContact CG2-CG1 4.2Å; F214-I216 HydrophobicContact CD1-CB 3.63Å; F214-I216 HydrophobicContact CD1-CG2 3.72Å; F214-I216 HydrophobicContact CE1-CB 3.96Å; F214-I216 HydrophobicContact CE1-CG2 4.43Å; F214-I216 PolarHBondContact O-N 3.41Å; I216-I218 HydrophobicContact CG2-CG1 4.35Å
217	R	97.4	Very high	95.6	Very high	34 Å²	34	18.6 Å²	18.6	13%	0.128	10%	0.103	C	C	.	.			trans	-104.5	92.1	176.6	-66.4	168.6	72.3	-107.6	13.3	110	E44 L45 Q177 V178 N179 G180 I181 K219	E44-R217 IonicContact OE2-CZ 2.74Å; E44-R217 IonicContact OE2-NH2 3.52Å; E44-R217 PolarHBondContact OE2-NH2 3.02Å; L45-R217 VanDerWaalsContact CD2-NH2 3.3Å; Q177-R217 VanDerWaalsContact O-CD 3.29Å; Q177-R217 WeakPolarHBondContact O-CD 3.48Å; V178-R217 PolarHBondContact O-NH1 2.92Å; N179-R217 PolarHBondContact O-NH1 3.15Å; G180-R217 CarbonylContact C-O 3.41Å; G180-R217 WeakPolarHBondContact CA-O 3.32Å; I181-R217 PolarHBondContact N-O 2.97Å; R217-K219 PolarHBondContact O-N 3.45Å
218	I	97.4	Very high	95.2	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	117.7	171.2	-55.7	171.6	0	0	0	108.2	I181 I183 L210 I216 V221 R248	I181-I218 HydrophobicContact CD1-CG1 4.48Å; I181-I218 HydrophobicContact CG1-CG1 4.41Å; I183-I218 HydrophobicContact CD1-CD1 4.2Å; I183-I218 HydrophobicContact CD1-CG1 4.48Å; I183-I218 HydrophobicContact CD1-CG2 4.33Å; L210-I218 HydrophobicContact CB-CD1 4.04Å; L210-I218 HydrophobicContact CD1-CD1 4.42Å; L210-I218 HydrophobicContact CD2-CD1 4.25Å; L210-I218 HydrophobicContact CG-CD1 4.46Å; I216-I218 HydrophobicContact CG2-CG1 4.35Å; I218-V221 HydrophobicContact CG2-CG2 3.65Å; I218-R248 WeakPolarHBondContact O-CD 3.23Å; I218-R248 PolarHBondContact O-NH1 3.47Å
219	K	97.8	Very high	94.7	Very high	41 Å²	41	31.2 Å²	31.2	18%	0.178	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-35.5	178.8	-61.7	-82.8	-73.5	-144.6	0	111.7	E44 N179 I181 R217 R248	E44-K219 VanDerWaalsContact CD-NZ 3.35Å; E44-K219 IonicContact OE1-NZ 3.9Å; E44-K219 PolarHBondContact OE1-NZ 3.49Å; E44-K219 IonicContact OE2-NZ 3.86Å; E44-K219 PolarHBondContact OE2-NZ 2.8Å; N179-K219 WeakPolarHBondContact O-CD 3.5Å; N179-K219 VanDerWaalsContact O-CG 3.29Å; N179-K219 WeakPolarHBondContact O-CG 3.48Å; I181-K219 PolarHBondContact O-N 3.14Å; R217-K219 PolarHBondContact O-N 3.45Å; K219-R248 WeakPolarHBondContact O-CG 3.24Å
220	A	98.1	Very high	94.4	Very high	10 Å²	10	31 Å²	31	8%	0.083	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.6	174.2	0	0	0	0	0	112	V182 I183 F250	V182-A220 HydrophobicContact CG1-CB 4.2Å; V182-A220 HydrophobicContact CG2-CB 4.33Å; I183-A220 PolarHBondContact N-O 2.72Å; A220-F250 HydrophobicContact CB-CD2 4.15Å; A220-F250 HydrophobicContact CB-CE2 3.83Å
221	V	97.9	Very high	94.1	Very high	12 Å²	12	38 Å²	38	7%	0.073	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	96.2	170.7	-174.7	0	0	0	0	107.6	I183 I218 I223 R248 F249 F250	I183-V221 HydrophobicContact CB-CG1 4.24Å; I183-V221 HydrophobicContact CB-CG2 4.35Å; I183-V221 HydrophobicContact CD1-CG2 4.32Å; I183-V221 HydrophobicContact CG2-CG1 4.22Å; I218-V221 HydrophobicContact CG2-CG2 3.65Å; V221-I223 HydrophobicContact CG1-CD1 4.4Å; V221-I223 HydrophobicContact CG1-CG1 4.21Å; V221-R248 PolarHBondContact N-O 3.45Å; V221-F249 HydrophobicContact CB-CD1 4.22Å; V221-F249 HydrophobicContact CB-CD2 4.38Å; V221-F249 HydrophobicContact CB-CE1 4.3Å; V221-F249 HydrophobicContact CB-CE2 4.44Å; V221-F249 HydrophobicContact CB-CG 4.27Å; V221-F249 HydrophobicContact CB-CZ 4.4Å; V221-F249 HydrophobicContact CG1-CD1 3.95Å; V221-F249 HydrophobicContact CG1-CE1 3.75Å; V221-F249 HydrophobicContact CG1-CG 4.5Å; V221-F249 HydrophobicContact CG1-CZ 4.13Å; V221-F249 HydrophobicContact CG2-CE2 4.25Å; V221-F249 HydrophobicContact CG2-CZ 4.36Å; V221-F249 WeakPolarHBondContact O-CA 3.28Å; V221-F250 PolarHBondContact O-N 2.96Å
222	N	98.3	Very high	93.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.2	180	-58.1	-73.3	0	0	0	108.8	V182 I183 L184 A185 H252 L259 N262 I263	V182-N222 WeakPolarHBondContact CG1-ND2 3.45Å; I183-N222 PolarHBondContact O-N 3.26Å; L184-N222 CarbonylContact C-O 3.48Å; L184-N222 WeakPolarHBondContact CA-O 3.31Å; L184-N222 HydrophobicContact CD1-CB 4.2Å; A185-N222 PolarHBondContact N-O 3.35Å; N222-H252 WeakPolarHBondContact CB-NE2 3.27Å; N222-H252 PolarHBondContact OD1-NE2 3.09Å; N222-L259 HydrophobicContact CB-CD1 3.86Å; N222-N262 VanDerWaalsContact OD1-CB 3.31Å; N222-N262 WeakPolarHBondContact OD1-CB 3.21Å; N222-N262 PolarHBondContact OD1-ND2 3.42Å; N222-I263 HydrophobicContact CB-CD1 4.48Å
223	I	97.6	Very high	93.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.4	-177.7	-55.9	-167.8	0	0	0	108.3	A185 Y187 V221 E226 F230 F249 F250 L251 H252	A185-I223 HydrophobicContact CB-CG1 4.39Å; A185-I223 WeakPolarHBondContact O-CA 3.28Å; Y187-I223 HydrophobicContact CD2-CG2 3.62Å; Y187-I223 HydrophobicContact CE2-CD1 4.39Å; Y187-I223 HydrophobicContact CE2-CG2 3.99Å; Y187-I223 HydrophobicContact CG-CG2 4.4Å; V221-I223 HydrophobicContact CG1-CD1 4.4Å; V221-I223 HydrophobicContact CG1-CG1 4.21Å; I223-E226 HydrophobicContact CG2-CB 3.92Å; I223-F230 HydrophobicContact CD1-CE1 4.28Å; I223-F230 HydrophobicContact CD1-CE2 4.01Å; I223-F230 HydrophobicContact CD1-CZ 3.44Å; I223-F230 VanDerWaalsContact CD1-CZ 3.44Å; I223-F230 HydrophobicContact CG2-CE2 4.16Å; I223-F230 HydrophobicContact CG2-CZ 4.24Å; I223-F249 HydrophobicContact CD1-CD1 3.68Å; I223-F249 HydrophobicContact CD1-CE1 3.96Å; I223-F250 PolarHBondContact N-O 3.49Å; I223-L251 HydrophobicContact CB-CD2 3.74Å; I223-L251 HydrophobicContact CD1-CD2 3.86Å; I223-L251 HydrophobicContact CG1-CD2 4.09Å; I223-L251 HydrophobicContact CG2-CD2 4.18Å; I223-H252 PolarHBondContact O-CD2 2.88Å; I223-H252 VanDerWaalsContact O-CD2 3.29Å; I223-H252 PolarHBondContact O-N 3.06Å
224	I	97.8	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.9	179.8	66.1	173.3	0	0	0	111	L184 A185 D186 Y187 E226 H252 L259 Y272	L184-I224 HydrophobicContact CD1-CD1 4.17Å; L184-I224 HydrophobicContact CD1-CG1 4.26Å; L184-I224 HydrophobicContact CD1-CG2 4.1Å; A185-I224 PolarHBondContact O-N 2.85Å; D186-I224 HydrophobicContact CB-CD1 4.17Å; D186-I224 HydrophobicContact CB-CG1 3.97Å; Y187-I224 PolarHBondContact N-O 3.21Å; I224-E226 PolarHBondContact O-N 2.99Å; I224-E226 VanDerWaalsContact O-N 3.13Å; I224-H252 HydrophobicContact CG2-CB 4.13Å; I224-L259 HydrophobicContact CG2-CB 4.27Å; I224-L259 HydrophobicContact CG2-CD1 4.18Å; I224-L259 HydrophobicContact CG2-CD2 4.07Å; I224-L259 HydrophobicContact CG2-CG 4.39Å; I224-Y272 HydrophobicContact CD1-CD1 3.42Å; I224-Y272 VanDerWaalsContact CD1-CD1 3.42Å; I224-Y272 HydrophobicContact CD1-CE1 3.74Å; I224-Y272 HydrophobicContact CD1-CG 4.11Å
225	N	95.9	Very high	92.8	Very high	41 Å²	41	42 Å²	42	22%	0.219	21%	0.21	C	C	.	.	S	Bend	trans	52.3	29.5	-179	-56.6	-55.4	0	0	0	113.1	D186 Y187 K188 P227 G253	D186-N225 WeakPolarHBondContact OD1-CB 3.33Å; D186-N225 PolarHBondContact OD1-ND2 3.09Å; Y187-N225 CarbonylContact C-O 3.59Å; K188-N225 HydrophobicContact CB-CB 3.65Å; K188-N225 HydrophobicContact CG-CB 4.4Å; N225-P227 WeakPolarHBondContact O-CD 3.44Å; N225-G253 PolarHBondContact N-O 3.41Å
226	E	93.3	Very high	92.3	Very high	44 Å²	44	44.3 Å²	44.3	21%	0.206	22%	0.221	C	C	.	.			trans	-67.8	124.8	-175.9	75.9	-72.1	174	0	0	111.1	I223 I224 F230 G253	I223-E226 HydrophobicContact CG2-CB 3.92Å; I224-E226 PolarHBondContact O-N 2.99Å; I224-E226 VanDerWaalsContact O-N 3.13Å; E226-F230 HydrophobicContact CB-CB 3.74Å; E226-F230 HydrophobicContact CB-CD1 4.19Å; E226-F230 HydrophobicContact CB-CD2 3.85Å; E226-F230 HydrophobicContact CB-CG 3.64Å; E226-F230 HydrophobicContact CG-CB 3.9Å; E226-F230 HydrophobicContact CG-CD1 3.98Å; E226-F230 HydrophobicContact CG-CG 3.87Å; E226-G253 VanDerWaalsContact OE1-CA 3.29Å; E226-G253 WeakPolarHBondContact OE1-CA 3.31Å; E226-G253 PolarHBondContact OE1-N 3.2Å; E226-G253 WeakPolarHBondContact OE2-CA 3.41Å; E226-G253 PolarHBondContact OE2-N 2.89Å
