A0A077Z4S9_TRITR Loading...

Period circadian protein

AlphaFold DB , UniProt , Accession A0A077Z4S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 691 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	29.5	Very low	30.4	Very low	244 Å²	244	182.4 Å²	182.4	100%	1.202	88%	0.884	S	S	*	*				0	121.6	0	-91.1	177.1	176.7	0	0	109.1
2	K	27.9	Very low	30.1	Very low	205 Å²	205	176.4 Å²	176.4	89%	0.891	88%	0.875	S	S	*	*			trans	66.7	84.5	172.6	-63.9	-177.8	176.8	178.9	0	117.8
3	R	29.1	Very low	29.9	Very low	243 Å²	243	171.3 Å²	171.3	92%	0.917	87%	0.867	S	S	*	*	S	Bend	trans	173	20.9	138.3	-98.8	177.9	-172.9	-164.5	2.3	116.5
4	W	34.1	Very low	29.7	Very low	252 Å²	252	169.2 Å²	169.2	96%	0.955	86%	0.857	S	S	*	*			trans	-123.5	37	-176.9	-88.2	46.6	0	0	0	113
5	A	31	Very low	29.5	Very low	83 Å²	83	171 Å²	171	69%	0.686	86%	0.857	S	S	*	*			trans	-118.8	105.2	169.3	0	0	0	0	0	106.2
6	D	32.1	Very low	29.3	Very low	152 Å²	152	165.9 Å²	165.9	81%	0.813	86%	0.861	S	S	*	*			trans	151.7	82	156.8	-75.4	-21.2	0	0	0	108.6
7	D	33.5	Very low	29.1	Very low	170 Å²	170	161.5 Å²	161.5	91%	0.909	85%	0.854	S	S	*	*			trans	-161.2	110.6	131.8	-106.2	-19.8	0	0	0	110.6
8	K	29.5	Very low	29	Very low	186 Å²	186	159.1 Å²	159.1	81%	0.809	84%	0.841	S	S	*	*			trans	-69.9	121.2	175.8	-65.4	169.6	176.4	173.6	0	108
9	Y	30.7	Very low	28.8	Very low	235 Å²	235	159.3 Å²	159.3	92%	0.922	84%	0.836	S	S	*	*			trans	171.9	86.7	146.4	-90.7	-68.1	0	0	0	108.4
10	C	28.7	Very low	28.8	Very low	126 Å²	126	157.2 Å²	157.2	85%	0.851	83%	0.825	S	S	*	*			trans	170.4	116.8	138	-101.2	0	0	0	0	110.1
11	S	28.8	Very low	28.7	Very low	110 Å²	110	154.1 Å²	154.1	77%	0.769	82%	0.815	S	S	*	*			trans	-71.9	129.2	-179.9	52.1	0	0	0	0	113.2
12	S	26.4	Very low	28.9	Very low	111 Å²	111	147 Å²	147	78%	0.776	80%	0.795	S	S	*	*			trans	28.8	110.9	134.4	60.6	0	0	0	0	120.4
13	S	28.1	Very low	29	Very low	110 Å²	110	146 Å²	146	77%	0.769	79%	0.791	S	S	*	*			trans	179.5	90.6	137.3	176.2	0	0	0	0	108.3
14	I	26.8	Very low	29.4	Very low	142 Å²	142	144.9 Å²	144.9	73%	0.728	79%	0.787	S	S	*	*				40.5	119.8	107	-43.6	-178.3	0	0	0	114.2
15	F	26.1	Very low	29.6	Very low	196 Å²	196	135.4 Å²	135.4	86%	0.86	77%	0.767	S	S	*	*	S	Bend	trans	86.1	99.6	177.1	-71.6	-80	0	0	0	118.5
16	G	25.7	Very low	29.9	Very low	89 Å²	89	134.8 Å²	134.8	92%	0.918	75%	0.752	S	S	*	*			trans	55	67.7	139.1	0	0	0	0	0	118.4
17	A	26.1	Very low	30.3	Very low	91 Å²	91	129.7 Å²	129.7	75%	0.752	72%	0.724	S	S	*	*			trans	-151.3	122	163.7	0	0	0	0	0	110.5	Q19	A17-Q19 PolarHBondContact O-N 3.39Å
18	I	27.4	Very low	30.6	Very low	118 Å²	118	127.3 Å²	127.3	61%	0.605	70%	0.703	S	S	*	*			trans	-64	119.7	169.2	-71.9	173.5	0	0	0	108.2	C54	I18-C54 HydrophobicContact CD1-CB 3.91Å; I18-C54 WeakPolarHBondContact CD1-SG 3.48Å
19	Q	25.5	Very low	31.3	Very low	163 Å²	163	119 Å²	119	76%	0.762	67%	0.667	S	S	*	*			trans	-91.1	105.5	174.8	-161.7	168	-12.1	0	0	108.3	A17 C21	A17-Q19 PolarHBondContact O-N 3.39Å; Q19-C21 PolarHBondContact O-N 3.47Å; Q19-C21 VanDerWaalsContact O-N 3.09Å
20	I	29.6	Very low	31.8	Very low	117 Å²	117	110.2 Å²	110.2	60%	0.6	64%	0.638	S	S	*	*			trans	-70.2	101.8	170	-59.8	171.6	0	0	0	106.9	K48	I20-K48 HydrophobicContact CD1-CD 4.49Å; I20-K48 HydrophobicContact CD1-CG 4.29Å
21	C	26.8	Very low	32.6	Very low	93 Å²	93	105.6 Å²	105.6	63%	0.628	61%	0.607	S	S	*	*			trans	-92.6	101.3	177.1	-143.9	0	0	0	0	109.3	Q19 K23	Q19-C21 PolarHBondContact O-N 3.47Å; Q19-C21 VanDerWaalsContact O-N 3.09Å; C21-K23 PolarHBondContact O-N 3.22Å
22	A	32.4	Very low	33.4	Very low	94 Å²	94	101.5 Å²	101.5	78%	0.777	58%	0.58	S	S	*	*			trans	-72.6	40.2	174.7	0	0	0	0	0	113.3
23	K	30.8	Very low	34.8	Very low	185 Å²	185	106 Å²	106	80%	0.804	58%	0.58	S	S	*	*	S	Bend	trans	-102	93.4	168.1	-90.6	-177	172.6	-179.9	0	107.4	C21	C21-K23 PolarHBondContact O-N 3.22Å
24	R	38	Very low	36.4	Very low	219 Å²	219	109.2 Å²	109.2	83%	0.826	58%	0.58	S	S	*	*	S	Bend	trans	113.9	7.6	174.7	-63	178.8	176.4	178.6	-0.8	118.2	L26	R24-L26 VanDerWaalsContact C-N 3.28Å; R24-L26 HydrophobicContact CB-CD1 4.28Å; R24-L26 PolarHBondContact O-N 2.89Å
25	G	38	Very low	38.2	Very low	53 Å²	53	102.7 Å²	102.7	55%	0.546	55%	0.547	S	S	.	.	S	Bend	trans	70.4	17.5	169	0	0	0	0	0	115.8
26	L	37	Very low	40.5	Very low	70 Å²	70	95.3 Å²	95.3	37%	0.366	52%	0.518	S	S	.	.			trans	-97.6	130	-175	-65.4	163.7	0	0	0	111	R24 E59	R24-L26 VanDerWaalsContact C-N 3.28Å; R24-L26 HydrophobicContact CB-CD1 4.28Å; R24-L26 PolarHBondContact O-N 2.89Å; L26-E59 HydrophobicContact CD2-CG 3.98Å
27	I	41.1	Very low	42.9	Very low	45 Å²	45	91.2 Å²	91.2	23%	0.231	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.2	174	-49.2	173.5	0	0	0	108.1	I46 I49 M60	I27-I46 HydrophobicContact CD1-CB 4.37Å; I27-I46 HydrophobicContact CD1-CG2 3.55Å; I27-I49 HydrophobicContact CB-CD1 3.96Å; I27-I49 HydrophobicContact CD1-CD1 4.39Å; I27-I49 HydrophobicContact CD1-CG1 4.44Å; I27-I49 HydrophobicContact CG2-CB 3.41Å; I27-I49 VanDerWaalsContact CG2-CB 3.41Å; I27-I49 HydrophobicContact CG2-CD1 3.25Å; I27-I49 HydrophobicContact CG2-CG1 3.47Å; I27-I49 VanDerWaalsContact CG2-CG1 3.47Å; I27-I49 HydrophobicContact CG2-CG2 4.5Å; I27-M60 VanDerWaalsContact O-CB 3.28Å; I27-M60 WeakPolarHBondContact O-CB 3.32Å; I27-M60 PolarHBondContact O-N 2.89Å
28	W	38.6	Very low	45.7	Very low	121 Å²	121	89.4 Å²	89.4	46%	0.458	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.1	-170.2	-41.9	66	0	0	0	113.5	L57 E58	W28-L57 HydrophobicContact CB-CB 3.23Å; W28-L57 HydrophobicContact CB-CD1 4.36Å; W28-L57 HydrophobicContact CB-CD2 3.47Å; W28-L57 VanDerWaalsContact CB-CD2 3.47Å; W28-L57 HydrophobicContact CB-CG 3.76Å; W28-L57 HydrophobicContact CD2-CB 3.93Å; W28-L57 HydrophobicContact CE3-CB 3.89Å; W28-L57 HydrophobicContact CG-CB 3.73Å; W28-L57 HydrophobicContact CG-CD1 4.39Å; W28-L57 HydrophobicContact CG-CD2 4.26Å; W28-L57 HydrophobicContact CG-CG 4.28Å; W28-L57 WeakPolarHBondContact O-CD2 3.5Å; W28-E58 CarbonylContact C-O 3.53Å; W28-E58 WeakPolarHBondContact CA-O 3.33Å
29	I	43.9	Very low	48.4	Very low	11 Å²	11	83.8 Å²	83.8	6%	0.056	42%	0.422	C	S	.	.			trans	-143.1	125.5	172.5	-49.5	176.1	0	0	0	110.6	I37 I39 I49 A56 E58 M60 M98 F100	I29-I37 HydrophobicContact CD1-CG2 4.1Å; I29-I37 HydrophobicContact CG1-CG2 4.48Å; I29-I37 HydrophobicContact CG2-CD1 3.4Å; I29-I37 HydrophobicContact CG2-CG1 3.93Å; I29-I37 HydrophobicContact CG2-CG2 4.24Å; I29-I39 HydrophobicContact CD1-CD1 4.26Å; I29-I49 HydrophobicContact CD1-CD1 3.81Å; I29-I49 HydrophobicContact CD1-CG2 4.11Å; I29-I49 HydrophobicContact CG1-CD1 4.04Å; I29-I49 HydrophobicContact CG1-CG2 3.91Å; I29-A56 CarbonylContact C-O 3.42Å; I29-A56 WeakPolarHBondContact CA-O 3.39Å; I29-E58 VanDerWaalsContact C-N 3.31Å; I29-E58 PolarHBondContact N-O 3.25Å; I29-E58 WeakPolarHBondContact O-CB 3.4Å; I29-E58 PolarHBondContact O-N 3.13Å; I29-M60 HydrophobicContact CD1-CE 4.27Å; I29-M60 HydrophobicContact CD1-SD 3.38Å; I29-M60 WeakPolarHBondContact CD1-SD 3.36Å; I29-M60 HydrophobicContact CG1-SD 3.66Å; I29-M98 HydrophobicContact CD1-CE 4.4Å; I29-F100 HydrophobicContact CB-CE1 4.17Å; I29-F100 HydrophobicContact CG2-CE1 3.59Å; I29-F100 HydrophobicContact CG2-CZ 3.68Å
30	V	41.8	Very low	51.3	Low	50 Å²	50	77.9 Å²	77.9	30%	0.303	40%	0.395	S	S	.	.			trans	-107.5	145	162.2	167.4	0	0	0	0	108.3	A32 A56 L57 E58	V30-A32 PolarHBondContact O-N 3.37Å; V30-A56 VanDerWaalsContact CB-C 3.41Å; V30-A56 HydrophobicContact CB-CB 3.52Å; V30-A56 HydrophobicContact CG1-CB 4.2Å; V30-A56 HydrophobicContact CG2-CB 4.37Å; V30-A56 PolarHBondContact N-O 2.86Å; V30-A56 WeakPolarHBondContact O-CB 3.15Å; V30-L57 VanDerWaalsContact CG2-C 3.41Å; V30-E58 HydrophobicContact CG2-CB 4.13Å
31	S	45.9	Very low	53.9	Low	30 Å²	30	72.4 Å²	72.4	21%	0.21	37%	0.367	C	S	.	.			trans	-62.1	87.7	165	157.7	0	0	0	0	109.8	E105	S31-E105 PolarHBondContact OG-OE2 3.48Å
32	A	46.1	Very low	56.6	Low	24 Å²	24	72.1 Å²	72.1	20%	0.198	36%	0.358	C	S	.	.			trans	-85	114.5	159	0	0	0	0	0	107	V30 K34 A35 A56	V30-A32 PolarHBondContact O-N 3.37Å; A32-K34 PolarHBondContact O-N 3.41Å; A32-A35 HydrophobicContact CB-CB 3.5Å; A32-A35 VanDerWaalsContact CB-CB 3.5Å; A32-A35 PolarHBondContact O-N 3.35Å; A32-A56 HydrophobicContact CB-CB 4.02Å
33	R	55.9	Low	58.8	Low	206 Å²	206	69.2 Å²	69.2	78%	0.777	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-3.9	-175.1	-68.3	-177.4	175.2	-177.7	-1.6	115.2	L129	R33-L129 HydrophobicContact CB-CD2 4.24Å; R33-L129 HydrophobicContact CG-CD2 4.12Å
34	K	60.9	Low	61.1	Low	176 Å²	176	62.3 Å²	62.3	77%	0.765	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	4.3	-179.1	-64.4	-173.8	177.9	-179.3	0	113.6	A32	A32-K34 PolarHBondContact O-N 3.41Å
35	A	64.1	Low	63.3	Low	5 Å²	5	54.6 Å²	54.6	4%	0.041	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-92.5	142.6	-178.4	0	0	0	0	0	111.5	A32 D52 Q53	A32-A35 HydrophobicContact CB-CB 3.5Å; A32-A35 VanDerWaalsContact CB-CB 3.5Å; A32-A35 PolarHBondContact O-N 3.35Å; A35-D52 WeakPolarHBondContact CA-OD1 3.38Å; A35-D52 VanDerWaalsContact CB-OD1 3.27Å; A35-D52 WeakPolarHBondContact CB-OD1 3.45Å; A35-Q53 HydrophobicContact CB-CB 3.89Å; A35-Q53 HydrophobicContact CB-CG 4.01Å
36	T	74	Confident	65.5	Low	42 Å²	42	52.6 Å²	52.6	26%	0.258	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.2	166.9	62.3	0	0	0	0	109	S51 D52 F127 W128	T36-S51 WeakPolarHBondContact O-CA 3.47Å; T36-D52 WeakPolarHBondContact CB-OD2 3.49Å; T36-D52 WeakPolarHBondContact CG2-OD2 3.24Å; T36-D52 PolarHBondContact N-OD1 3.43Å; T36-D52 PolarHBondContact N-OD2 2.87Å; T36-D52 PolarHBondContact O-N 2.96Å; T36-D52 PolarHBondContact OG1-OD2 2.84Å; T36-F127 WeakPolarHBondContact CA-O 3.32Å; T36-W128 VanDerWaalsContact CG2-CD1 3.43Å; T36-W128 HydrophobicContact CG2-CG 4.35Å
37	I	77.9	Confident	67.6	Low	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.2	178.7	-57.6	153.9	0	0	0	107.7	I29 I39 I49 M98 F100 Y107 F126 F127	I29-I37 HydrophobicContact CD1-CG2 4.1Å; I29-I37 HydrophobicContact CG1-CG2 4.48Å; I29-I37 HydrophobicContact CG2-CD1 3.4Å; I29-I37 HydrophobicContact CG2-CG1 3.93Å; I29-I37 HydrophobicContact CG2-CG2 4.24Å; I37-I39 HydrophobicContact CG2-CD1 4.45Å; I37-I39 HydrophobicContact CG2-CG1 4.02Å; I37-I49 HydrophobicContact CG2-CG2 3.83Å; I37-M98 HydrophobicContact CD1-CE 4.28Å; I37-F100 HydrophobicContact CD1-CZ 4.06Å; I37-Y107 HydrophobicContact CD1-CE1 4.12Å; I37-F126 CarbonylContact O-C 3.56Å; I37-F126 WeakPolarHBondContact O-CA 3.26Å; I37-F127 HydrophobicContact CB-CB 4.15Å; I37-F127 PolarHBondContact N-O 3.12Å; I37-F127 VanDerWaalsContact N-O 3.11Å; I37-F127 PolarHBondContact O-N 3.41Å
38	Q	84.1	Confident	69.4	Low	52 Å²	52	54.5 Å²	54.5	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123	174	179.9	-178.2	-8.6	0	0	109.7	I49 S50 L125 F126	Q38-I49 CarbonylContact O-C 3.5Å; Q38-I49 WeakPolarHBondContact O-CA 3.31Å; Q38-S50 PolarHBondContact N-O 3.47Å; Q38-S50 PolarHBondContact O-N 3.08Å; Q38-L125 CarbonylContact C-O 3.57Å; Q38-L125 VanDerWaalsContact CA-O 3.24Å; Q38-L125 WeakPolarHBondContact CA-O 3.42Å; Q38-F126 HydrophobicContact CB-CD1 4.17Å; Q38-F126 HydrophobicContact CB-CE1 4.29Å; Q38-F126 HydrophobicContact CG-CD1 4.09Å; Q38-F126 HydrophobicContact CG-CE1 3.84Å; Q38-F126 HydrophobicContact CG-CZ 4.45Å
39	I	84.7	Confident	71.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	177	-53.5	-173.2	0	0	0	108.6	I29 I37 L41 I46 I49 I65 L125 F127	I29-I39 HydrophobicContact CD1-CD1 4.26Å; I37-I39 HydrophobicContact CG2-CD1 4.45Å; I37-I39 HydrophobicContact CG2-CG1 4.02Å; I39-L41 HydrophobicContact CG2-CD2 3.79Å; I39-L41 HydrophobicContact CG2-CG 4.35Å; I39-I46 HydrophobicContact CG2-CG1 4.27Å; I39-I46 HydrophobicContact CG2-CG2 3.97Å; I39-I49 HydrophobicContact CB-CG1 4.49Å; I39-I49 HydrophobicContact CG1-CG1 4.13Å; I39-I49 HydrophobicContact CG1-CG2 4.22Å; I39-I49 HydrophobicContact CG2-CG1 4.15Å; I39-I65 HydrophobicContact CD1-CD1 4.29Å; I39-I65 HydrophobicContact CG2-CD1 4.4Å; I39-L125 HydrophobicContact CB-CB 4.36Å; I39-L125 PolarHBondContact N-O 2.96Å; I39-L125 PolarHBondContact O-N 3.41Å; I39-F127 HydrophobicContact CB-CE2 4.23Å; I39-F127 HydrophobicContact CD1-CD2 4.14Å; I39-F127 HydrophobicContact CD1-CE2 3.62Å; I39-F127 HydrophobicContact CD1-CZ 4.13Å; I39-F127 HydrophobicContact CG1-CD2 4.16Å; I39-F127 HydrophobicContact CG1-CE2 3.88Å
40	E	84.7	Confident	72.7	Confident	39 Å²	39	50.9 Å²	50.9	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.6	169.4	-54.8	-165.2	172.5	0	0	109.6	A47 K48 K114 Y123	E40-A47 PolarHBondContact O-N 3.49Å; E40-K48 HydrophobicContact CB-CB 4.04Å; E40-K48 HydrophobicContact CG-CB 4.16Å; E40-K48 PolarHBondContact N-O 3.19Å; E40-K48 PolarHBondContact O-N 3.09Å; E40-K114 IonicContact OE1-NZ 3.65Å; E40-K114 PolarHBondContact OE1-NZ 3.44Å; E40-K114 IonicContact OE2-NZ 2.68Å; E40-K114 PolarHBondContact OE2-NZ 3.5Å; E40-Y123 CarbonylContact C-O 3.51Å; E40-Y123 WeakPolarHBondContact CA-O 3.39Å