227	P	87.3	Confident	92	Very high	36 Å²	36	44.5 Å²	44.5	23%	0.234	22%	0.222	C	C	.	.			trans	-69.6	161.6	-176.8	30	-37.7	0	0	0	110.3	N225 I229 F230	N225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-I229 HydrophobicContact CB-CG1 3.9Å; P227-I229 HydrophobicContact CG-CD1 4.09Å; P227-I229 HydrophobicContact CG-CG1 3.56Å; P227-I229 PolarHBondContact O-N 3.47Å; P227-F230 WeakPolarHBondContact O-CB 3.27Å; P227-F230 PolarHBondContact O-N 2.88Å
228	R	86.4	Confident	91.7	Very high	250 Å²	250	48.9 Å²	48.9	94%	0.943	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.1	179	-65.6	-178.5	-179.7	172	0.2	114	F230	R228-F230 VanDerWaalsContact C-N 3.26Å; R228-F230 PolarHBondContact O-N 3Å
229	I	84.1	Confident	91.6	Very high	55 Å²	55	53.1 Å²	53.1	28%	0.282	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.2	176.1	63.2	169.1	0	0	0	114.3	L192 P227 K231 G232 I233	L192-I229 VanDerWaalsContact CA-CD1 3.49Å; L192-I229 HydrophobicContact CB-CD1 3.69Å; L192-I229 HydrophobicContact CB-CG2 4.49Å; L192-I229 HydrophobicContact CD1-CB 4.49Å; L192-I229 HydrophobicContact CD1-CD1 4.32Å; P227-I229 HydrophobicContact CB-CG1 3.9Å; P227-I229 HydrophobicContact CG-CD1 4.09Å; P227-I229 HydrophobicContact CG-CG1 3.56Å; P227-I229 PolarHBondContact O-N 3.47Å; I229-K231 PolarHBondContact O-N 3.08Å; I229-K231 VanDerWaalsContact O-N 3.12Å; I229-G232 WeakPolarHBondContact O-CA 3.45Å; I229-G232 PolarHBondContact O-N 2.88Å; I229-I233 HydrophobicContact CD1-CD1 4.47Å; I229-I233 PolarHBondContact O-N 2.85Å
230	F	87.6	Confident	91.4	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-28.4	-174.7	-176.3	-91.8	0	0	0	112.4	Y187 I223 E226 P227 R228 G232 I233 F234 L251	Y187-F230 AromaticContact CD1-CD2 3.95Å; Y187-F230 HydrophobicContact CD1-CD2 3.95Å; Y187-F230 HydrophobicContact CD1-CE2 4.13Å; Y187-F230 HydrophobicContact CD2-CE2 4.32Å; Y187-F230 HydrophobicContact CE1-CD2 4Å; Y187-F230 AromaticContact CE1-CE2 3.81Å; Y187-F230 HydrophobicContact CE1-CE2 3.81Å; Y187-F230 AromaticContact CE2-CE2 3.98Å; Y187-F230 HydrophobicContact CE2-CE2 3.98Å; Y187-F230 HydrophobicContact CG-CD2 4.29Å; Y187-F230 HydrophobicContact CG-CE2 4.37Å; Y187-F230 AromaticContact CZ-CE2 3.72Å; I223-F230 HydrophobicContact CD1-CE1 4.28Å; I223-F230 HydrophobicContact CD1-CE2 4.01Å; I223-F230 HydrophobicContact CD1-CZ 3.44Å; I223-F230 VanDerWaalsContact CD1-CZ 3.44Å; I223-F230 HydrophobicContact CG2-CE2 4.16Å; I223-F230 HydrophobicContact CG2-CZ 4.24Å; E226-F230 HydrophobicContact CB-CB 3.74Å; E226-F230 HydrophobicContact CB-CD1 4.19Å; E226-F230 HydrophobicContact CB-CD2 3.85Å; E226-F230 HydrophobicContact CB-CG 3.64Å; E226-F230 HydrophobicContact CG-CB 3.9Å; E226-F230 HydrophobicContact CG-CD1 3.98Å; E226-F230 HydrophobicContact CG-CG 3.87Å; P227-F230 WeakPolarHBondContact O-CB 3.27Å; P227-F230 PolarHBondContact O-N 2.88Å; R228-F230 VanDerWaalsContact C-N 3.26Å; R228-F230 PolarHBondContact O-N 3Å; F230-G232 PolarHBondContact O-N 3.32Å; F230-I233 HydrophobicContact CD2-CB 4.29Å; F230-I233 HydrophobicContact CD2-CD1 4.29Å; F230-I233 PolarHBondContact O-N 2.55Å; F230-I233 VanDerWaalsContact O-N 3.07Å; F230-F234 HydrophobicContact CD1-CB 4.23Å; F230-F234 HydrophobicContact CE1-CB 3.77Å; F230-F234 HydrophobicContact CE1-CD2 4.17Å; F230-F234 HydrophobicContact CE1-CG 4.2Å; F230-F234 HydrophobicContact CZ-CB 4.28Å; F230-F234 HydrophobicContact CZ-CD2 4.34Å; F230-F234 WeakPolarHBondContact O-CB 3.45Å; F230-F234 PolarHBondContact O-N 3.24Å; F230-L251 HydrophobicContact CD1-CD1 4.08Å; F230-L251 HydrophobicContact CD1-CD2 4.25Å; F230-L251 HydrophobicContact CE1-CD1 3.93Å; F230-L251 HydrophobicContact CE1-CD2 3.53Å; F230-L251 HydrophobicContact CE1-CG 4.42Å; F230-L251 HydrophobicContact CZ-CD2 4.09Å
231	K	86.9	Confident	91.2	Very high	182 Å²	182	54.6 Å²	54.6	79%	0.791	28%	0.276	S	S	*	.	H	α-helix	trans	-54.4	-37.6	170.6	-67.1	-173.8	177.8	-176.7	0	112.7	I229 A235	I229-K231 PolarHBondContact O-N 3.08Å; I229-K231 VanDerWaalsContact O-N 3.12Å; K231-A235 VanDerWaalsContact O-CB 3.32Å; K231-A235 WeakPolarHBondContact O-CB 3.41Å; K231-A235 PolarHBondContact O-N 3.45Å
232	G	85.7	Confident	91.1	Very high	38 Å²	38	58.9 Å²	58.9	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-71.8	-41.1	174.3	0	0	0	0	0	112.9	I229 F230 A235 I236	I229-G232 WeakPolarHBondContact O-CA 3.45Å; I229-G232 PolarHBondContact O-N 2.88Å; F230-G232 PolarHBondContact O-N 3.32Å; G232-A235 PolarHBondContact O-N 3.39Å; G232-I236 PolarHBondContact O-N 3.44Å
233	I	86	Confident	90.9	Very high	9 Å²	9	66 Å²	66	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-47.1	174.9	-51.3	-177.6	0	0	0	110.1	Y187 V190 A195 I229 F230 A235 I236 I237	Y187-I233 HydrophobicContact CD1-CD1 4.46Å; Y187-I233 HydrophobicContact CE1-CD1 4.31Å; V190-I233 HydrophobicContact CG1-CD1 4.27Å; A195-I233 HydrophobicContact CB-CD1 3.62Å; A195-I233 HydrophobicContact CB-CG1 3.79Å; I229-I233 HydrophobicContact CD1-CD1 4.47Å; I229-I233 PolarHBondContact O-N 2.85Å; F230-I233 HydrophobicContact CD2-CB 4.29Å; F230-I233 HydrophobicContact CD2-CD1 4.29Å; F230-I233 PolarHBondContact O-N 2.55Å; F230-I233 VanDerWaalsContact O-N 3.07Å; I233-A235 VanDerWaalsContact C-N 3.33Å; I233-A235 PolarHBondContact O-N 3.42Å; I233-I236 WeakPolarHBondContact O-CB 2.82Å; I233-I236 PolarHBondContact O-N 2.98Å; I233-I237 HydrophobicContact CG2-CD1 4.26Å; I233-I237 WeakPolarHBondContact O-CG1 3.42Å; I233-I237 PolarHBondContact O-N 3.11Å
234	F	88.6	Confident	90.6	Very high	42 Å²	42	72.1 Å²	72.1	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-34.1	177.3	-166.5	-112.5	0	0	0	112.1	F230 I236 I237 K238 L241 F249	F230-F234 HydrophobicContact CD1-CB 4.23Å; F230-F234 HydrophobicContact CE1-CB 3.77Å; F230-F234 HydrophobicContact CE1-CD2 4.17Å; F230-F234 HydrophobicContact CE1-CG 4.2Å; F230-F234 HydrophobicContact CZ-CB 4.28Å; F230-F234 HydrophobicContact CZ-CD2 4.34Å; F230-F234 WeakPolarHBondContact O-CB 3.45Å; F230-F234 PolarHBondContact O-N 3.24Å; F234-I236 PolarHBondContact O-N 3.3Å; F234-I237 PolarHBondContact O-N 3.21Å; F234-I237 VanDerWaalsContact O-N 3.12Å; F234-K238 HydrophobicContact CD1-CB 4.25Å; F234-K238 HydrophobicContact CD1-CD 4.35Å; F234-K238 HydrophobicContact CE1-CB 4.11Å; F234-K238 HydrophobicContact CE1-CD 3.89Å; F234-K238 HydrophobicContact CE1-CG 4.13Å; F234-K238 HydrophobicContact CZ-CB 4.43Å; F234-K238 WeakPolarHBondContact O-CB 3.33Å; F234-K238 PolarHBondContact O-N 3.22Å; F234-L241 HydrophobicContact CE2-CD1 3.96Å; F234-L241 HydrophobicContact CZ-CD1 4.19Å; F234-F249 HydrophobicContact CD2-CD1 4.44Å; F234-F249 HydrophobicContact CE2-CB 4.35Å; F234-F249 AromaticContact CE2-CD1 3.83Å; F234-F249 HydrophobicContact CE2-CD1 3.83Å; F234-F249 HydrophobicContact CE2-CD2 4.49Å; F234-F249 HydrophobicContact CE2-CE1 4.24Å; F234-F249 AromaticContact CE2-CG 3.98Å; F234-F249 HydrophobicContact CE2-CG 3.98Å
235	A	88.9	Confident	90.4	Very high	62 Å²	62	73.2 Å²	73.2	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-26.1	173.5	0	0	0	0	0	113.6	K231 G232 I233 P239	K231-A235 VanDerWaalsContact O-CB 3.32Å; K231-A235 WeakPolarHBondContact O-CB 3.41Å; K231-A235 PolarHBondContact O-N 3.45Å; G232-A235 PolarHBondContact O-N 3.39Å; I233-A235 VanDerWaalsContact C-N 3.33Å; I233-A235 PolarHBondContact O-N 3.42Å; A235-P239 WeakPolarHBondContact O-CD 3.46Å; A235-P239 WeakPolarHBondContact O-CG 3.45Å
236	I	88.1	Confident	90.3	Very high	50 Å²	50	72.5 Å²	72.5	26%	0.256	36%	0.358	S	S	.	.	H	α-helix	trans	-73.1	-35.8	171.8	-65.7	167	0	0	0	111.2	P200 A203 G232 I233 F234 F240	P200-I236 HydrophobicContact CB-CG2 4.31Å; P200-I236 HydrophobicContact CG-CG2 4.02Å; A203-I236 HydrophobicContact CB-CG2 3.91Å; G232-I236 PolarHBondContact O-N 3.44Å; I233-I236 WeakPolarHBondContact O-CB 2.82Å; I233-I236 PolarHBondContact O-N 2.98Å; F234-I236 PolarHBondContact O-N 3.3Å; I236-F240 WeakPolarHBondContact O-CD2 3.19Å; I236-F240 VanDerWaalsContact O-CE2 3.23Å; I236-F240 WeakPolarHBondContact O-CE2 3.48Å