41	L	85	Confident	74.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.3	178.1	-61.3	-179	0	0	0	110.9	I39 T45 I46 I65 L81 R122 Y123 L125	I39-L41 HydrophobicContact CG2-CD2 3.79Å; I39-L41 HydrophobicContact CG2-CG 4.35Å; L41-T45 CarbonylContact C-O 3.6Å; L41-T45 VanDerWaalsContact CA-O 3.31Å; L41-T45 WeakPolarHBondContact CA-O 3.39Å; L41-I46 HydrophobicContact CD2-CG1 3.95Å; L41-I65 HydrophobicContact CD1-CD1 4.13Å; L41-I65 HydrophobicContact CD1-CG2 4.11Å; L41-I65 HydrophobicContact CD2-CB 3.99Å; L41-I65 HydrophobicContact CD2-CD1 4.06Å; L41-I65 HydrophobicContact CD2-CG2 4.11Å; L41-L81 HydrophobicContact CD1-CD1 4.01Å; L41-L81 HydrophobicContact CD1-CD2 4.37Å; L41-R122 CarbonylContact O-C 3.49Å; L41-R122 VanDerWaalsContact O-CA 3.24Å; L41-R122 WeakPolarHBondContact O-CA 3.27Å; L41-Y123 HydrophobicContact CB-CD2 4.36Å; L41-Y123 PolarHBondContact N-O 3.49Å; L41-Y123 PolarHBondContact O-N 2.74Å; L41-L125 HydrophobicContact CD1-CD1 3.48Å; L41-L125 VanDerWaalsContact CD1-CD1 3.48Å; L41-L125 HydrophobicContact CD1-CG 4.03Å; L41-L125 HydrophobicContact CG-CD1 4.11Å; L41-L125 HydrophobicContact CG-CG 4.41Å
42	L	82.9	Confident	75.4	Confident	87 Å²	87	53.1 Å²	53.1	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97.6	160.6	-174.5	71.5	0	0	0	107.4	S44 T45 A47 R122	L42-S44 PolarHBondContact O-N 2.95Å; L42-S44 VanDerWaalsContact O-N 3.16Å; L42-T45 PolarHBondContact N-O 2.68Å; L42-T45 PolarHBondContact O-N 3.48Å; L42-T45 VanDerWaalsContact O-N 3.08Å; L42-A47 HydrophobicContact CB-CB 4.45Å; L42-R122 HydrophobicContact CD1-CG 3.57Å
43	G	79.1	Confident	76.1	Confident	34 Å²	34	56.2 Å²	56.2	35%	0.351	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-109.8	-166.1	0	0	0	0	0	110.6	G121	G43-G121 PolarHBondContact N-O 3.25Å
44	S	80.3	Confident	75.7	Confident	40 Å²	40	50.4 Å²	50.4	28%	0.28	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-7.5	174.5	60.7	0	0	0	0	113.6	L42 N64 I65 F66	L42-S44 PolarHBondContact O-N 2.95Å; L42-S44 VanDerWaalsContact O-N 3.16Å; S44-N64 PolarHBondContact O-OD1 3Å; S44-I65 PolarHBondContact O-N 3.27Å; S44-F66 VanDerWaalsContact CB-CE2 3.48Å
45	T	83.5	Confident	75.1	Confident	57 Å²	57	51 Å²	51	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132	-177.8	-51.3	0	0	0	0	109.9	L41 L42 A47 E63	L41-T45 CarbonylContact C-O 3.6Å; L41-T45 VanDerWaalsContact CA-O 3.31Å; L41-T45 WeakPolarHBondContact CA-O 3.39Å; L42-T45 PolarHBondContact N-O 2.68Å; L42-T45 PolarHBondContact O-N 3.48Å; L42-T45 VanDerWaalsContact O-N 3.08Å; T45-A47 PolarHBondContact O-N 2.96Å; T45-E63 CarbonylContact C-O 3.56Å; T45-E63 WeakPolarHBondContact CA-O 3.19Å; T45-E63 HydrophobicContact CG2-CB 3.88Å
46	I	83.6	Confident	74.2	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	111.8	175.4	-59.6	169.9	0	0	0	108.2	I27 I39 L41 I49 M60 E63 I65 Y68	I27-I46 HydrophobicContact CD1-CB 4.37Å; I27-I46 HydrophobicContact CD1-CG2 3.55Å; I39-I46 HydrophobicContact CG2-CG1 4.27Å; I39-I46 HydrophobicContact CG2-CG2 3.97Å; L41-I46 HydrophobicContact CD2-CG1 3.95Å; I46-I49 HydrophobicContact CD1-CD1 4.5Å; I46-I49 HydrophobicContact CG2-CD1 3.68Å; I46-I49 HydrophobicContact CG2-CG1 3.55Å; I46-M60 HydrophobicContact CD1-CE 3.52Å; I46-E63 WeakPolarHBondContact CB-O 3.29Å; I46-E63 WeakPolarHBondContact CG1-O 3.25Å; I46-E63 PolarHBondContact N-O 2.88Å; I46-I65 HydrophobicContact CD1-CB 4.31Å; I46-I65 HydrophobicContact CG1-CB 4.06Å; I46-Y68 HydrophobicContact CD1-CD2 4.39Å; I46-Y68 HydrophobicContact CD1-CE2 4.28Å
47	A	80.8	Confident	72.9	Confident	66 Å²	66	53.5 Å²	53.5	55%	0.545	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-37.9	178.4	0	0	0	0	0	112.1	E40 L42 T45	E40-A47 PolarHBondContact O-N 3.49Å; L42-A47 HydrophobicContact CB-CB 4.45Å; T45-A47 PolarHBondContact O-N 2.96Å
48	K	79.5	Confident	71.7	Confident	88 Å²	88	56.6 Å²	56.6	38%	0.383	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	143.7	-178.5	-174	-178.9	177.5	-173.1	0	109.9	I20 E40	I20-K48 HydrophobicContact CD1-CD 4.49Å; I20-K48 HydrophobicContact CD1-CG 4.29Å; E40-K48 HydrophobicContact CB-CB 4.04Å; E40-K48 HydrophobicContact CG-CB 4.16Å; E40-K48 PolarHBondContact N-O 3.19Å; E40-K48 PolarHBondContact O-N 3.09Å
49	I	76.3	Confident	70.2	Confident	18 Å²	18	59.4 Å²	59.4	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.9	166.7	-55.1	170.3	0	0	0	108.3	I27 I29 I37 Q38 I39 I46 M60	I27-I49 HydrophobicContact CB-CD1 3.96Å; I27-I49 HydrophobicContact CD1-CD1 4.39Å; I27-I49 HydrophobicContact CD1-CG1 4.44Å; I27-I49 HydrophobicContact CG2-CB 3.41Å; I27-I49 VanDerWaalsContact CG2-CB 3.41Å; I27-I49 HydrophobicContact CG2-CD1 3.25Å; I27-I49 HydrophobicContact CG2-CG1 3.47Å; I27-I49 VanDerWaalsContact CG2-CG1 3.47Å; I27-I49 HydrophobicContact CG2-CG2 4.5Å; I29-I49 HydrophobicContact CD1-CD1 3.81Å; I29-I49 HydrophobicContact CD1-CG2 4.11Å; I29-I49 HydrophobicContact CG1-CD1 4.04Å; I29-I49 HydrophobicContact CG1-CG2 3.91Å; I37-I49 HydrophobicContact CG2-CG2 3.83Å; Q38-I49 CarbonylContact O-C 3.5Å; Q38-I49 WeakPolarHBondContact O-CA 3.31Å; I39-I49 HydrophobicContact CB-CG1 4.49Å; I39-I49 HydrophobicContact CG1-CG1 4.13Å; I39-I49 HydrophobicContact CG1-CG2 4.22Å; I39-I49 HydrophobicContact CG2-CG1 4.15Å; I46-I49 HydrophobicContact CD1-CD1 4.5Å; I46-I49 HydrophobicContact CG2-CD1 3.68Å; I46-I49 HydrophobicContact CG2-CG1 3.55Å; I49-M60 HydrophobicContact CD1-CE 4.14Å; I49-M60 HydrophobicContact CD1-SD 3.34Å; I49-M60 WeakPolarHBondContact CD1-SD 3.37Å
50	S	75.5	Confident	68.9	Low	38 Å²	38	60 Å²	60	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.8	172.6	46.3	0	0	0	0	109.5	Q38	Q38-S50 PolarHBondContact N-O 3.47Å; Q38-S50 PolarHBondContact O-N 3.08Å
51	S	73.9	Confident	67.8	Low	41 Å²	41	66.1 Å²	66.1	29%	0.287	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.3	175.1	173.2	0	0	0	0	108.1	T36 Q53	T36-S51 WeakPolarHBondContact O-CA 3.47Å; S51-Q53 WeakPolarHBondContact CB-O 3.27Å; S51-Q53 PolarHBondContact O-N 3.32Å; S51-Q53 PolarHBondContact OG-N 3.37Å; S51-Q53 PolarHBondContact OG-O 3.46Å
52	D	71	Confident	66.6	Low	87 Å²	87	69.1 Å²	69.1	47%	0.465	38%	0.383	S	S	.	.	S	Bend	trans	-68.3	-23.8	172.1	59.8	-1.9	0	0	0	112.8	A35 T36	A35-D52 WeakPolarHBondContact CA-OD1 3.38Å; A35-D52 VanDerWaalsContact CB-OD1 3.27Å; A35-D52 WeakPolarHBondContact CB-OD1 3.45Å; T36-D52 WeakPolarHBondContact CB-OD2 3.49Å; T36-D52 WeakPolarHBondContact CG2-OD2 3.24Å; T36-D52 PolarHBondContact N-OD1 3.43Å; T36-D52 PolarHBondContact N-OD2 2.87Å; T36-D52 PolarHBondContact O-N 2.96Å; T36-D52 PolarHBondContact OG1-OD2 2.84Å