237	I	90.1	Very high	90.4	Very high	13 Å²	13	75.7 Å²	75.7	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-87.5	-43	-173.4	-60.8	171.4	0	0	0	111.9	F198 A203 I207 I233 F234 F240 L241	F198-I237 HydrophobicContact CE1-CD1 4.04Å; F198-I237 HydrophobicContact CE1-CG1 4.04Å; A203-I237 HydrophobicContact CB-CG1 4.3Å; I207-I237 HydrophobicContact CD1-CG2 3.85Å; I207-I237 HydrophobicContact CG1-CG2 3.86Å; I233-I237 HydrophobicContact CG2-CD1 4.26Å; I233-I237 WeakPolarHBondContact O-CG1 3.42Å; I233-I237 PolarHBondContact O-N 3.11Å; F234-I237 PolarHBondContact O-N 3.21Å; F234-I237 VanDerWaalsContact O-N 3.12Å; I237-F240 PolarHBondContact O-N 2.91Å; I237-L241 HydrophobicContact CG2-CD1 4.15Å; I237-L241 HydrophobicContact CG2-CD2 4.15Å; I237-L241 HydrophobicContact CG2-CG 4.08Å
238	K	92.3	Very high	90.8	Very high	126 Å²	126	76.6 Å²	76.6	55%	0.548	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-51.3	-40.7	-172.9	-174.7	-177.3	-177.7	-177.3	0	114.6	F234 F240 L241	F234-K238 HydrophobicContact CD1-CB 4.25Å; F234-K238 HydrophobicContact CD1-CD 4.35Å; F234-K238 HydrophobicContact CE1-CB 4.11Å; F234-K238 HydrophobicContact CE1-CD 3.89Å; F234-K238 HydrophobicContact CE1-CG 4.13Å; F234-K238 HydrophobicContact CZ-CB 4.43Å; F234-K238 WeakPolarHBondContact O-CB 3.33Å; F234-K238 PolarHBondContact O-N 3.22Å; K238-F240 PolarHBondContact O-N 3.41Å; K238-F240 VanDerWaalsContact O-N 3.08Å; K238-L241 PolarHBondContact O-N 3.27Å; K238-L241 VanDerWaalsContact O-N 3.08Å
239	P	94.5	Very high	91.2	Very high	97 Å²	97	66.7 Å²	66.7	63%	0.63	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-60.7	-17.8	178.6	-25.3	36.1	0	0	0	114.8	A235	A235-P239 WeakPolarHBondContact O-CD 3.46Å; A235-P239 WeakPolarHBondContact O-CG 3.45Å
240	F	94.5	Very high	91.8	Very high	61 Å²	61	67.8 Å²	67.8	27%	0.268	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-100.7	-11.1	178.9	-49.6	-59.1	0	0	0	113.1	P200 A203 K204 I207 Q211 I236 I237 K238	P200-F240 HydrophobicContact CB-CE2 4.33Å; P200-F240 HydrophobicContact CB-CZ 4.32Å; P200-F240 WeakPolarHBondContact O-CE2 3.05Å; A203-F240 HydrophobicContact CB-CD2 4.19Å; A203-F240 HydrophobicContact CB-CE2 4.19Å; K204-F240 HydrophobicContact CB-CD1 3.92Å; K204-F240 HydrophobicContact CB-CD2 4.12Å; K204-F240 HydrophobicContact CB-CE1 3.79Å; K204-F240 HydrophobicContact CB-CE2 3.99Å; K204-F240 HydrophobicContact CB-CG 4.09Å; K204-F240 HydrophobicContact CB-CZ 3.83Å; K204-F240 HydrophobicContact CD-CD1 4.28Å; K204-F240 HydrophobicContact CD-CE1 3.92Å; K204-F240 HydrophobicContact CG-CD1 3.8Å; K204-F240 HydrophobicContact CG-CE1 3.84Å; K204-F240 HydrophobicContact CG-CG 4.32Å; K204-F240 HydrophobicContact CG-CZ 4.39Å; I207-F240 HydrophobicContact CB-CB 4.05Å; I207-F240 HydrophobicContact CG1-CB 4.48Å; I207-F240 HydrophobicContact CG2-CB 3.8Å; I207-F240 WeakPolarHBondContact CG2-O 3.31Å; Q211-F240 PolarHBondContact NE2-O 3.24Å; I236-F240 WeakPolarHBondContact O-CD2 3.19Å; I236-F240 VanDerWaalsContact O-CE2 3.23Å; I236-F240 WeakPolarHBondContact O-CE2 3.48Å; I237-F240 PolarHBondContact O-N 2.91Å; K238-F240 PolarHBondContact O-N 3.41Å; K238-F240 VanDerWaalsContact O-N 3.08Å
241	L	94.3	Very high	92.2	Very high	20 Å²	20	71.6 Å²	71.6	11%	0.105	36%	0.363	C	S	.	.			trans	-78.7	127.8	-179.6	-64.3	178.6	0	0	0	111	I207 F234 I237 K238 I245 A246 F249	I207-L241 HydrophobicContact CD1-CD2 3.7Å; I207-L241 HydrophobicContact CG1-CD2 4.18Å; I207-L241 HydrophobicContact CG2-CD2 3.92Å; F234-L241 HydrophobicContact CE2-CD1 3.96Å; F234-L241 HydrophobicContact CZ-CD1 4.19Å; I237-L241 HydrophobicContact CG2-CD1 4.15Å; I237-L241 HydrophobicContact CG2-CD2 4.15Å; I237-L241 HydrophobicContact CG2-CG 4.08Å; K238-L241 PolarHBondContact O-N 3.27Å; K238-L241 VanDerWaalsContact O-N 3.08Å; L241-I245 HydrophobicContact CD2-CG2 4.05Å; L241-A246 HydrophobicContact CB-CB 4.1Å; L241-A246 HydrophobicContact CD1-CB 4.27Å; L241-F249 HydrophobicContact CD1-CD2 4.1Å; L241-F249 HydrophobicContact CD1-CE2 3.72Å; L241-F249 HydrophobicContact CD1-CZ 4.18Å; L241-F249 HydrophobicContact CD2-CE2 3.99Å; L241-F249 HydrophobicContact CD2-CZ 4.38Å
242	K	94.3	Very high	92.7	Very high	103 Å²	103	63.6 Å²	63.6	45%	0.448	33%	0.328	S	S	.	.			trans	-67.2	143.8	162.1	-65.6	179.9	180	-177	0	108.5	D212 K244 I245 A246	D212-K242 IonicContact OD1-NZ 2.68Å; D212-K242 PolarHBondContact OD1-NZ 2.76Å; D212-K242 WeakPolarHBondContact OD2-CE 3.32Å; D212-K242 IonicContact OD2-NZ 3.96Å; D212-K242 PolarHBondContact OD2-NZ 3.15Å; K242-K244 VanDerWaalsContact C-N 3.26Å; K242-K244 PolarHBondContact O-N 3.35Å; K242-K244 VanDerWaalsContact O-N 3.14Å; K242-I245 WeakPolarHBondContact O-CA 3.48Å; K242-I245 PolarHBondContact O-N 3.31Å; K242-A246 PolarHBondContact O-N 2.8Å
243	E	94.5	Very high	93.1	Very high	150 Å²	150	62.7 Å²	62.7	70%	0.701	32%	0.318	S	S	*	.	H	α-helix	trans	-47.9	-46.6	-178.3	-172.9	-172.4	173.3	0	0	113	I245 A246 N247	E243-I245 PolarHBondContact O-N 2.72Å; E243-I245 VanDerWaalsContact O-N 3.1Å; E243-A246 PolarHBondContact O-N 2.93Å; E243-A246 VanDerWaalsContact O-N 3.14Å; E243-N247 WeakPolarHBondContact O-CB 3.31Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 2.8Å
244	K	91.6	Very high	93.4	Very high	131 Å²	131	67.4 Å²	67.4	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-54.5	-30.2	176.2	179.7	177.6	176.8	-177.3	0	114.4	K242 R248	K242-K244 VanDerWaalsContact C-N 3.26Å; K242-K244 PolarHBondContact O-N 3.35Å; K242-K244 VanDerWaalsContact O-N 3.14Å; K244-R248 VanDerWaalsContact O-CD 3.28Å; K244-R248 WeakPolarHBondContact O-CD 3.35Å; K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-NE 3.2Å
245	I	92.9	Very high	93.7	Very high	23 Å²	23	68.8 Å²	68.8	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-93.2	-37.4	178.4	-56.9	-59.2	0	0	0	110.5	Q211 L241 K242 E243 N247 R248 F249	Q211-I245 HydrophobicContact CG-CG1 4.11Å; L241-I245 HydrophobicContact CD2-CG2 4.05Å; K242-I245 WeakPolarHBondContact O-CA 3.48Å; K242-I245 PolarHBondContact O-N 3.31Å; E243-I245 PolarHBondContact O-N 2.72Å; E243-I245 VanDerWaalsContact O-N 3.1Å; I245-N247 VanDerWaalsContact C-N 3.28Å; I245-N247 PolarHBondContact O-N 2.97Å; I245-R248 WeakPolarHBondContact O-CB 3.33Å; I245-R248 PolarHBondContact O-N 2.88Å; I245-F249 HydrophobicContact CG2-CE2 4.21Å; I245-F249 WeakPolarHBondContact O-CD2 3.39Å
246	A	94.1	Very high	94	Very high	25 Å²	25	68.3 Å²	68.3	21%	0.207	35%	0.349	C	S	.	.	H	α-helix	trans	-55.9	-42.8	171.3	0	0	0	0	0	111.9	L241 K242 E243 R248 F249	L241-A246 HydrophobicContact CB-CB 4.1Å; L241-A246 HydrophobicContact CD1-CB 4.27Å; K242-A246 PolarHBondContact O-N 2.8Å; E243-A246 PolarHBondContact O-N 2.93Å; E243-A246 VanDerWaalsContact O-N 3.14Å; A246-R248 PolarHBondContact O-N 2.96Å; A246-F249 PolarHBondContact O-N 3.36Å; A246-F249 VanDerWaalsContact O-N 3.14Å
247	N	95.4	Very high	94.4	Very high	111 Å²	111	71.2 Å²	71.2	59%	0.594	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	4.3	177	-63.9	-7.6	0	0	0	114.1	E243 I245	E243-N247 WeakPolarHBondContact O-CB 3.31Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 2.8Å; I245-N247 VanDerWaalsContact C-N 3.28Å; I245-N247 PolarHBondContact O-N 2.97Å
248	R	96.1	Very high	94.7	Very high	56 Å²	56	72.2 Å²	72.2	21%	0.211	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-0.6	174.2	-67.4	170.6	172.7	-177.5	-19	113.1	I218 K219 V221 K244 I245 A246 F250	I218-R248 WeakPolarHBondContact O-CD 3.23Å; I218-R248 PolarHBondContact O-NH1 3.47Å; K219-R248 WeakPolarHBondContact O-CG 3.24Å; V221-R248 PolarHBondContact N-O 3.45Å; K244-R248 VanDerWaalsContact O-CD 3.28Å; K244-R248 WeakPolarHBondContact O-CD 3.35Å; K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-NE 3.2Å; I245-R248 WeakPolarHBondContact O-CB 3.33Å; I245-R248 PolarHBondContact O-N 2.88Å; A246-R248 PolarHBondContact O-N 2.96Å; R248-F250 VanDerWaalsContact O-CD2 3.29Å; R248-F250 WeakPolarHBondContact O-CD2 3.5Å; R248-F250 WeakPolarHBondContact O-CE2 3.44Å