53	Q	61.2	Low	66.3	Low	88 Å²	88	71.2 Å²	71.2	41%	0.411	39%	0.39	S	S	.	.	S	Bend	trans	-111.3	120.7	172.8	-55	-161.5	-2.7	0	0	110.4	A35 S51 E55	A35-Q53 HydrophobicContact CB-CB 3.89Å; A35-Q53 HydrophobicContact CB-CG 4.01Å; S51-Q53 WeakPolarHBondContact CB-O 3.27Å; S51-Q53 PolarHBondContact O-N 3.32Å; S51-Q53 PolarHBondContact OG-N 3.37Å; S51-Q53 PolarHBondContact OG-O 3.46Å; Q53-E55 VanDerWaalsContact C-N 3.25Å; Q53-E55 PolarHBondContact O-N 3.32Å
54	C	47	Very low	66.5	Low	85 Å²	85	72.6 Å²	72.6	57%	0.574	39%	0.39	S	S	*	.	S	Bend	trans	-68.2	-15.2	-173.2	-67.5	0	0	0	0	114.9	I18 A56	I18-C54 HydrophobicContact CD1-CB 3.91Å; I18-C54 WeakPolarHBondContact CD1-SG 3.48Å; C54-A56 PolarHBondContact O-N 3.46Å
55	E	47.7	Very low	66.7	Low	187 Å²	187	70.7 Å²	70.7	87%	0.874	38%	0.377	S	S	*	.	S	Bend	trans	-88	28.2	-163.8	-64.8	-168.9	156.3	0	0	114.3	Q53	Q53-E55 VanDerWaalsContact C-N 3.25Å; Q53-E55 PolarHBondContact O-N 3.32Å
56	A	44.6	Very low	66.9	Low	3 Å²	3	70.4 Å²	70.4	3%	0.025	37%	0.37	C	S	.	.			trans	-144.4	77.7	-159.1	0	0	0	0	0	114.5	I29 V30 A32 C54	I29-A56 CarbonylContact C-O 3.42Å; I29-A56 WeakPolarHBondContact CA-O 3.39Å; V30-A56 VanDerWaalsContact CB-C 3.41Å; V30-A56 HydrophobicContact CB-CB 3.52Å; V30-A56 HydrophobicContact CG1-CB 4.2Å; V30-A56 HydrophobicContact CG2-CB 4.37Å; V30-A56 PolarHBondContact N-O 2.86Å; V30-A56 WeakPolarHBondContact O-CB 3.15Å; A32-A56 HydrophobicContact CB-CB 4.02Å; C54-A56 PolarHBondContact O-N 3.46Å
57	L	47.7	Very low	67	Low	98 Å²	98	72.5 Å²	72.5	51%	0.513	39%	0.39	S	S	.	.			trans	-131.1	106.2	-176.5	-62.4	-178.5	0	0	0	112.6	W28 V30	W28-L57 HydrophobicContact CB-CB 3.23Å; W28-L57 HydrophobicContact CB-CD1 4.36Å; W28-L57 HydrophobicContact CB-CD2 3.47Å; W28-L57 VanDerWaalsContact CB-CD2 3.47Å; W28-L57 HydrophobicContact CB-CG 3.76Å; W28-L57 HydrophobicContact CD2-CB 3.93Å; W28-L57 HydrophobicContact CE3-CB 3.89Å; W28-L57 HydrophobicContact CG-CB 3.73Å; W28-L57 HydrophobicContact CG-CD1 4.39Å; W28-L57 HydrophobicContact CG-CD2 4.26Å; W28-L57 HydrophobicContact CG-CG 4.28Å; W28-L57 WeakPolarHBondContact O-CD2 3.5Å; V30-L57 VanDerWaalsContact CG2-C 3.41Å
58	E	51.9	Low	67.2	Low	67 Å²	67	71 Å²	71	31%	0.313	37%	0.37	S	S	.	.			trans	-118.2	141.9	169.1	-165.9	169.5	-162.2	0	0	109.8	W28 I29 V30 M60 K101	W28-E58 CarbonylContact C-O 3.53Å; W28-E58 WeakPolarHBondContact CA-O 3.33Å; I29-E58 VanDerWaalsContact C-N 3.31Å; I29-E58 PolarHBondContact N-O 3.25Å; I29-E58 WeakPolarHBondContact O-CB 3.4Å; I29-E58 PolarHBondContact O-N 3.13Å; V30-E58 HydrophobicContact CG2-CB 4.13Å; E58-M60 PolarHBondContact O-N 3.44Å; E58-K101 VanDerWaalsContact OE1-CE 3.3Å; E58-K101 WeakPolarHBondContact OE1-CE 3.35Å; E58-K101 WeakPolarHBondContact OE1-CG 3Å; E58-K101 WeakPolarHBondContact OE2-CE 3.22Å; E58-K101 WeakPolarHBondContact OE2-CG 3.49Å
59	E	52.8	Low	67.6	Low	111 Å²	111	67 Å²	67	52%	0.519	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	117.7	-166	-162.6	167.9	-166.8	0	0	113.2	L26	L26-E59 HydrophobicContact CD2-CG 3.98Å
60	M	58.7	Low	68.3	Low	15 Å²	15	67.6 Å²	67.6	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.7	168.8	-67.4	-177	75.8	0	0	109.9	I27 I29 I46 I49 E58 Y68	I27-M60 VanDerWaalsContact O-CB 3.28Å; I27-M60 WeakPolarHBondContact O-CB 3.32Å; I27-M60 PolarHBondContact O-N 2.89Å; I29-M60 HydrophobicContact CD1-CE 4.27Å; I29-M60 HydrophobicContact CD1-SD 3.38Å; I29-M60 WeakPolarHBondContact CD1-SD 3.36Å; I29-M60 HydrophobicContact CG1-SD 3.66Å; I46-M60 HydrophobicContact CD1-CE 3.52Å; I49-M60 HydrophobicContact CD1-CE 4.14Å; I49-M60 HydrophobicContact CD1-SD 3.34Å; I49-M60 WeakPolarHBondContact CD1-SD 3.37Å; E58-M60 PolarHBondContact O-N 3.44Å; M60-Y68 VanDerWaalsContact C-OH 3.26Å; M60-Y68 VanDerWaalsContact CA-OH 3.23Å; M60-Y68 WeakPolarHBondContact CA-OH 3.47Å; M60-Y68 HydrophobicContact CB-CE1 4.1Å; M60-Y68 VanDerWaalsContact CB-OH 3.22Å; M60-Y68 WeakPolarHBondContact CB-OH 3.4Å; M60-Y68 HydrophobicContact CE-CD1 3.71Å; M60-Y68 HydrophobicContact CE-CD2 3.27Å; M60-Y68 HydrophobicContact CE-CE1 3.59Å; M60-Y68 HydrophobicContact CE-CE2 3.14Å; M60-Y68 HydrophobicContact CE-CG 3.56Å; M60-Y68 HydrophobicContact CG-CE1 3.82Å
61	E	60.1	Low	69	Low	166 Å²	166	70.2 Å²	70.2	78%	0.776	37%	0.372	S	S	*	.			trans	-81.1	-21.5	-179.8	-60.4	-178.1	163.2	0	0	114.9	Y68	E61-Y68 PolarHBondContact N-OH 3.46Å
62	C	61.1	Low	69.7	Low	64 Å²	64	72.2 Å²	72.2	43%	0.432	38%	0.383	S	S	.	.			trans	-110.6	133.6	-172.3	-71.3	0	0	0	0	111.6	N64 A67 Y68	C62-N64 VanDerWaalsContact C-N 3.26Å; C62-N64 PolarHBondContact O-N 3.47Å; C62-A67 HydrophobicContact CB-CB 3.86Å; C62-Y68 HydrophobicContact CB-CE2 3.89Å; C62-Y68 PolarHBondContact N-OH 3.49Å; C62-Y68 WeakPolarHBondContact O-CE2 3.41Å; C62-Y68 PolarHBondContact O-OH 3.49Å
63	E	76.5	Confident	70.7	Confident	131 Å²	131	68.1 Å²	68.1	61%	0.612	36%	0.361	S	S	*	.	S	Bend	trans	-75.4	-13.4	176.6	-57.7	-174.2	162.7	0	0	113	T45 I46	T45-E63 CarbonylContact C-O 3.56Å; T45-E63 WeakPolarHBondContact CA-O 3.19Å; T45-E63 HydrophobicContact CG2-CB 3.88Å; I46-E63 WeakPolarHBondContact CB-O 3.29Å; I46-E63 WeakPolarHBondContact CG1-O 3.25Å; I46-E63 PolarHBondContact N-O 2.88Å
64	N	83.9	Confident	72.2	Confident	63 Å²	63	65.9 Å²	65.9	34%	0.337	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-96.2	125.7	-177	-167.6	-31.2	0	0	0	111.7	S44 C62 F66 A67	S44-N64 PolarHBondContact O-OD1 3Å; C62-N64 VanDerWaalsContact C-N 3.26Å; C62-N64 PolarHBondContact O-N 3.47Å; N64-F66 PolarHBondContact O-N 3.46Å; N64-F66 WeakPolarHBondContact OD1-CD2 3.24Å; N64-F66 PolarHBondContact OD1-N 3.16Å; N64-A67 WeakPolarHBondContact O-CB 3.26Å; N64-A67 PolarHBondContact O-N 3.44Å
65	I	84.3	Confident	74.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59.4	-31.9	179.7	-168.9	166.4	0	0	0	113.4	I39 L41 S44 I46 A67 Y68 L77 L125 F127	I39-I65 HydrophobicContact CD1-CD1 4.29Å; I39-I65 HydrophobicContact CG2-CD1 4.4Å; L41-I65 HydrophobicContact CD1-CD1 4.13Å; L41-I65 HydrophobicContact CD1-CG2 4.11Å; L41-I65 HydrophobicContact CD2-CB 3.99Å; L41-I65 HydrophobicContact CD2-CD1 4.06Å; L41-I65 HydrophobicContact CD2-CG2 4.11Å; S44-I65 PolarHBondContact O-N 3.27Å; I46-I65 HydrophobicContact CD1-CB 4.31Å; I46-I65 HydrophobicContact CG1-CB 4.06Å; I65-A67 PolarHBondContact O-N 3.24Å; I65-A67 VanDerWaalsContact O-N 3.17Å; I65-Y68 PolarHBondContact O-N 3.47Å; I65-Y68 VanDerWaalsContact O-N 3.09Å; I65-L77 HydrophobicContact CD1-CD2 3.98Å; I65-L77 HydrophobicContact CG1-CD2 4.3Å; I65-L77 HydrophobicContact CG2-CD2 3.98Å; I65-L125 HydrophobicContact CD1-CD1 3.45Å; I65-L125 VanDerWaalsContact CD1-CD1 3.45Å; I65-F127 HydrophobicContact CD1-CZ 4.13Å
66	F	87.5	Confident	76.5	Confident	50 Å²	50	58.7 Å²	58.7	22%	0.219	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-65.4	-20.2	-177.9	-61.1	-58	0	0	0	113.3	S44 N64 Y68 L69 V74 L77 L81	S44-F66 VanDerWaalsContact CB-CE2 3.48Å; N64-F66 PolarHBondContact O-N 3.46Å; N64-F66 WeakPolarHBondContact OD1-CD2 3.24Å; N64-F66 PolarHBondContact OD1-N 3.16Å; F66-Y68 PolarHBondContact O-N 3.2Å; F66-L69 HydrophobicContact CD1-CD1 4.2Å; F66-L69 PolarHBondContact O-N 2.79Å; F66-V74 HydrophobicContact CB-CG1 4.37Å; F66-V74 HydrophobicContact CB-CG2 4.31Å; F66-V74 HydrophobicContact CD1-CB 4.36Å; F66-V74 HydrophobicContact CD1-CG1 3.73Å; F66-V74 HydrophobicContact CD1-CG2 4.31Å; F66-V74 HydrophobicContact CE1-CG1 4.25Å; F66-V74 HydrophobicContact CG-CG1 4.15Å; F66-L77 HydrophobicContact CD1-CD2 4.39Å; F66-L77 HydrophobicContact CE1-CB 4.18Å; F66-L77 HydrophobicContact CE1-CD2 3.98Å; F66-L77 HydrophobicContact CE1-CG 4.16Å; F66-L81 HydrophobicContact CZ-CD1 4.49Å
67	A	85.4	Confident	78.7	Confident	56 Å²	56	58.6 Å²	58.6	46%	0.463	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.3	-22.7	175.4	0	0	0	0	0	113.1	C62 N64 I65	C62-A67 HydrophobicContact CB-CB 3.86Å; N64-A67 WeakPolarHBondContact O-CB 3.26Å; N64-A67 PolarHBondContact O-N 3.44Å; I65-A67 PolarHBondContact O-N 3.24Å; I65-A67 VanDerWaalsContact O-N 3.17Å
68	Y	84.6	Confident	80.7	Confident	34 Å²	34	56.1 Å²	56.1	13%	0.133	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.1	-177	-61.6	-83.2	0	0	0	113.3	I46 M60 E61 C62 I65 F66 M98 R99	I46-Y68 HydrophobicContact CD1-CD2 4.39Å; I46-Y68 HydrophobicContact CD1-CE2 4.28Å; M60-Y68 VanDerWaalsContact C-OH 3.26Å; M60-Y68 VanDerWaalsContact CA-OH 3.23Å; M60-Y68 WeakPolarHBondContact CA-OH 3.47Å; M60-Y68 HydrophobicContact CB-CE1 4.1Å; M60-Y68 VanDerWaalsContact CB-OH 3.22Å; M60-Y68 WeakPolarHBondContact CB-OH 3.4Å; M60-Y68 HydrophobicContact CE-CD1 3.71Å; M60-Y68 HydrophobicContact CE-CD2 3.27Å; M60-Y68 HydrophobicContact CE-CE1 3.59Å; M60-Y68 HydrophobicContact CE-CE2 3.14Å; M60-Y68 HydrophobicContact CE-CG 3.56Å; M60-Y68 HydrophobicContact CG-CE1 3.82Å; E61-Y68 PolarHBondContact N-OH 3.46Å; C62-Y68 HydrophobicContact CB-CE2 3.89Å; C62-Y68 PolarHBondContact N-OH 3.49Å; C62-Y68 WeakPolarHBondContact O-CE2 3.41Å; C62-Y68 PolarHBondContact O-OH 3.49Å; I65-Y68 PolarHBondContact O-N 3.47Å; I65-Y68 VanDerWaalsContact O-N 3.09Å; F66-Y68 PolarHBondContact O-N 3.2Å; Y68-M98 CarbonylContact O-C 3.56Å; Y68-M98 WeakPolarHBondContact O-CA 3.37Å; Y68-R99 WeakPolarHBondContact O-CB 3.44Å; Y68-R99 PolarHBondContact O-N 2.92Å
69	L	89	Confident	82.4	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-84	153.9	179.1	-65.6	-177.6	0	0	0	111.3	F66 V74 L77 L96 R97	F66-L69 HydrophobicContact CD1-CD1 4.2Å; F66-L69 PolarHBondContact O-N 2.79Å; L69-V74 HydrophobicContact CB-CG2 4.08Å; L69-L77 HydrophobicContact CD1-CB 3.88Å; L69-L77 HydrophobicContact CD1-CD2 3.55Å; L69-L77 HydrophobicContact CD1-CG 4.34Å; L69-L96 HydrophobicContact CD1-CD1 4.26Å; L69-L96 HydrophobicContact CD2-CB 4.21Å; L69-L96 HydrophobicContact CD2-CD1 4.16Å; L69-R97 WeakPolarHBondContact CA-O 3.35Å
70	N	89.9	Confident	84.1	Confident	30 Å²	30	52.6 Å²	52.6	16%	0.16	30%	0.296	C	S	.	.			trans	-61.5	134.9	164.4	-172.4	-52.2	0	0	0	108.4	V72 D73 V74 R97 Y104	N70-V72 PolarHBondContact O-N 3.3Å; N70-V72 PolarHBondContact OD1-N 3.01Å; N70-V72 VanDerWaalsContact OD1-N 3.13Å; N70-D73 PolarHBondContact O-N 3.48Å; N70-V74 PolarHBondContact O-N 3.23Å; N70-R97 HydrophobicContact CB-CB 3.72Å; N70-R97 PolarHBondContact N-O 3.45Å; N70-Y104 VanDerWaalsContact CA-CE1 3.43Å; N70-Y104 HydrophobicContact CB-CD1 3.83Å; N70-Y104 HydrophobicContact CB-CE1 3.81Å; N70-Y104 HydrophobicContact CB-CG 4.34Å; N70-Y104 VanDerWaalsContact N-CE1 3.29Å
71	P	90.5	Very high	85.5	Confident	93 Å²	93	52.3 Å²	52.3	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.6	-179.2	-30.1	35.4	0	0	0	114.7	D73	P71-D73 VanDerWaalsContact C-N 3.27Å; P71-D73 PolarHBondContact O-N 3.32Å
72	V	89	Confident	86.7	Confident	84 Å²	84	48.9 Å²	48.9	51%	0.509	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.4	177	-179.7	0	0	0	0	112.4	N70 P75	N70-V72 PolarHBondContact O-N 3.3Å; N70-V72 PolarHBondContact OD1-N 3.01Å; N70-V72 VanDerWaalsContact OD1-N 3.13Å; V72-P75 WeakPolarHBondContact O-CD 3.41Å
73	D	92.2	Very high	87.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-11.8	-173.8	-60.2	-30.3	0	0	0	112.8	N70 P71 V76 L77 L96 R97 Q173	N70-D73 PolarHBondContact O-N 3.48Å; P71-D73 VanDerWaalsContact C-N 3.27Å; P71-D73 PolarHBondContact O-N 3.32Å; D73-V76 WeakPolarHBondContact O-CB 3.19Å; D73-V76 PolarHBondContact O-N 3.46Å; D73-V76 VanDerWaalsContact O-N 3.11Å; D73-L77 PolarHBondContact O-N 3.29Å; D73-L77 VanDerWaalsContact O-N 3.16Å; D73-L96 HydrophobicContact CB-CB 4.36Å; D73-L96 HydrophobicContact CB-CD2 3.88Å; D73-R97 IonicContact OD1-CZ 3.94Å; D73-R97 IonicContact OD1-NE 3.93Å; D73-R97 IonicContact OD1-NH2 2.78Å; D73-R97 PolarHBondContact OD1-NH2 2.76Å; D73-R97 WeakPolarHBondContact OD2-CB 3.37Å; D73-R97 IonicContact OD2-CZ 2.95Å; D73-R97 PolarHBondContact OD2-N 3.37Å; D73-R97 IonicContact OD2-NE 3.25Å; D73-R97 PolarHBondContact OD2-NE 2.75Å; D73-R97 IonicContact OD2-NH2 2.8Å; D73-R97 PolarHBondContact OD2-NH2 3.47Å; D73-Q173 PolarHBondContact OD1-NE2 2.87Å
74	V	92	Very high	88.1	Confident	42 Å²	42	42 Å²	42	26%	0.255	25%	0.246	S	C	.	.	H	α-helix	trans	-56.4	-47	176.7	170.6	0	0	0	0	112.6	F66 L69 N70 V76 L77 S78	F66-V74 HydrophobicContact CB-CG1 4.37Å; F66-V74 HydrophobicContact CB-CG2 4.31Å; F66-V74 HydrophobicContact CD1-CB 4.36Å; F66-V74 HydrophobicContact CD1-CG1 3.73Å; F66-V74 HydrophobicContact CD1-CG2 4.31Å; F66-V74 HydrophobicContact CE1-CG1 4.25Å; F66-V74 HydrophobicContact CG-CG1 4.15Å; L69-V74 HydrophobicContact CB-CG2 4.08Å; N70-V74 PolarHBondContact O-N 3.23Å; V74-V76 PolarHBondContact O-N 3.34Å; V74-L77 PolarHBondContact O-N 3.29Å; V74-S78 WeakPolarHBondContact O-CB 3.29Å; V74-S78 PolarHBondContact O-N 3.08Å
75	P	92.5	Very high	88	Confident	84 Å²	84	42.2 Å²	42.2	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-31.6	176.4	-22.9	34.9	0	0	0	113.3	V72 M79	V72-P75 WeakPolarHBondContact O-CD 3.41Å; P75-M79 WeakPolarHBondContact O-CB 3.33Å; P75-M79 PolarHBondContact O-N 3.04Å