249	F	95.6	Very high	95	Very high	42 Å²	42	66.2 Å²	66.2	18%	0.184	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.7	172.2	-80.8	-105.5	0	0	0	109.9	V221 I223 F234 L241 I245 A246	V221-F249 HydrophobicContact CB-CD1 4.22Å; V221-F249 HydrophobicContact CB-CD2 4.38Å; V221-F249 HydrophobicContact CB-CE1 4.3Å; V221-F249 HydrophobicContact CB-CE2 4.44Å; V221-F249 HydrophobicContact CB-CG 4.27Å; V221-F249 HydrophobicContact CB-CZ 4.4Å; V221-F249 HydrophobicContact CG1-CD1 3.95Å; V221-F249 HydrophobicContact CG1-CE1 3.75Å; V221-F249 HydrophobicContact CG1-CG 4.5Å; V221-F249 HydrophobicContact CG1-CZ 4.13Å; V221-F249 HydrophobicContact CG2-CE2 4.25Å; V221-F249 HydrophobicContact CG2-CZ 4.36Å; V221-F249 WeakPolarHBondContact O-CA 3.28Å; I223-F249 HydrophobicContact CD1-CD1 3.68Å; I223-F249 HydrophobicContact CD1-CE1 3.96Å; F234-F249 HydrophobicContact CD2-CD1 4.44Å; F234-F249 HydrophobicContact CE2-CB 4.35Å; F234-F249 AromaticContact CE2-CD1 3.83Å; F234-F249 HydrophobicContact CE2-CD1 3.83Å; F234-F249 HydrophobicContact CE2-CD2 4.49Å; F234-F249 HydrophobicContact CE2-CE1 4.24Å; F234-F249 AromaticContact CE2-CG 3.98Å; F234-F249 HydrophobicContact CE2-CG 3.98Å; L241-F249 HydrophobicContact CD1-CD2 4.1Å; L241-F249 HydrophobicContact CD1-CE2 3.72Å; L241-F249 HydrophobicContact CD1-CZ 4.18Å; L241-F249 HydrophobicContact CD2-CE2 3.99Å; L241-F249 HydrophobicContact CD2-CZ 4.38Å; I245-F249 HydrophobicContact CG2-CE2 4.21Å; I245-F249 WeakPolarHBondContact O-CD2 3.39Å; A246-F249 PolarHBondContact O-N 3.36Å; A246-F249 VanDerWaalsContact O-N 3.14Å
250	F	96.1	Very high	95.1	Very high	78 Å²	78	63.7 Å²	63.7	34%	0.342	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.2	174	-57.1	-82.4	0	0	0	108	A220 V221 I223 R248 N262	A220-F250 HydrophobicContact CB-CD2 4.15Å; A220-F250 HydrophobicContact CB-CE2 3.83Å; V221-F250 PolarHBondContact O-N 2.96Å; I223-F250 PolarHBondContact N-O 3.49Å; R248-F250 VanDerWaalsContact O-CD2 3.29Å; R248-F250 WeakPolarHBondContact O-CD2 3.5Å; R248-F250 WeakPolarHBondContact O-CE2 3.44Å; F250-N262 VanDerWaalsContact CG-ND2 3.29Å; F250-N262 WeakPolarHBondContact CG-ND2 3.39Å
251	L	95.8	Very high	95.2	Very high	84 Å²	84	68.4 Å²	68.4	44%	0.44	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.4	176.1	-52.5	-173.4	0	0	0	107.8	I223 F230	I223-L251 HydrophobicContact CB-CD2 3.74Å; I223-L251 HydrophobicContact CD1-CD2 3.86Å; I223-L251 HydrophobicContact CG1-CD2 4.09Å; I223-L251 HydrophobicContact CG2-CD2 4.18Å; F230-L251 HydrophobicContact CD1-CD1 4.08Å; F230-L251 HydrophobicContact CD1-CD2 4.25Å; F230-L251 HydrophobicContact CE1-CD1 3.93Å; F230-L251 HydrophobicContact CE1-CD2 3.53Å; F230-L251 HydrophobicContact CE1-CG 4.42Å; F230-L251 HydrophobicContact CZ-CD2 4.09Å
252	H	97	Very high	95.2	Very high	15 Å²	15	70 Å²	70	7%	0.069	36%	0.358	C	S	.	.			trans	-106.1	-10.9	-174.6	-54.6	-73.6	0	0	0	112.9	N222 I223 I224 C254 D255 S258 L259	N222-H252 WeakPolarHBondContact CB-NE2 3.27Å; N222-H252 PolarHBondContact OD1-NE2 3.09Å; I223-H252 PolarHBondContact O-CD2 2.88Å; I223-H252 VanDerWaalsContact O-CD2 3.29Å; I223-H252 PolarHBondContact O-N 3.06Å; I224-H252 HydrophobicContact CG2-CB 4.13Å; H252-C254 PolarHBondContact O-N 3.23Å; H252-D255 PolarHBondContact O-N 3.46Å; H252-S258 PolarHBondContact CE1-O 2.92Å; H252-S258 VanDerWaalsContact ND1-C 3.26Å; H252-S258 PolarHBondContact ND1-O 2.95Å; H252-S258 PolarHBondContact ND1-OG 3.34Å; H252-L259 PolarHBondContact ND1-N 3.29Å
253	G	94.6	Very high	95.3	Very high	18 Å²	18	65 Å²	65	19%	0.186	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-129.3	-172.1	0	0	0	0	0	110.6	N225 E226	N225-G253 PolarHBondContact N-O 3.41Å; E226-G253 VanDerWaalsContact OE1-CA 3.29Å; E226-G253 WeakPolarHBondContact OE1-CA 3.31Å; E226-G253 PolarHBondContact OE1-N 3.2Å; E226-G253 WeakPolarHBondContact OE2-CA 3.41Å; E226-G253 PolarHBondContact OE2-N 2.89Å
254	C	93.1	Very high	95.4	Very high	108 Å²	108	59.5 Å²	59.5	73%	0.73	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	5.4	173.6	-57.4	0	0	0	0	113.3	H252 L256	H252-C254 PolarHBondContact O-N 3.23Å; C254-L256 PolarHBondContact O-N 2.9Å
255	D	95	Very high	95.7	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	30%	0.301	S	S	.	.			trans	-86.1	97	-179.9	-179.7	29	0	0	0	111.5	H252 N257 S258 L259	H252-D255 PolarHBondContact O-N 3.46Å; D255-N257 PolarHBondContact O-N 2.93Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.31Å; D255-N257 PolarHBondContact OD1-N 2.89Å; D255-N257 PolarHBondContact OD1-ND2 3.35Å; D255-S258 WeakPolarHBondContact O-CB 3.42Å; D255-S258 PolarHBondContact O-N 2.89Å; D255-S258 VanDerWaalsContact OD2-CB 3.28Å; D255-S258 WeakPolarHBondContact OD2-CB 3.33Å; D255-S258 PolarHBondContact OD2-N 3.25Å; D255-S258 VanDerWaalsContact OD2-N 3.14Å; D255-L259 PolarHBondContact O-N 3.39Å
256	L	94.5	Very high	95.9	Very high	52 Å²	52	58.2 Å²	58.2	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-22.5	175.2	-63	177.9	0	0	0	112.6	C254 S258 L259 H260	C254-L256 PolarHBondContact O-N 2.9Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.94Å; L256-L259 HydrophobicContact CD2-CD2 4.18Å; L256-L259 WeakPolarHBondContact O-CB 3.22Å; L256-L259 PolarHBondContact O-N 3.32Å; L256-L259 VanDerWaalsContact O-N 3.16Å; L256-H260 WeakPolarHBondContact O-CB 3.43Å; L256-H260 PolarHBondContact O-CD2 2.76Å; L256-H260 VanDerWaalsContact O-CD2 3.24Å; L256-H260 PolarHBondContact O-N 3.33Å; L256-H260 PolarHBondContact O-ND1 3.24Å
257	N	96.3	Very high	96.1	Very high	112 Å²	112	57.6 Å²	57.6	60%	0.599	31%	0.312	S	S	*	.	H	α-helix	trans	-66.4	-38.1	175.8	-52.5	-79.1	0	0	0	111	D255 H260 Q261	D255-N257 PolarHBondContact O-N 2.93Å; D255-N257 VanDerWaalsContact OD1-CB 3.3Å; D255-N257 WeakPolarHBondContact OD1-CB 3.31Å; D255-N257 PolarHBondContact OD1-N 2.89Å; D255-N257 PolarHBondContact OD1-ND2 3.35Å; N257-H260 PolarHBondContact O-N 3.1Å; N257-Q261 PolarHBondContact O-N 3.21Å
258	S	97.1	Very high	96.2	Very high	34 Å²	34	52.3 Å²	52.3	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-39.2	171.3	-175.8	0	0	0	0	112.2	H252 D255 L256 H260	H252-S258 PolarHBondContact CE1-O 2.92Å; H252-S258 VanDerWaalsContact ND1-C 3.26Å; H252-S258 PolarHBondContact ND1-O 2.95Å; H252-S258 PolarHBondContact ND1-OG 3.34Å; D255-S258 WeakPolarHBondContact O-CB 3.42Å; D255-S258 PolarHBondContact O-N 2.89Å; D255-S258 VanDerWaalsContact OD2-CB 3.28Å; D255-S258 WeakPolarHBondContact OD2-CB 3.33Å; D255-S258 PolarHBondContact OD2-N 3.25Å; D255-S258 VanDerWaalsContact OD2-N 3.14Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.94Å; S258-H260 VanDerWaalsContact C-N 3.33Å
259	L	97.6	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-43.1	170.8	173.8	67.9	0	0	0	111.1	L184 N222 I224 H252 D255 L256 Q261 N262 I263 L268	L184-L259 HydrophobicContact CD1-CD1 3.74Å; L184-L259 HydrophobicContact CD1-CD2 4.26Å; N222-L259 HydrophobicContact CB-CD1 3.86Å; I224-L259 HydrophobicContact CG2-CB 4.27Å; I224-L259 HydrophobicContact CG2-CD1 4.18Å; I224-L259 HydrophobicContact CG2-CD2 4.07Å; I224-L259 HydrophobicContact CG2-CG 4.39Å; H252-L259 PolarHBondContact ND1-N 3.29Å; D255-L259 PolarHBondContact O-N 3.39Å; L256-L259 HydrophobicContact CD2-CD2 4.18Å; L256-L259 WeakPolarHBondContact O-CB 3.22Å; L256-L259 PolarHBondContact O-N 3.32Å; L256-L259 VanDerWaalsContact O-N 3.16Å; L259-Q261 PolarHBondContact O-N 3.39Å; L259-N262 WeakPolarHBondContact O-CA 3.49Å; L259-N262 PolarHBondContact O-N 3.05Å; L259-I263 HydrophobicContact CD1-CD1 4.1Å; L259-I263 HydrophobicContact CD1-CG1 4.25Å; L259-I263 PolarHBondContact O-N 3.03Å; L259-L268 HydrophobicContact CD2-CD1 3.85Å; L259-L268 HydrophobicContact CG-CD1 4.25Å
260	H	97.3	Very high	96.4	Very high	44 Å²	44	53 Å²	53	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-18.7	-174.8	-64	167	0	0	0	114.1	L256 N257 S258 N262 I263 P265 Y272 G273	L256-H260 WeakPolarHBondContact O-CB 3.43Å; L256-H260 PolarHBondContact O-CD2 2.76Å; L256-H260 VanDerWaalsContact O-CD2 3.24Å; L256-H260 PolarHBondContact O-N 3.33Å; L256-H260 PolarHBondContact O-ND1 3.24Å; N257-H260 PolarHBondContact O-N 3.1Å; S258-H260 VanDerWaalsContact C-N 3.33Å; H260-N262 VanDerWaalsContact C-N 3.3Å; H260-I263 WeakPolarHBondContact CA-O 3.22Å; H260-P265 HydrophobicContact CB-CG 4.13Å; H260-Y272 PolarHBondContact NE2-O 3.02Å; H260-G273 PolarHBondContact CE1-O 3.41Å; H260-G273 VanDerWaalsContact CE1-O 3.28Å
261	Q	95.2	Very high	96.4	Very high	159 Å²	159	53.9 Å²	53.9	74%	0.743	30%	0.295	S	S	*	.	H	α-helix	trans	-68.5	-27.7	167.9	-67.5	171.1	18.3	0	0	112.6	N257 L259	N257-Q261 PolarHBondContact O-N 3.21Å; L259-Q261 PolarHBondContact O-N 3.39Å