76	V	92	Very high	87.6	Confident	37 Å²	37	49.3 Å²	49.3	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-67.3	-50.7	-179.8	-177.1	0	0	0	0	110.1	D73 V74 M79 L80 C94 L96 Q173	D73-V76 WeakPolarHBondContact O-CB 3.19Å; D73-V76 PolarHBondContact O-N 3.46Å; D73-V76 VanDerWaalsContact O-N 3.11Å; V74-V76 PolarHBondContact O-N 3.34Å; V76-M79 PolarHBondContact O-N 3.37Å; V76-L80 WeakPolarHBondContact O-CB 3.29Å; V76-L80 PolarHBondContact O-N 3.5Å; V76-C94 HydrophobicContact CG1-CB 4.09Å; V76-L96 HydrophobicContact CB-CD2 3.86Å; V76-L96 HydrophobicContact CG1-CD2 3.82Å; V76-Q173 HydrophobicContact CG2-CB 4.32Å; V76-Q173 HydrophobicContact CG2-CG 4.15Å
77	L	90.4	Very high	86.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-41.1	177	-177.9	63.8	0	0	0	111.4	I65 F66 L69 D73 V74 M79 L80 L81 L96 L125	I65-L77 HydrophobicContact CD1-CD2 3.98Å; I65-L77 HydrophobicContact CG1-CD2 4.3Å; I65-L77 HydrophobicContact CG2-CD2 3.98Å; F66-L77 HydrophobicContact CD1-CD2 4.39Å; F66-L77 HydrophobicContact CE1-CB 4.18Å; F66-L77 HydrophobicContact CE1-CD2 3.98Å; F66-L77 HydrophobicContact CE1-CG 4.16Å; L69-L77 HydrophobicContact CD1-CB 3.88Å; L69-L77 HydrophobicContact CD1-CD2 3.55Å; L69-L77 HydrophobicContact CD1-CG 4.34Å; D73-L77 PolarHBondContact O-N 3.29Å; D73-L77 VanDerWaalsContact O-N 3.16Å; V74-L77 PolarHBondContact O-N 3.29Å; L77-M79 PolarHBondContact O-N 3.45Å; L77-L80 HydrophobicContact CD1-CD2 4.25Å; L77-L80 PolarHBondContact O-N 2.83Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 4.16Å; L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.42Å; L77-L96 HydrophobicContact CB-CD1 3.93Å; L77-L96 HydrophobicContact CD1-CD1 4.12Å; L77-L96 HydrophobicContact CD2-CD1 4.48Å; L77-L96 HydrophobicContact CG-CD1 4.38Å; L77-L125 HydrophobicContact CD1-CD1 4.2Å; L77-L125 HydrophobicContact CD1-CD2 4.44Å; L77-L125 HydrophobicContact CD2-CD1 4.41Å
78	S	90	Very high	85.5	Confident	46 Å²	46	53.6 Å²	53.6	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-46.5	178.2	178.7	0	0	0	0	112	V74 L80 L81 N82	V74-S78 WeakPolarHBondContact O-CB 3.29Å; V74-S78 PolarHBondContact O-N 3.08Å; S78-L80 VanDerWaalsContact C-N 3.33Å; S78-L80 PolarHBondContact O-N 3.04Å; S78-L81 PolarHBondContact O-N 3.27Å; S78-N82 PolarHBondContact O-N 3.18Å; S78-N82 PolarHBondContact O-ND2 3.31Å
79	M	88.9	Confident	84.7	Confident	91 Å²	91	53.8 Å²	53.8	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.6	-177.9	174.5	177.4	0	0	111.4	P75 V76 L77 L81 N82 V83 L523	P75-M79 WeakPolarHBondContact O-CB 3.33Å; P75-M79 PolarHBondContact O-N 3.04Å; V76-M79 PolarHBondContact O-N 3.37Å; L77-M79 PolarHBondContact O-N 3.45Å; M79-L81 PolarHBondContact O-N 3.32Å; M79-N82 PolarHBondContact O-N 2.94Å; M79-V83 WeakPolarHBondContact O-CG2 3.14Å; M79-V83 PolarHBondContact O-N 3.49Å; M79-L523 HydrophobicContact CE-CD1 3.77Å; M79-L523 HydrophobicContact SD-CD1 3.6Å
80	L	88.5	Confident	84.1	Confident	14 Å²	14	58 Å²	58	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-44.4	179	177.6	151.4	0	0	0	112.3	V76 L77 S78 N82 V83 L84 L92 C94 A111	V76-L80 WeakPolarHBondContact O-CB 3.29Å; V76-L80 PolarHBondContact O-N 3.5Å; L77-L80 HydrophobicContact CD1-CD2 4.25Å; L77-L80 PolarHBondContact O-N 2.83Å; S78-L80 VanDerWaalsContact C-N 3.33Å; S78-L80 PolarHBondContact O-N 3.04Å; L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.91Å; L80-V83 PolarHBondContact O-N 2.83Å; L80-L84 HydrophobicContact CD2-CD1 3.81Å; L80-L84 HydrophobicContact CD2-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.88Å; L80-L92 HydrophobicContact CD1-CB 3.83Å; L80-L92 HydrophobicContact CG-CB 3.91Å; L80-L92 HydrophobicContact CG-CD1 4.18Å; L80-C94 HydrophobicContact CD1-CB 3.91Å; L80-A111 HydrophobicContact CD1-CB 4.3Å; L80-A111 HydrophobicContact CD2-CB 3.2Å; L80-A111 HydrophobicContact CG-CB 4.29Å
81	L	87.1	Confident	83.7	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-36.3	178.4	-67.2	178.8	0	0	0	111.8	L41 F66 L77 S78 M79 L84 S85 Y123 L125	L41-L81 HydrophobicContact CD1-CD1 4.01Å; L41-L81 HydrophobicContact CD1-CD2 4.37Å; F66-L81 HydrophobicContact CZ-CD1 4.49Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 4.16Å; L77-L81 HydrophobicContact CG-CD1 4.13Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.42Å; S78-L81 PolarHBondContact O-N 3.27Å; M79-L81 PolarHBondContact O-N 3.32Å; L81-L84 PolarHBondContact O-N 3.35Å; L81-S85 PolarHBondContact O-N 3Å; L81-Y123 HydrophobicContact CD2-CD1 3.93Å; L81-Y123 HydrophobicContact CD2-CD2 3.84Å; L81-Y123 HydrophobicContact CD2-CE1 4.34Å; L81-Y123 HydrophobicContact CD2-CE2 4.26Å; L81-Y123 HydrophobicContact CD2-CG 3.66Å; L81-Y123 PolarHBondContact O-OH 3.42Å; L81-L125 HydrophobicContact CD2-CD2 4.29Å
82	N	85.2	Confident	83.6	Confident	94 Å²	94	58.2 Å²	58.2	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-46.7	175	-70.2	-21.4	0	0	0	111.5	S78 M79 L80 L84 S85 E86	S78-N82 PolarHBondContact O-N 3.18Å; S78-N82 PolarHBondContact O-ND2 3.31Å; M79-N82 PolarHBondContact O-N 2.94Å; L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.91Å; N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 PolarHBondContact O-N 2.96Å; N82-S85 WeakPolarHBondContact O-CA 3.19Å; N82-S85 VanDerWaalsContact O-CB 3.26Å; N82-S85 WeakPolarHBondContact O-CB 3.25Å; N82-S85 PolarHBondContact O-N 3.03Å; N82-E86 PolarHBondContact O-N 2.82Å
83	V	84.6	Confident	83.6	Confident	47 Å²	47	56.7 Å²	56.7	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-37	178	178.1	0	0	0	0	111.6	M79 L80 S85 E86 S88 L92	M79-V83 WeakPolarHBondContact O-CG2 3.14Å; M79-V83 PolarHBondContact O-N 3.49Å; L80-V83 PolarHBondContact O-N 2.83Å; V83-S85 VanDerWaalsContact C-N 3.26Å; V83-S85 PolarHBondContact O-N 2.91Å; V83-E86 PolarHBondContact O-N 2.67Å; V83-S88 PolarHBondContact O-OG 3.1Å; V83-L92 HydrophobicContact CB-CD1 3.81Å; V83-L92 HydrophobicContact CG1-CD1 3.66Å
84	L	83.6	Confident	83.5	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-28.2	172.2	-73.9	178.4	0	0	0	112.9	L80 L81 N82 E86 C89 L92 A111 Y123	L80-L84 HydrophobicContact CD2-CD1 3.81Å; L80-L84 HydrophobicContact CD2-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CG 3.4Å; L80-L84 PolarHBondContact O-N 2.88Å; L81-L84 PolarHBondContact O-N 3.35Å; N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 PolarHBondContact O-N 2.96Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-C89 HydrophobicContact CD2-CB 4.4Å; L84-L92 HydrophobicContact CD2-CB 4.26Å; L84-L92 HydrophobicContact CD2-CD1 4Å; L84-L92 HydrophobicContact CD2-CG 3.81Å; L84-L92 HydrophobicContact CG-CB 4.49Å; L84-L92 HydrophobicContact CG-CD1 3.94Å; L84-L92 HydrophobicContact CG-CG 4.22Å; L84-A111 HydrophobicContact CD1-CB 3.56Å; L84-Y123 HydrophobicContact CB-CD1 4.13Å; L84-Y123 HydrophobicContact CB-CE1 3.75Å; L84-Y123 HydrophobicContact CD1-CD1 4.09Å