262	N	94.3	Very high	96.4	Very high	53 Å²	53	50 Å²	50	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-101.4	-33.2	-178.7	-75	-11	0	0	0	113.5	N222 F250 L259 H260	N222-N262 VanDerWaalsContact OD1-CB 3.31Å; N222-N262 WeakPolarHBondContact OD1-CB 3.21Å; N222-N262 PolarHBondContact OD1-ND2 3.42Å; F250-N262 VanDerWaalsContact CG-ND2 3.29Å; F250-N262 WeakPolarHBondContact CG-ND2 3.39Å; L259-N262 WeakPolarHBondContact O-CA 3.49Å; L259-N262 PolarHBondContact O-N 3.05Å; H260-N262 VanDerWaalsContact C-N 3.3Å
263	I	97.2	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-136.5	114.5	179.5	-47	-176	0	0	0	109.1	V141 V182 L184 N222 L259 H260 I267 L268	V141-I263 HydrophobicContact CG1-CD1 3.95Å; V141-I263 HydrophobicContact CG2-CD1 4.48Å; V141-I263 HydrophobicContact CG2-CG2 4.2Å; V182-I263 HydrophobicContact CG1-CD1 3.76Å; V182-I263 HydrophobicContact CG1-CG1 4.23Å; L184-I263 HydrophobicContact CB-CD1 4.23Å; N222-I263 HydrophobicContact CB-CD1 4.48Å; L259-I263 HydrophobicContact CD1-CD1 4.1Å; L259-I263 HydrophobicContact CD1-CG1 4.25Å; L259-I263 PolarHBondContact O-N 3.03Å; H260-I263 WeakPolarHBondContact CA-O 3.22Å; I263-I267 HydrophobicContact CG2-CD1 3.59Å; I263-I267 HydrophobicContact CG2-CG1 3.89Å; I263-L268 HydrophobicContact CB-CD1 4.29Å; I263-L268 HydrophobicContact CB-CD2 4.43Å; I263-L268 HydrophobicContact CB-CG 4.46Å; I263-L268 HydrophobicContact CG2-CD1 4.26Å; I263-L268 HydrophobicContact CG2-CD2 3.85Å; I263-L268 HydrophobicContact CG2-CG 3.91Å; I263-L268 WeakPolarHBondContact O-CD1 3.12Å
264	P	97.2	Very high	96.5	Very high	34 Å²	34	50.6 Å²	50.6	22%	0.221	29%	0.285	C	S	.	.			trans	-72	147.1	-169.5	28	-34.6	0	0	0	113.1	P136 V266 I267	P136-P264 HydrophobicContact CG-CG 3.72Å; P264-V266 HydrophobicContact CB-CG1 4.39Å; P264-V266 HydrophobicContact CG-CG1 4.45Å; P264-V266 PolarHBondContact O-N 3.33Å; P264-I267 HydrophobicContact CG-CG1 4.22Å; P264-I267 WeakPolarHBondContact O-CG1 3.25Å; P264-I267 PolarHBondContact O-N 3.49Å
265	P	97.6	Very high	96.7	Very high	47 Å²	47	50.4 Å²	50.4	31%	0.305	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-53.3	-32.2	-178.1	-29.1	34.9	0	0	0	115.1	H260 I267 L268 G274 T275	H260-P265 HydrophobicContact CB-CG 4.13Å; P265-I267 PolarHBondContact O-N 2.96Å; P265-I267 VanDerWaalsContact O-N 3.11Å; P265-L268 PolarHBondContact O-N 3.41Å; P265-L268 VanDerWaalsContact O-N 3.11Å; P265-G274 CarbonylContact O-C 3.59Å; P265-G274 WeakPolarHBondContact O-CA 3.49Å; P265-T275 PolarHBondContact O-N 3.13Å
266	V	97.5	Very high	96.7	Very high	80 Å²	80	48.7 Å²	48.7	49%	0.485	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.9	-15.3	-175.2	73	0	0	0	0	114.5	R133 P264	R133-V266 PolarHBondContact NH1-O 3.17Å; P264-V266 HydrophobicContact CB-CG1 4.39Å; P264-V266 HydrophobicContact CG-CG1 4.45Å; P264-V266 PolarHBondContact O-N 3.33Å
267	I	97.3	Very high	96.8	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-111.7	-12.4	174.9	69.5	150.7	0	0	0	113.5	R133 L134 D135 V141 I263 P264 P265	R133-I267 HydrophobicContact CB-CB 3.83Å; R133-I267 HydrophobicContact CB-CG2 3.77Å; L134-I267 WeakPolarHBondContact O-CG2 3.34Å; D135-I267 HydrophobicContact CB-CD1 3.71Å; V141-I267 HydrophobicContact CG2-CD1 3.88Å; I263-I267 HydrophobicContact CG2-CD1 3.59Å; I263-I267 HydrophobicContact CG2-CG1 3.89Å; P264-I267 HydrophobicContact CG-CG1 4.22Å; P264-I267 WeakPolarHBondContact O-CG1 3.25Å; P264-I267 PolarHBondContact O-N 3.49Å; P265-I267 PolarHBondContact O-N 2.96Å; P265-I267 VanDerWaalsContact O-N 3.11Å
268	L	98.1	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-83.1	150.9	180	-75.3	172	0	0	0	110.7	L131 L184 L259 I263 P265 Y272 G274 T275 S276	L131-L268 HydrophobicContact CD1-CD2 3.98Å; L184-L268 HydrophobicContact CD2-CD2 3.73Å; L259-L268 HydrophobicContact CD2-CD1 3.85Å; L259-L268 HydrophobicContact CG-CD1 4.25Å; I263-L268 HydrophobicContact CB-CD1 4.29Å; I263-L268 HydrophobicContact CB-CD2 4.43Å; I263-L268 HydrophobicContact CB-CG 4.46Å; I263-L268 HydrophobicContact CG2-CD1 4.26Å; I263-L268 HydrophobicContact CG2-CD2 3.85Å; I263-L268 HydrophobicContact CG2-CG 3.91Å; I263-L268 WeakPolarHBondContact O-CD1 3.12Å; P265-L268 PolarHBondContact O-N 3.41Å; P265-L268 VanDerWaalsContact O-N 3.11Å; L268-Y272 HydrophobicContact CD2-CD2 4.36Å; L268-G274 CarbonylContact O-C 3.33Å; L268-G274 VanDerWaalsContact O-CA 3.3Å; L268-G274 WeakPolarHBondContact O-CA 3.31Å; L268-T275 PolarHBondContact O-N 3.15Å; L268-S276 WeakPolarHBondContact O-CB 3.21Å; L268-S276 PolarHBondContact O-N 2.96Å
269	P	97.5	Very high	96.8	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.032	27%	0.27	C	S	.	.			trans	-75.6	165	170.1	36.3	-39.9	0	0	0	112	E271 Y272 G273 G274 G277 L279	P269-E271 PolarHBondContact O-N 3.21Å; P269-Y272 HydrophobicContact CG-CD2 3.37Å; P269-Y272 HydrophobicContact CG-CE2 3.84Å; P269-Y272 HydrophobicContact CG-CG 4.08Å; P269-Y272 CarbonylContact O-C 3.58Å; P269-Y272 PolarHBondContact O-N 3.21Å; P269-G273 PolarHBondContact O-N 3.39Å; P269-G274 WeakPolarHBondContact O-CA 3.49Å; P269-G274 PolarHBondContact O-N 3.4Å; P269-G277 CarbonylContact C-O 3.56Å; P269-G277 WeakPolarHBondContact CA-O 3.38Å; P269-G277 WeakPolarHBondContact CB-O 3.33Å; P269-L279 HydrophobicContact CB-CB 3.86Å; P269-L279 HydrophobicContact CG-CB 4.01Å; P269-L279 HydrophobicContact CG-CD1 4.19Å
270	E	97.7	Very high	96.7	Very high	108 Å²	108	52 Å²	52	51%	0.505	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-51.6	-40.1	176.6	-73.6	167.3	-151.8	0	0	112.4	Y272 G273 G277 K278	E270-Y272 PolarHBondContact O-N 3.47Å; E270-Y272 VanDerWaalsContact O-N 3.1Å; E270-G273 PolarHBondContact O-N 3.43Å; E270-G277 PolarHBondContact N-O 2.93Å; E270-G277 WeakPolarHBondContact OE1-CA 3.29Å; E270-K278 WeakPolarHBondContact OE2-CG 3.1Å
271	E	95.8	Very high	96.6	Very high	97 Å²	97	51.8 Å²	51.8	45%	0.453	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22.5	179	-67.5	88.8	161.5	0	0	113.8	P269 L279	P269-E271 PolarHBondContact O-N 3.21Å; E271-L279 PolarHBondContact OE1-N 3.17Å; E271-L279 PolarHBondContact OE2-N 3.39Å
272	Y	96.9	Very high	96.6	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.012	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-114.1	23.4	178.9	-50.9	-37.4	0	0	0	112.2	C143 R145 L184 D186 I224 H260 L268 P269 E270 G274 L279	C143-Y272 PolarHBondContact SG-OH 3.23Å; R145-Y272 WeakPolarHBondContact CD-OH 3.13Å; L184-Y272 HydrophobicContact CD2-CD2 3.5Å; L184-Y272 HydrophobicContact CD2-CE2 3.81Å; L184-Y272 HydrophobicContact CD2-CG 4.15Å; D186-Y272 HydrophobicContact CB-CE1 4.01Å; I224-Y272 HydrophobicContact CD1-CD1 3.42Å; I224-Y272 VanDerWaalsContact CD1-CD1 3.42Å; I224-Y272 HydrophobicContact CD1-CE1 3.74Å; I224-Y272 HydrophobicContact CD1-CG 4.11Å; H260-Y272 PolarHBondContact NE2-O 3.02Å; L268-Y272 HydrophobicContact CD2-CD2 4.36Å; P269-Y272 HydrophobicContact CG-CD2 3.37Å; P269-Y272 HydrophobicContact CG-CE2 3.84Å; P269-Y272 HydrophobicContact CG-CG 4.08Å; P269-Y272 CarbonylContact O-C 3.58Å; P269-Y272 PolarHBondContact O-N 3.21Å; E270-Y272 PolarHBondContact O-N 3.47Å; E270-Y272 VanDerWaalsContact O-N 3.1Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.01Å; Y272-L279 HydrophobicContact CE2-CD2 4.17Å
273	G	96.4	Very high	96.7	Very high	35 Å²	35	46.6 Å²	46.6	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	21.6	177.8	0	0	0	0	0	114	H260 P269 E270	H260-G273 PolarHBondContact CE1-O 3.41Å; H260-G273 VanDerWaalsContact CE1-O 3.28Å; P269-G273 PolarHBondContact O-N 3.39Å; E270-G273 PolarHBondContact O-N 3.43Å
274	G	97.2	Very high	96.7	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	28%	0.281	C	S	.	.			trans	-95.5	-177.1	177.9	0	0	0	0	0	114.3	P265 L268 P269 Y272	P265-G274 CarbonylContact O-C 3.59Å; P265-G274 WeakPolarHBondContact O-CA 3.49Å; L268-G274 CarbonylContact O-C 3.33Å; L268-G274 VanDerWaalsContact O-CA 3.3Å; L268-G274 WeakPolarHBondContact O-CA 3.31Å; P269-G274 WeakPolarHBondContact O-CA 3.49Å; P269-G274 PolarHBondContact O-N 3.4Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.01Å
275	T	97.1	Very high	96.7	Very high	104 Å²	104	46.8 Å²	46.8	64%	0.638	27%	0.274	S	S	*	.	S	Bend	trans	-122.4	14.7	-176.8	71.3	0	0	0	0	113.2	P265 L268 G277	P265-T275 PolarHBondContact O-N 3.13Å; L268-T275 PolarHBondContact O-N 3.15Å; T275-G277 VanDerWaalsContact C-N 3.26Å; T275-G277 PolarHBondContact O-N 3.5Å
276	S	95.8	Very high	96.7	Very high	35 Å²	35	50.7 Å²	50.7	25%	0.245	29%	0.288	C	S	.	.	S	Bend	trans	-89.1	22.4	-179.5	-165.3	0	0	0	0	113.6	L268	L268-S276 WeakPolarHBondContact O-CB 3.21Å; L268-S276 PolarHBondContact O-N 2.96Å
277	G	96.1	Very high	96.7	Very high	25 Å²	25	50.6 Å²	50.6	26%	0.258	28%	0.284	S	S	.	.			trans	77.2	-166.8	-172.6	0	0	0	0	0	112.7	P269 E270 T275	P269-G277 CarbonylContact C-O 3.56Å; P269-G277 WeakPolarHBondContact CA-O 3.38Å; P269-G277 WeakPolarHBondContact CB-O 3.33Å; E270-G277 PolarHBondContact N-O 2.93Å; E270-G277 WeakPolarHBondContact OE1-CA 3.29Å; T275-G277 VanDerWaalsContact C-N 3.26Å; T275-G277 PolarHBondContact O-N 3.5Å
278	K	97.1	Very high	96.7	Very high	151 Å²	151	50.1 Å²	50.1	66%	0.657	28%	0.282	S	S	*	.	S	Bend	trans	-72	155.7	176.4	-63.6	-177.8	-179.1	179.5	0	112.1	E270 D280	E270-K278 WeakPolarHBondContact OE2-CG 3.1Å; K278-D280 PolarHBondContact O-N 2.97Å
279	L	97	Very high	96.7	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.105	30%	0.296	C	S	.	.			trans	-63.8	101.4	176.8	178.7	59.6	0	0	0	111.5	T129 L131 P269 E271 Y272 I281	T129-L279 HydrophobicContact CG2-CD1 3.84Å; T129-L279 HydrophobicContact CG2-CG 4.49Å; L131-L279 HydrophobicContact CD2-CD1 3.63Å; P269-L279 HydrophobicContact CB-CB 3.86Å; P269-L279 HydrophobicContact CG-CB 4.01Å; P269-L279 HydrophobicContact CG-CD1 4.19Å; E271-L279 PolarHBondContact OE1-N 3.17Å; E271-L279 PolarHBondContact OE2-N 3.39Å; Y272-L279 HydrophobicContact CE2-CD2 4.17Å; L279-I281 HydrophobicContact CG-CG2 4.49Å
280	D	95.1	Very high	96.7	Very high	71 Å²	71	56.6 Å²	56.6	38%	0.38	33%	0.328	S	S	.	.			trans	-76.8	129	169.8	-175.5	31.9	0	0	0	111.5	T129 K278 S282 A283	T129-D280 PolarHBondContact OG1-O 2.84Å; K278-D280 PolarHBondContact O-N 2.97Å; D280-S282 WeakPolarHBondContact OD1-CB 3.3Å; D280-S282 PolarHBondContact OD1-N 2.74Å; D280-S282 PolarHBondContact OD1-OG 2.64Å; D280-S282 PolarHBondContact OD2-OG 2.94Å; D280-A283 WeakPolarHBondContact OD2-CB 3.24Å; D280-A283 PolarHBondContact OD2-N 3.47Å
281	I	95	Very high	96.7	Very high	39 Å²	39	51.7 Å²	51.7	20%	0.2	31%	0.305	C	S	.	.			trans	-107.6	-15.7	170.6	62.4	173.2	0	0	0	111.8	T129 L279 N285	T129-I281 HydrophobicContact CG2-CG2 4.08Å; L279-I281 HydrophobicContact CG-CG2 4.49Å; I281-N285 WeakPolarHBondContact O-CB 3.26Å; I281-N285 PolarHBondContact O-N 2.67Å; I281-N285 PolarHBondContact O-ND2 3.32Å; I281-N285 VanDerWaalsContact O-ND2 3.14Å
282	S	95.6	Very high	96.7	Very high	53 Å²	53	48.5 Å²	48.5	37%	0.371	29%	0.29	S	S	.	.	H	α-helix	trans	-73.4	-43	-171.6	69.8	0	0	0	0	112.3	D280 W284 N285 Q286	D280-S282 WeakPolarHBondContact OD1-CB 3.3Å; D280-S282 PolarHBondContact OD1-N 2.74Å; D280-S282 PolarHBondContact OD1-OG 2.64Å; D280-S282 PolarHBondContact OD2-OG 2.94Å; S282-W284 PolarHBondContact O-N 3.38Å; S282-N285 PolarHBondContact O-N 3.43Å; S282-Q286 WeakPolarHBondContact O-CB 3.21Å; S282-Q286 VanDerWaalsContact O-CG 3.26Å; S282-Q286 WeakPolarHBondContact O-CG 3.18Å; S282-Q286 PolarHBondContact O-N 2.9Å
283	A	95.6	Very high	96.6	Very high	51 Å²	51	54.9 Å²	54.9	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-47.1	179.9	0	0	0	0	0	113	D280 Q286 L287	D280-A283 WeakPolarHBondContact OD2-CB 3.24Å; D280-A283 PolarHBondContact OD2-N 3.47Å; A283-Q286 PolarHBondContact O-N 3.15Å; A283-L287 WeakPolarHBondContact O-CB 3.19Å; A283-L287 PolarHBondContact O-N 3.4Å
284	W	97.6	Very high	96.4	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-39.9	178.9	-169.5	-105.4	0	0	0	112.1	T129 V130 T166 K169 L170 S282 L287 L288	T129-W284 WeakPolarHBondContact OG1-CB 3.32Å; V130-W284 HydrophobicContact CB-CD2 3.67Å; V130-W284 HydrophobicContact CB-CE3 3.65Å; V130-W284 HydrophobicContact CB-CG 4.17Å; V130-W284 HydrophobicContact CB-CH2 4.42Å; V130-W284 HydrophobicContact CB-CZ2 4.43Å; V130-W284 HydrophobicContact CB-CZ3 4.02Å; V130-W284 HydrophobicContact CG1-CE3 4.41Å; V130-W284 HydrophobicContact CG1-CZ3 4.38Å; V130-W284 HydrophobicContact CG2-CD2 3.59Å; V130-W284 VanDerWaalsContact CG2-CE2 3.4Å; V130-W284 HydrophobicContact CG2-CE3 3.93Å; V130-W284 HydrophobicContact CG2-CG 4.17Å; V130-W284 HydrophobicContact CG2-CH2 3.98Å; V130-W284 HydrophobicContact CG2-CZ2 3.64Å; V130-W284 HydrophobicContact CG2-CZ3 4.09Å; T166-W284 HydrophobicContact CG2-CZ2 3.82Å; T166-W284 PolarHBondContact OG1-NE1 3.16Å; T166-W284 VanDerWaalsContact OG1-NE1 3.13Å; K169-W284 HydrophobicContact CB-CH2 4.4Å; K169-W284 HydrophobicContact CB-CZ2 4.31Å; K169-W284 HydrophobicContact CG-CH2 4.35Å; L170-W284 HydrophobicContact CD2-CH2 3.6Å; L170-W284 HydrophobicContact CD2-CZ2 4.29Å; L170-W284 HydrophobicContact CD2-CZ3 4.26Å; L170-W284 HydrophobicContact CG-CH2 3.84Å; L170-W284 HydrophobicContact CG-CZ2 4.08Å; S282-W284 PolarHBondContact O-N 3.38Å; W284-L287 HydrophobicContact CE3-CD2 3.79Å; W284-L287 HydrophobicContact CH2-CD2 4.16Å; W284-L287 HydrophobicContact CZ3-CD2 3.52Å; W284-L287 PolarHBondContact O-N 2.74Å; W284-L288 HydrophobicContact CZ2-CD2 4.3Å; W284-L288 PolarHBondContact O-N 3.48Å
285	N	97.1	Very high	96.3	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-44.4	175.7	-72	-12.7	0	0	0	112.1	L123 I281 S282 L288 L289	L123-N285 HydrophobicContact CB-CB 4.41Å; L123-N285 PolarHBondContact O-ND2 2.72Å; L123-N285 PolarHBondContact O-OD1 2.85Å; I281-N285 WeakPolarHBondContact O-CB 3.26Å; I281-N285 PolarHBondContact O-N 2.67Å; I281-N285 PolarHBondContact O-ND2 3.32Å; I281-N285 VanDerWaalsContact O-ND2 3.14Å; S282-N285 PolarHBondContact O-N 3.43Å; N285-L288 PolarHBondContact O-N 2.89Å; N285-L289 WeakPolarHBondContact O-CB 3.44Å; N285-L289 VanDerWaalsContact O-CG 3.28Å; N285-L289 WeakPolarHBondContact O-CG 3.03Å; N285-L289 PolarHBondContact O-N 3.48Å
286	Q	97.4	Very high	96	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.603	30%	0.302	S	S	*	.	H	α-helix	trans	-63.5	-42.3	176.4	-73.9	172.8	6.2	0	0	111.4	S282 A283 L289 A290	S282-Q286 WeakPolarHBondContact O-CB 3.21Å; S282-Q286 VanDerWaalsContact O-CG 3.26Å; S282-Q286 WeakPolarHBondContact O-CG 3.18Å; S282-Q286 PolarHBondContact O-N 2.9Å; A283-Q286 PolarHBondContact O-N 3.15Å; Q286-L289 PolarHBondContact O-N 3.29Å; Q286-A290 VanDerWaalsContact O-CB 3.24Å; Q286-A290 WeakPolarHBondContact O-CB 3.2Å; Q286-A290 PolarHBondContact O-N 2.96Å
287	L	97.8	Very high	95.7	Very high	77 Å²	77	57.2 Å²	57.2	40%	0.403	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175.6	178.9	64.6	0	0	0	112.1	A283 W284 A290 S291	A283-L287 WeakPolarHBondContact O-CB 3.19Å; A283-L287 PolarHBondContact O-N 3.4Å; W284-L287 HydrophobicContact CE3-CD2 3.79Å; W284-L287 HydrophobicContact CH2-CD2 4.16Å; W284-L287 HydrophobicContact CZ3-CD2 3.52Å; W284-L287 PolarHBondContact O-N 2.74Å; L287-A290 PolarHBondContact O-N 3.27Å; L287-S291 WeakPolarHBondContact O-CB 3.43Å; L287-S291 PolarHBondContact O-N 3.45Å; L287-S291 VanDerWaalsContact O-N 3.14Å; L287-S291 PolarHBondContact O-OG 2.85Å
288	L	97.8	Very high	95.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-48.9	176.3	-72.6	-179.9	0	0	0	111.2	P116 L123 K169 W284 N285 A290 S291 F295	P116-L288 WeakPolarHBondContact CG-O 3.47Å; L123-L288 HydrophobicContact CD1-CB 4.47Å; L123-L288 HydrophobicContact CD2-CD1 3.8Å; K169-L288 HydrophobicContact CB-CD2 3.94Å; K169-L288 HydrophobicContact CG-CD2 4.35Å; W284-L288 HydrophobicContact CZ2-CD2 4.3Å; W284-L288 PolarHBondContact O-N 3.48Å; N285-L288 PolarHBondContact O-N 2.89Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3Å; L288-S291 PolarHBondContact O-N 2.94Å; L288-F295 HydrophobicContact CD2-CE2 4.04Å; L288-F295 HydrophobicContact CD2-CZ 3.85Å
289	L	97.5	Very high	94.7	Very high	57 Å²	57	51.9 Å²	51.9	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-37	178.8	-70.4	167	0	0	0	112.8	P116 L123 N285 Q286 S291 E292	P116-L289 HydrophobicContact CB-CD2 3.94Å; P116-L289 HydrophobicContact CB-CG 4.47Å; L123-L289 HydrophobicContact CD1-CD2 4.32Å; L123-L289 HydrophobicContact CD1-CG 4.31Å; N285-L289 WeakPolarHBondContact O-CB 3.44Å; N285-L289 VanDerWaalsContact O-CG 3.28Å; N285-L289 WeakPolarHBondContact O-CG 3.03Å; N285-L289 PolarHBondContact O-N 3.48Å; Q286-L289 PolarHBondContact O-N 3.29Å; L289-S291 PolarHBondContact O-N 3.46Å; L289-E292 PolarHBondContact O-N 3.25Å