85	S	80.3	Confident	83.5	Confident	67 Å²	67	55.6 Å²	55.6	47%	0.469	32%	0.318	S	S	.	.	H	α-helix	trans	-72.7	-25.5	177.9	-165.1	0	0	0	0	113.5	L81 N82 V83 E87 Y123	L81-S85 PolarHBondContact O-N 3Å; N82-S85 WeakPolarHBondContact O-CA 3.19Å; N82-S85 VanDerWaalsContact O-CB 3.26Å; N82-S85 WeakPolarHBondContact O-CB 3.25Å; N82-S85 PolarHBondContact O-N 3.03Å; V83-S85 VanDerWaalsContact C-N 3.26Å; V83-S85 PolarHBondContact O-N 2.91Å; S85-E87 PolarHBondContact O-N 2.85Å; S85-Y123 WeakPolarHBondContact CB-OH 3.09Å
86	E	76.2	Confident	83.5	Confident	149 Å²	149	51.6 Å²	51.6	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	16.5	-176	-68.6	-177.7	176.3	0	0	113.1	N82 V83 L84 S88	N82-E86 PolarHBondContact O-N 2.82Å; V83-E86 PolarHBondContact O-N 2.67Å; L84-E86 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 3.02Å
87	E	64.5	Low	83.4	Confident	156 Å²	156	51.2 Å²	51.2	73%	0.729	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	6	179.3	-64.5	-178.3	-173.1	0	0	115.3	S85 C89 R120	S85-E87 PolarHBondContact O-N 2.85Å; E87-C89 PolarHBondContact O-N 2.74Å; E87-R120 IonicContact OE1-NH2 3.86Å
88	S	65	Low	83.2	Confident	41 Å²	41	51.4 Å²	51.4	29%	0.287	29%	0.288	S	S	.	.	S	Bend	trans	-77.3	-16	-175.8	30.3	0	0	0	0	114.8	V83 E86	V83-S88 PolarHBondContact O-OG 3.1Å; E86-S88 PolarHBondContact O-N 3.02Å
89	C	68.1	Low	82.8	Confident	38 Å²	38	54.2 Å²	54.2	26%	0.257	29%	0.291	S	S	.	.			trans	-147.9	137.3	-175.4	-79.2	0	0	0	0	111.8	L84 E87 L92	L84-C89 HydrophobicContact CD2-CB 4.4Å; E87-C89 PolarHBondContact O-N 2.74Å; C89-L92 HydrophobicContact CB-CD2 4.01Å; C89-L92 HydrophobicContact CB-CG 4.13Å
90	S	74.8	Confident	81.9	Confident	93 Å²	93	50.5 Å²	50.5	65%	0.65	27%	0.272	S	S	*	.	S	Bend	trans	-79.1	-32.2	176.1	57.4	0	0	0	0	112.7	R112	S90-R112 WeakPolarHBondContact O-CG 3.38Å
91	M	83.2	Confident	81	Confident	99 Å²	99	56.2 Å²	56.2	49%	0.488	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	139.2	-178.8	-173.2	166.6	68.2	0	0	110.7	A110 A111	M91-A110 HydrophobicContact SD-CB 4.42Å; M91-A111 CarbonylContact C-O 3.59Å; M91-A111 VanDerWaalsContact CA-O 3.25Å; M91-A111 WeakPolarHBondContact CA-O 3.47Å
92	L	88	Confident	80.4	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.141	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.9	173.8	-68	179	0	0	0	109.8	L80 V83 L84 C89 A110 A111	L80-L92 HydrophobicContact CD1-CB 3.83Å; L80-L92 HydrophobicContact CG-CB 3.91Å; L80-L92 HydrophobicContact CG-CD1 4.18Å; V83-L92 HydrophobicContact CB-CD1 3.81Å; V83-L92 HydrophobicContact CG1-CD1 3.66Å; L84-L92 HydrophobicContact CD2-CB 4.26Å; L84-L92 HydrophobicContact CD2-CD1 4Å; L84-L92 HydrophobicContact CD2-CG 3.81Å; L84-L92 HydrophobicContact CG-CB 4.49Å; L84-L92 HydrophobicContact CG-CD1 3.94Å; L84-L92 HydrophobicContact CG-CG 4.22Å; C89-L92 HydrophobicContact CB-CD2 4.01Å; C89-L92 HydrophobicContact CB-CG 4.13Å; L92-A110 CarbonylContact O-C 3.59Å; L92-A110 WeakPolarHBondContact O-CA 3.33Å; L92-A111 PolarHBondContact N-O 3Å; L92-A111 PolarHBondContact O-N 3.34Å
93	S	88.6	Confident	80.1	Confident	52 Å²	52	62.3 Å²	62.3	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	175.1	66.3	0	0	0	0	111.9	V109	S93-V109 CarbonylContact C-O 3.58Å; S93-V109 WeakPolarHBondContact CA-O 3.38Å
94	C	90.6	Very high	80.2	Confident	16 Å²	16	63.7 Å²	63.7	11%	0.108	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	177.7	172.6	66	0	0	0	0	109.5	V76 L80 V109	V76-C94 HydrophobicContact CG1-CB 4.09Å; L80-C94 HydrophobicContact CD1-CB 3.91Å; C94-V109 PolarHBondContact N-O 3.02Å; C94-V109 PolarHBondContact O-N 2.93Å
95	S	91.8	Very high	80.3	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.8	170.4	-54.1	0	0	0	0	108.7	Y107 Q173	S95-Y107 CarbonylContact C-O 3.53Å; S95-Y107 WeakPolarHBondContact CA-O 3.46Å; S95-Q173 PolarHBondContact O-NE2 3.18Å; S95-Q173 PolarHBondContact O-OE1 2.84Å
96	L	92.3	Very high	80.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.9	-172.9	-53.7	174.3	0	0	0	109.8	L69 D73 V76 L77 Y107 V109	L69-L96 HydrophobicContact CD1-CD1 4.26Å; L69-L96 HydrophobicContact CD2-CB 4.21Å; L69-L96 HydrophobicContact CD2-CD1 4.16Å; D73-L96 HydrophobicContact CB-CB 4.36Å; D73-L96 HydrophobicContact CB-CD2 3.88Å; V76-L96 HydrophobicContact CB-CD2 3.86Å; V76-L96 HydrophobicContact CG1-CD2 3.82Å; L77-L96 HydrophobicContact CB-CD1 3.93Å; L77-L96 HydrophobicContact CD1-CD1 4.12Å; L77-L96 HydrophobicContact CD2-CD1 4.48Å; L77-L96 HydrophobicContact CG-CD1 4.38Å; L96-Y107 PolarHBondContact N-O 3.46Å; L96-Y107 PolarHBondContact O-N 2.97Å; L96-V109 HydrophobicContact CB-CG2 4.26Å; L96-V109 HydrophobicContact CD1-CB 4.39Å; L96-V109 HydrophobicContact CD1-CG2 3.93Å; L96-V109 HydrophobicContact CG-CG2 4.08Å
97	R	90.1	Very high	81.4	Confident	30 Å²	30	55.3 Å²	55.3	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.8	166.8	-75.6	158	-64.9	-147.5	-4.2	110.4	L69 N70 D73 Y104 E105 L171 D174	L69-R97 WeakPolarHBondContact CA-O 3.35Å; N70-R97 HydrophobicContact CB-CB 3.72Å; N70-R97 PolarHBondContact N-O 3.45Å; D73-R97 IonicContact OD1-CZ 3.94Å; D73-R97 IonicContact OD1-NE 3.93Å; D73-R97 IonicContact OD1-NH2 2.78Å; D73-R97 PolarHBondContact OD1-NH2 2.76Å; D73-R97 WeakPolarHBondContact OD2-CB 3.37Å; D73-R97 IonicContact OD2-CZ 2.95Å; D73-R97 PolarHBondContact OD2-N 3.37Å; D73-R97 IonicContact OD2-NE 3.25Å; D73-R97 PolarHBondContact OD2-NE 2.75Å; D73-R97 IonicContact OD2-NH2 2.8Å; D73-R97 PolarHBondContact OD2-NH2 3.47Å; R97-Y104 HydrophobicContact CB-CD1 4.13Å; R97-Y104 HydrophobicContact CB-CG 4.42Å; R97-E105 CarbonylContact C-O 3.5Å; R97-E105 VanDerWaalsContact CA-O 3.31Å; R97-E105 WeakPolarHBondContact CA-O 3.26Å; R97-L171 HydrophobicContact CG-CD1 3.7Å; R97-D174 IonicContact CZ-OD1 3.22Å; R97-D174 IonicContact CZ-OD2 3.16Å; R97-D174 IonicContact NH1-OD1 3.05Å; R97-D174 PolarHBondContact NH1-OD1 2.64Å; R97-D174 VanDerWaalsContact NH1-OD1 3.12Å; R97-D174 IonicContact NH1-OD2 3.79Å; R97-D174 PolarHBondContact NH1-OD2 3.36Å; R97-D174 IonicContact NH2-OD1 3.48Å; R97-D174 PolarHBondContact NH2-OD1 3.05Å; R97-D174 IonicContact NH2-OD2 2.73Å