290	A	97.8	Very high	93.9	Very high	85 Å²	85	54 Å²	54	70%	0.702	30%	0.3	S	S	*	.	H	α-helix	trans	-70.9	-17.7	174.9	0	0	0	0	0	113.4	Q286 L287 L288	Q286-A290 VanDerWaalsContact O-CB 3.24Å; Q286-A290 WeakPolarHBondContact O-CB 3.2Å; Q286-A290 PolarHBondContact O-N 2.96Å; L287-A290 PolarHBondContact O-N 3.27Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3Å
291	S	97.1	Very high	92.5	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.035	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.2	178.2	-50.5	0	0	0	0	113	K169 L287 L288 L289 E293 D294 F295	K169-S291 WeakPolarHBondContact CE-OG 3.34Å; K169-S291 PolarHBondContact NZ-OG 3.13Å; L287-S291 WeakPolarHBondContact O-CB 3.43Å; L287-S291 PolarHBondContact O-N 3.45Å; L287-S291 VanDerWaalsContact O-N 3.14Å; L287-S291 PolarHBondContact O-OG 2.85Å; L288-S291 PolarHBondContact O-N 2.94Å; L289-S291 PolarHBondContact O-N 3.46Å; S291-E293 PolarHBondContact O-N 3.41Å; S291-D294 WeakPolarHBondContact O-CB 3.44Å; S291-D294 PolarHBondContact O-N 2.98Å; S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 2.72Å
292	E	96.2	Very high	90.9	Very high	29 Å²	29	52.2 Å²	52.2	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43.8	-174.5	178.5	141.8	145.6	0	0	113.1	K115 P116 S117 L289 D294 F295 L296	K115-E292 HydrophobicContact CB-CG 4.49Å; K115-E292 WeakPolarHBondContact CD-OE1 3.47Å; K115-E292 WeakPolarHBondContact CE-OE1 3.22Å; K115-E292 IonicContact NZ-OE1 2.75Å; K115-E292 PolarHBondContact NZ-OE1 3.07Å; P116-E292 HydrophobicContact CG-CB 4.43Å; S117-E292 WeakPolarHBondContact CA-OE2 3.49Å; S117-E292 WeakPolarHBondContact CB-OE1 3.47Å; S117-E292 WeakPolarHBondContact CB-OE2 3.26Å; S117-E292 PolarHBondContact N-OE2 3.09Å; S117-E292 PolarHBondContact OG-OE1 3.41Å; S117-E292 PolarHBondContact OG-OE2 3.02Å; L289-E292 PolarHBondContact O-N 3.25Å; E292-D294 VanDerWaalsContact C-N 3.35Å; E292-D294 PolarHBondContact O-N 3.24Å; E292-F295 PolarHBondContact O-N 3.35Å; E292-L296 HydrophobicContact CG-CD1 4.14Å; E292-L296 HydrophobicContact CG-CG 4.41Å; E292-L296 WeakPolarHBondContact O-CG 3.33Å; E292-L296 PolarHBondContact O-N 3.31Å
293	E	94.8	Very high	89	Confident	138 Å²	138	54.8 Å²	54.8	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-65.7	-36.6	178.7	-59.6	-58.7	158.1	0	0	112	S291 F295 L296 H297	S291-E293 PolarHBondContact O-N 3.41Å; E293-F295 VanDerWaalsContact C-N 3.3Å; E293-F295 PolarHBondContact O-N 2.75Å; E293-L296 PolarHBondContact O-N 3.02Å; E293-H297 WeakPolarHBondContact O-CB 3.43Å; E293-H297 PolarHBondContact O-N 3Å
294	D	92.9	Very high	86.8	Confident	68 Å²	68	57.5 Å²	57.5	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-56.1	-46.4	172.7	-57.3	-12.3	0	0	0	110.5	K169 S291 E292 H297 D298	K169-D294 IonicContact NZ-OD2 2.77Å; K169-D294 PolarHBondContact NZ-OD2 3.32Å; S291-D294 WeakPolarHBondContact O-CB 3.44Å; S291-D294 PolarHBondContact O-N 2.98Å; E292-D294 VanDerWaalsContact C-N 3.35Å; E292-D294 PolarHBondContact O-N 3.24Å; D294-H297 PolarHBondContact O-N 3.13Å; D294-D298 VanDerWaalsContact O-CB 3.29Å; D294-D298 WeakPolarHBondContact O-CB 3.17Å; D294-D298 PolarHBondContact O-N 3.18Å
295	F	93.9	Very high	84.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-40.4	-180	-71.2	-64.4	0	0	0	112.5	P116 L165 E168 K169 L288 S291 E292 E293 F299	P116-F295 HydrophobicContact CG-CD2 3.43Å; P116-F295 VanDerWaalsContact CG-CD2 3.43Å; P116-F295 HydrophobicContact CG-CE2 3.6Å; L165-F295 HydrophobicContact CB-CE1 4.38Å; L165-F295 HydrophobicContact CB-CZ 4.16Å; L165-F295 HydrophobicContact CD2-CB 4.43Å; L165-F295 HydrophobicContact CD2-CD1 3.47Å; L165-F295 VanDerWaalsContact CD2-CD1 3.47Å; L165-F295 HydrophobicContact CD2-CD2 4.01Å; L165-F295 HydrophobicContact CD2-CE1 3.52Å; L165-F295 HydrophobicContact CD2-CE2 4.04Å; L165-F295 HydrophobicContact CD2-CG 3.72Å; L165-F295 HydrophobicContact CD2-CZ 3.79Å; L165-F295 WeakPolarHBondContact O-CZ 3.09Å; E168-F295 HydrophobicContact CB-CE1 3.85Å; K169-F295 HydrophobicContact CB-CZ 4.08Å; K169-F295 HydrophobicContact CD-CZ 4.41Å; L288-F295 HydrophobicContact CD2-CE2 4.04Å; L288-F295 HydrophobicContact CD2-CZ 3.85Å; S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 2.72Å; E292-F295 PolarHBondContact O-N 3.35Å; E293-F295 VanDerWaalsContact C-N 3.3Å; E293-F295 PolarHBondContact O-N 2.75Å; F295-F299 HydrophobicContact CB-CD2 4.3Å; F295-F299 HydrophobicContact CB-CE2 4.06Å; F295-F299 AromaticContact CD1-CE2 3.94Å; F295-F299 HydrophobicContact CD1-CE2 3.94Å; F295-F299 AromaticContact CD1-CZ 3.87Å; F295-F299 HydrophobicContact CD1-CZ 3.87Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.49Å; F295-F299 WeakPolarHBondContact O-CG 3.26Å; F295-F299 PolarHBondContact O-N 3.4Å
296	L	91.8	Very high	82.1	Confident	67 Å²	67	60.7 Å²	60.7	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-45.5	176.2	-70.9	175.8	0	0	0	110.8	K115 E292 E293 S300	K115-L296 HydrophobicContact CB-CD2 4.4Å; K115-L296 HydrophobicContact CD-CD2 3.84Å; E292-L296 HydrophobicContact CG-CD1 4.14Å; E292-L296 HydrophobicContact CG-CG 4.41Å; E292-L296 WeakPolarHBondContact O-CG 3.33Å; E292-L296 PolarHBondContact O-N 3.31Å; E293-L296 PolarHBondContact O-N 3.02Å; L296-S300 VanDerWaalsContact O-CB 3.26Å; L296-S300 WeakPolarHBondContact O-CB 3.33Å; L296-S300 PolarHBondContact O-N 2.94Å; L296-S300 PolarHBondContact O-OG 3.43Å
297	H	88.7	Confident	79.5	Confident	95 Å²	95	62.3 Å²	62.3	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-58.6	174.8	175.7	-92.6	0	0	0	111.9	E293 D294 F299 S300 Q301	E293-H297 WeakPolarHBondContact O-CB 3.43Å; E293-H297 PolarHBondContact O-N 3Å; D294-H297 PolarHBondContact O-N 3.13Å; H297-F299 VanDerWaalsContact C-N 3.27Å; H297-F299 PolarHBondContact O-N 3.45Å; H297-S300 PolarHBondContact O-N 3.04Å; H297-S300 PolarHBondContact O-OG 3.36Å; H297-Q301 PolarHBondContact CE1-NE2 2.81Å; H297-Q301 PolarHBondContact NE2-NE2 3.46Å; H297-Q301 PolarHBondContact O-N 3.06Å; H297-Q301 VanDerWaalsContact O-N 3.09Å
298	D	86.4	Confident	76.5	Confident	41 Å²	41	62.5 Å²	62.5	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-38.8	-176.6	-79	6	0	0	0	111.7	Q172 D294 L302	Q172-D298 PolarHBondContact NE2-OD2 3.37Å; D294-D298 VanDerWaalsContact O-CB 3.29Å; D294-D298 WeakPolarHBondContact O-CB 3.17Å; D294-D298 PolarHBondContact O-N 3.18Å; D298-L302 WeakPolarHBondContact O-CD1 3.47Å; D298-L302 VanDerWaalsContact O-CG 3.3Å; D298-L302 WeakPolarHBondContact O-CG 3.15Å
299	F	85.9	Confident	73.5	Confident	24 Å²	24	65.6 Å²	65.6	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-79.6	-21.9	178.1	-60.2	-25.5	0	0	0	114.2	R104 L114 L165 E168 F295 H297 L302	R104-F299 VanDerWaalsContact NH1-CE1 3.34Å; L114-F299 HydrophobicContact CB-CD2 4.35Å; L114-F299 HydrophobicContact CB-CE2 4.1Å; L114-F299 HydrophobicContact CD2-CE2 3.93Å; L114-F299 HydrophobicContact CD2-CZ 4.04Å; L114-F299 HydrophobicContact CG-CE2 3.79Å; L114-F299 HydrophobicContact CG-CZ 4.36Å; L114-F299 VanDerWaalsContact O-CD2 3.24Å; L114-F299 WeakPolarHBondContact O-CD2 3.4Å; L114-F299 WeakPolarHBondContact O-CE2 3.48Å; L165-F299 HydrophobicContact CD2-CE2 3.88Å; L165-F299 HydrophobicContact CD2-CZ 4.16Å; E168-F299 HydrophobicContact CG-CE1 4.09Å; E168-F299 HydrophobicContact CG-CZ 4.06Å; F295-F299 HydrophobicContact CB-CD2 4.3Å; F295-F299 HydrophobicContact CB-CE2 4.06Å; F295-F299 AromaticContact CD1-CE2 3.94Å; F295-F299 HydrophobicContact CD1-CE2 3.94Å; F295-F299 AromaticContact CD1-CZ 3.87Å; F295-F299 HydrophobicContact CD1-CZ 3.87Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.22Å; F295-F299 WeakPolarHBondContact O-CD2 3.49Å; F295-F299 WeakPolarHBondContact O-CG 3.26Å; F295-F299 PolarHBondContact O-N 3.4Å; H297-F299 VanDerWaalsContact C-N 3.27Å; H297-F299 PolarHBondContact O-N 3.45Å; F299-L302 HydrophobicContact CD1-CD1 4.36Å
300	S	79.6	Confident	70.6	Confident	65 Å²	65	68.7 Å²	68.7	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-74.1	-39.6	172.6	74.3	0	0	0	0	112.7	L296 H297 L302 V303	L296-S300 VanDerWaalsContact O-CB 3.26Å; L296-S300 WeakPolarHBondContact O-CB 3.33Å; L296-S300 PolarHBondContact O-N 2.94Å; L296-S300 PolarHBondContact O-OG 3.43Å; H297-S300 PolarHBondContact O-N 3.04Å; H297-S300 PolarHBondContact O-OG 3.36Å; S300-L302 PolarHBondContact O-N 2.91Å; S300-V303 WeakPolarHBondContact O-CB 3.28Å; S300-V303 PolarHBondContact O-N 3.42Å
301	Q	66.4	Low	67.7	Low	57 Å²	57	72.5 Å²	72.5	27%	0.266	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-27.7	178.3	-69.6	-156.7	-7.7	0	0	112.8	H297 V303 L304	H297-Q301 PolarHBondContact CE1-NE2 2.81Å; H297-Q301 PolarHBondContact NE2-NE2 3.46Å; H297-Q301 PolarHBondContact O-N 3.06Å; H297-Q301 VanDerWaalsContact O-N 3.09Å; Q301-V303 PolarHBondContact O-N 3.44Å; Q301-L304 PolarHBondContact O-N 3.34Å
302	L	61.8	Low	64.6	Low	15 Å²	15	78.9 Å²	78.9	8%	0.079	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	23	176.7	-62.2	168.2	0	0	0	113.4	G71 C73 F78 Y100 D298 F299 S300	G71-L302 CarbonylContact O-C 3.36Å; G71-L302 VanDerWaalsContact O-O 3.13Å; C73-L302 HydrophobicContact CB-CD2 4.19Å; F78-L302 HydrophobicContact CE1-CD2 4.3Å; F78-L302 HydrophobicContact CE2-CD2 4.08Å; F78-L302 HydrophobicContact CZ-CD2 3.64Å; Y100-L302 HydrophobicContact CE1-CD1 3.96Å; Y100-L302 HydrophobicContact CE1-CD2 4.44Å; Y100-L302 WeakPolarHBondContact OH-CD1 3.21Å; D298-L302 WeakPolarHBondContact O-CD1 3.47Å; D298-L302 VanDerWaalsContact O-CG 3.3Å; D298-L302 WeakPolarHBondContact O-CG 3.15Å; F299-L302 HydrophobicContact CD1-CD1 4.36Å; S300-L302 PolarHBondContact O-N 2.91Å
303	V	55.5	Low	61.6	Low	107 Å²	107	85.4 Å²	85.4	65%	0.648	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-16.8	173.4	-172.2	0	0	0	0	111.5	S300 Q301 P305	S300-V303 WeakPolarHBondContact O-CB 3.28Å; S300-V303 PolarHBondContact O-N 3.42Å; Q301-V303 PolarHBondContact O-N 3.44Å; V303-P305 WeakPolarHBondContact O-CD 3.43Å
304	L	48.5	Very low	58.9	Low	107 Å²	107	86.5 Å²	86.5	56%	0.56	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-77.4	121.5	-177.3	-64.9	176.5	0	0	0	111.1	G71 Q301	G71-L304 CarbonylContact C-O 3.39Å; G71-L304 WeakPolarHBondContact CA-O 3.2Å; Q301-L304 PolarHBondContact O-N 3.34Å
305	P	48.4	Very low	56	Low	72 Å²	72	90.1 Å²	90.1	47%	0.468	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-59.5	158	174.5	-22.8	34.5	0	0	0	112.7	V303 D307	V303-P305 WeakPolarHBondContact O-CD 3.43Å; P305-D307 PolarHBondContact O-N 3.14Å
306	C	47.9	Very low	53.1	Low	34 Å²	34	95.8 Å²	95.8	23%	0.23	54%	0.543	C	S	.	.	S	Bend	trans	-64.9	130.7	151.7	-66.5	0	0	0	0	106.9
307	D	42.4	Very low	50.1	Low	163 Å²	163	95.5 Å²	95.5	87%	0.872	56%	0.556	S	S	*	*			trans	62.5	79.8	-175.8	-51.8	-24.7	0	0	0	115.5	P305	P305-D307 PolarHBondContact O-N 3.14Å
308	S	36.1	Very low	47.2	Very low	81 Å²	81	99.1 Å²	99.1	57%	0.566	58%	0.579	S	S	*	*			trans	-108.3	98.3	145.9	64.1	0	0	0	0	109
309	S	34.8	Very low	44.9	Very low	65 Å²	65	102 Å²	102	46%	0.455	61%	0.608	S	S	.	*			trans	-64.4	154.9	166.1	88.1	0	0	0	0	109.5	H311	S309-H311 PolarHBondContact O-N 3.47Å; S309-H311 PolarHBondContact OG-N 2.84Å
310	P	36.4	Very low	42.1	Very low	122 Å²	122	108 Å²	108	79%	0.792	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-3	-178.5	-22.4	34.4	0	0	0	115.6
311	H	35.2	Very low	40	Very low	166 Å²	166	114 Å²	114	77%	0.769	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-18.1	-168.5	-89.4	-68.1	0	0	0	116.1	S309 M313	S309-H311 PolarHBondContact O-N 3.47Å; S309-H311 PolarHBondContact OG-N 2.84Å; H311-M313 PolarHBondContact O-N 3.42Å
312	D	32.5	Very low	38.2	Very low	138 Å²	138	120 Å²	120	74%	0.738	69%	0.687	S	S	*	*			trans	-88.4	5.1	-173	-66.3	-39.9	0	0	0	114.9	L314	D312-L314 PolarHBondContact O-N 2.96Å; D312-L314 VanDerWaalsContact O-N 3.16Å
313	M	33.8	Very low	36.7	Very low	167 Å²	167	129 Å²	129	82%	0.823	73%	0.729	S	S	*	*	S	Bend	trans	-80.9	20.8	-179.2	-79.1	-98.5	69.9	0	0	114.9	H311	H311-M313 PolarHBondContact O-N 3.42Å
314	L	38.7	Very low	35.3	Very low	161 Å²	161	130.1 Å²	130.1	84%	0.843	74%	0.74	S	S	*	*			trans	-144.3	67.6	-178	-74	178.8	0	0	0	115.4	D312	D312-L314 PolarHBondContact O-N 2.96Å; D312-L314 VanDerWaalsContact O-N 3.16Å
315	V	31.5	Very low	34.3	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	75%	0.753	S	S	*	*			trans	-142.6	109.3	139.4	-174.7	0	0	0	0	110.1
316	S	33.5	Very low	33.6	Very low	122 Å²	122	135.3 Å²	135.3	85%	0.853	77%	0.765	S	S	*	*			trans	-99.9	125.2	158.7	56.8	0	0	0	0	108.7
317	G	29.1	Very low	32.7	Very low	61 Å²	61	139.1 Å²	139.1	63%	0.629	79%	0.791	S	S	*	*			trans	176.7	105.6	176.7	0	0	0	0	0	114.5
318	D	27.4	Very low	32.1	Very low	171 Å²	171	139.3 Å²	139.3	91%	0.914	79%	0.791	S	S	*	*			trans	63.4	137.6	158.8	-59.9	-29.3	0	0	0	121.3
319	A	37.1	Very low	31.9	Very low	102 Å²	102	147.4 Å²	147.4	84%	0.843	81%	0.81	S	S	*	*			trans	-90.3	149.3	173.2	0	0	0	0	0	110.2
320	D	27.1	Very low	31.7	Very low	149 Å²	149	147.2 Å²	147.2	80%	0.797	82%	0.818	S	S	*	*			trans	-146.1	129.3	158.4	-146.2	3.3	0	0	0	110	K322	D320-K322 PolarHBondContact O-N 3.16Å
321	E	35.7	Very low	31.3	Very low	190 Å²	190	150.6 Å²	150.6	89%	0.888	83%	0.826	S	S	*	*			trans	-75.8	112.7	-177.3	-70	-177.9	120.2	0	0	110.6
322	K	29.2	Very low	31	Very low	185 Å²	185	152.5 Å²	152.5	80%	0.804	83%	0.831	S	S	*	*			trans	-128.8	100.5	161.1	-77.6	-173	178.1	157.5	0	113.6	D320 C324	D320-K322 PolarHBondContact O-N 3.16Å; K322-C324 PolarHBondContact O-N 3.36Å
323	Q	29	Very low	31	Very low	202 Å²	202	151.6 Å²	151.6	94%	0.944	83%	0.833	S	S	*	*			trans	-33.3	123.3	155.4	-163	166.3	19	0	0	111.7
324	C	27.4	Very low	30.8	Very low	131 Å²	131	152 Å²	152	89%	0.885	83%	0.833	S	S	*	*			trans	-111.4	129.8	176.1	-151.4	0	0	0	0	109.9	K322	K322-C324 PolarHBondContact O-N 3.36Å
325	D	27.3	Very low	30.4	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	83%	0.832	S	S	*	*			trans	-85	163.2	-163.9	-162.5	11.3	0	0	0	113.5	S327	D325-S327 PolarHBondContact O-N 3.32Å
326	D	32.9	Very low	30.4	Very low	134 Å²	134	154.9 Å²	154.9	72%	0.717	83%	0.83	S	S	*	*			trans	-74.6	112.5	-171.6	-158.9	-2.1	0	0	0	111.7
327	S	29.3	Very low	30.1	Very low	113 Å²	113	159.4 Å²	159.4	79%	0.79	83%	0.829	S	S	*	*			trans	-159.8	78.4	169.7	-86.5	0	0	0	0	113.8	D325	D325-S327 PolarHBondContact O-N 3.32Å
328	L	30.9	Very low	30.1	Very low	167 Å²	167	162.3 Å²	162.3	87%	0.874	84%	0.839	S	S	*	*			trans	-155.9	46.8	153.8	-111.1	164.3	0	0	0	113.4	G330	L328-G330 PolarHBondContact O-N 3.27Å
329	R	31.3	Very low	30.5	Very low	251 Å²	251	168.8 Å²	168.8	95%	0.947	85%	0.853	S	S	*	*			trans	-75.7	103	161.3	-86.6	-171.9	176.5	-173.3	1.9	109.6
330	G	30	Very low	30.2	Very low	61 Å²	61	172.1 Å²	172.1	63%	0.629	85%	0.853	S	S	*	*			trans	-170.2	26.4	-174.2	0	0	0	0	0	120.7	L328	L328-G330 PolarHBondContact O-N 3.27Å
331	M	28.5	Very low	30.3	Very low	194 Å²	194	173.3 Å²	173.3	96%	0.956	86%	0.856	S	S	*	*			trans	-161.2	115.3	159.9	-110.4	161.1	-162.3	0	0	112.5
332	K	29.9	Very low	30	Very low	205 Å²	205	172.4 Å²	172.4	89%	0.891	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-88.3	136.2	167.9	-74.1	-177.9	176.9	178.7	0	109.4
333	P	31.5	Very low	30.1	Very low	120 Å²	120	171.6 Å²	171.6	78%	0.779	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.1	168.6	30.8	-32.2	0	0	0	110.6
334	Q	29.1	Very low	30.1	Very low	175 Å²	175	169.8 Å²	169.8	82%	0.818	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-77.8	123.7	165.5	-75.6	-173.5	-12.1	0	0	109.5
335	L	30.3	Very low	30.3	Very low	156 Å²	156	172.3 Å²	172.3	82%	0.817	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.9	170.4	-72.2	157.2	0	0	0	109.4
336	Y	31.5	Very low	30.6	Very low	209 Å²	209	173.6 Å²	173.6	82%	0.82	85%	0.851	S	S	*	*			trans	-113.4	114.1	159.2	-91.4	-86	0	0	0	109.5
337	Y	27.6	Very low	30.4	Very low	216 Å²	216	176.6 Å²	176.6	85%	0.847	86%	0.861	S	S	*	*			trans	-76.2	137.6	157.1	-94.1	-98.4	0	0	0	108.8
338	C	28.9	Very low	30.5	Very low	122 Å²	122	181.9 Å²	181.9	82%	0.824	87%	0.867	S	S	*	*			trans	-158.4	144.1	140.9	-97.8	0	0	0	0	109.8
339	Y	36	Very low	30.4	Very low	307 Å²	307	183.3 Å²	183.3	100%	1.204	87%	0.867	S	S	*	*			trans	-29	0	-176.6	-67.7	-90.1	0	0	0	118.7

Retrieved 339 of 339 residues in 525.9 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).