98	M	86	Confident	82.7	Confident	4 Å²	4	52 Å²	52	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.3	174.4	-162.1	162.3	71.3	0	0	109.8	I29 I37 Y68 F100 Y104 E105 Y107 F127	I29-M98 HydrophobicContact CD1-CE 4.4Å; I37-M98 HydrophobicContact CD1-CE 4.28Å; Y68-M98 CarbonylContact O-C 3.56Å; Y68-M98 WeakPolarHBondContact O-CA 3.37Å; M98-F100 HydrophobicContact CB-CE2 4.22Å; M98-F100 HydrophobicContact CE-CE2 3.35Å; M98-F100 HydrophobicContact CE-CZ 3.44Å; M98-F100 VanDerWaalsContact CE-CZ 3.44Å; M98-F100 HydrophobicContact CG-CE2 4.28Å; M98-Y104 WeakPolarHBondContact O-CA 3.46Å; M98-E105 PolarHBondContact N-O 3.5Å; M98-E105 PolarHBondContact O-N 3.29Å; M98-Y107 HydrophobicContact CB-CD2 3.91Å; M98-Y107 HydrophobicContact CB-CE2 4.14Å; M98-Y107 HydrophobicContact CE-CE2 4.34Å; M98-F127 HydrophobicContact CE-CD1 4.31Å; M98-F127 HydrophobicContact SD-CD1 4.18Å; M98-F127 HydrophobicContact SD-CE1 3.89Å; M98-F127 HydrophobicContact SD-CZ 4.39Å
99	R	81.9	Confident	83.8	Confident	104 Å²	104	50.1 Å²	50.1	39%	0.392	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.3	-179.8	-172.5	-179.8	167.8	92.3	5.1	109.6	Y68 K101 D102 Y104	Y68-R99 WeakPolarHBondContact O-CB 3.44Å; Y68-R99 PolarHBondContact O-N 2.92Å; R99-K101 PolarHBondContact NE-O 3.47Å; R99-K101 PolarHBondContact NH2-O 3.31Å; R99-D102 IonicContact NH2-OD1 2.8Å; R99-Y104 HydrophobicContact CB-CD1 3.96Å; R99-Y104 HydrophobicContact CB-CE1 3.59Å; R99-Y104 HydrophobicContact CG-CE1 4.33Å
100	F	70.7	Confident	84.9	Confident	13 Å²	13	48.8 Å²	48.8	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.1	167.3	-80	-86.9	0	0	0	108.2	I29 I37 M98 D102 H103 E105 Y107	I29-F100 HydrophobicContact CB-CE1 4.17Å; I29-F100 HydrophobicContact CG2-CE1 3.59Å; I29-F100 HydrophobicContact CG2-CZ 3.68Å; I37-F100 HydrophobicContact CD1-CZ 4.06Å; M98-F100 HydrophobicContact CB-CE2 4.22Å; M98-F100 HydrophobicContact CE-CE2 3.35Å; M98-F100 HydrophobicContact CE-CZ 3.44Å; M98-F100 VanDerWaalsContact CE-CZ 3.44Å; M98-F100 HydrophobicContact CG-CE2 4.28Å; F100-D102 PolarHBondContact O-N 2.78Å; F100-H103 PolarHBondContact N-O 3.38Å; F100-H103 PolarHBondContact O-N 3.36Å; F100-H103 VanDerWaalsContact O-N 3.13Å; F100-H103 PolarHBondContact O-ND1 3.25Å; F100-E105 HydrophobicContact CD2-CB 4.46Å; F100-Y107 AromaticContact CD2-CE2 3.95Å; F100-Y107 HydrophobicContact CD2-CE2 3.95Å; F100-Y107 HydrophobicContact CE2-CD2 4.49Å; F100-Y107 AromaticContact CE2-CE2 3.37Å; F100-Y107 HydrophobicContact CE2-CE2 3.37Å; F100-Y107 AromaticContact CE2-CZ 3.43Å; F100-Y107 VanDerWaalsContact CE2-CZ 3.43Å; F100-Y107 WeakPolarHBondContact CE2-OH 3.3Å; F100-Y107 HydrophobicContact CZ-CE2 4.33Å; F100-Y107 AromaticContact CZ-CZ 3.97Å; F100-Y107 VanDerWaalsContact CZ-OH 3.29Å; F100-Y107 WeakPolarHBondContact CZ-OH 3.46Å
101	K	68.7	Low	85.6	Confident	135 Å²	135	44.3 Å²	44.3	59%	0.587	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	-107.2	-172.8	-66.1	173.3	179.3	-175.9	0	112	E58 R99	E58-K101 VanDerWaalsContact OE1-CE 3.3Å; E58-K101 WeakPolarHBondContact OE1-CE 3.35Å; E58-K101 WeakPolarHBondContact OE1-CG 3Å; E58-K101 WeakPolarHBondContact OE2-CE 3.22Å; E58-K101 WeakPolarHBondContact OE2-CG 3.49Å; R99-K101 PolarHBondContact NE-O 3.47Å; R99-K101 PolarHBondContact NH2-O 3.31Å
102	D	75	Confident	85.8	Confident	140 Å²	140	46.4 Å²	46.4	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.8	-173.3	-65.2	-38.9	0	0	0	113.1	R99 F100	R99-D102 IonicContact NH2-OD1 2.8Å; F100-D102 PolarHBondContact O-N 2.78Å
103	H	78.2	Confident	85.5	Confident	90 Å²	90	45.9 Å²	45.9	42%	0.417	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.6	-178.4	64.5	-81.7	0	0	0	112.3	F100 E105	F100-H103 PolarHBondContact N-O 3.38Å; F100-H103 PolarHBondContact O-N 3.36Å; F100-H103 VanDerWaalsContact O-N 3.13Å; F100-H103 PolarHBondContact O-ND1 3.25Å; H103-E105 VanDerWaalsContact CD2-CG 3.48Å; H103-E105 WeakPolarHBondContact CD2-CG 3.42Å; H103-E105 IonicContact CD2-OE1 2.63Å; H103-E105 IonicContact CE1-OE1 2.72Å; H103-E105 WeakPolarHBondContact NE2-CG 3.5Å; H103-E105 IonicContact NE2-OE1 2.87Å; H103-E105 PolarHBondContact NE2-OE1 2.81Å
104	Y	85.8	Confident	84.9	Confident	76 Å²	76	47 Å²	47	30%	0.298	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128	177.2	-79.2	-78.8	0	0	0	109.4	N70 R97 M98 R99	N70-Y104 VanDerWaalsContact CA-CE1 3.43Å; N70-Y104 HydrophobicContact CB-CD1 3.83Å; N70-Y104 HydrophobicContact CB-CE1 3.81Å; N70-Y104 HydrophobicContact CB-CG 4.34Å; N70-Y104 VanDerWaalsContact N-CE1 3.29Å; R97-Y104 HydrophobicContact CB-CD1 4.13Å; R97-Y104 HydrophobicContact CB-CG 4.42Å; M98-Y104 WeakPolarHBondContact O-CA 3.46Å; R99-Y104 HydrophobicContact CB-CD1 3.96Å; R99-Y104 HydrophobicContact CB-CE1 3.59Å; R99-Y104 HydrophobicContact CG-CE1 4.33Å
105	E	86.5	Confident	83.6	Confident	34 Å²	34	53.3 Å²	53.3	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142	176.5	-66.3	-170.5	169.7	0	0	110.7	S31 R97 M98 F100 H103 Y107 L129	S31-E105 PolarHBondContact OG-OE2 3.48Å; R97-E105 CarbonylContact C-O 3.5Å; R97-E105 VanDerWaalsContact CA-O 3.31Å; R97-E105 WeakPolarHBondContact CA-O 3.26Å; M98-E105 PolarHBondContact N-O 3.5Å; M98-E105 PolarHBondContact O-N 3.29Å; F100-E105 HydrophobicContact CD2-CB 4.46Å; H103-E105 VanDerWaalsContact CD2-CG 3.48Å; H103-E105 WeakPolarHBondContact CD2-CG 3.42Å; H103-E105 IonicContact CD2-OE1 2.63Å; H103-E105 IonicContact CE1-OE1 2.72Å; H103-E105 WeakPolarHBondContact NE2-CG 3.5Å; H103-E105 IonicContact NE2-OE1 2.87Å; H103-E105 PolarHBondContact NE2-OE1 2.81Å; E105-Y107 HydrophobicContact CB-CE2 3.85Å; E105-Y107 WeakPolarHBondContact O-CD2 3.29Å; E105-L129 HydrophobicContact CB-CD1 3.9Å; E105-L129 WeakPolarHBondContact OE2-CD1 3.23Å
106	P	91	Very high	82	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.1	-179.4	32.5	-34.2	0	0	0	111.6	I130 T165 L171 F258	P106-I130 HydrophobicContact CB-CB 4.2Å; P106-I130 HydrophobicContact CB-CD1 4.38Å; P106-I130 HydrophobicContact CG-CB 4.1Å; P106-I130 WeakPolarHBondContact O-CB 3.43Å; P106-I130 PolarHBondContact O-N 2.69Å; P106-T165 HydrophobicContact CB-CG2 4.4Å; P106-L171 HydrophobicContact CB-CD2 4.4Å; P106-F258 HydrophobicContact CB-CD1 4.43Å; P106-F258 HydrophobicContact CB-CE1 4.48Å; P106-F258 HydrophobicContact CG-CB 4.39Å; P106-F258 HydrophobicContact CG-CD1 3.54Å; P106-F258 HydrophobicContact CG-CD2 3.98Å; P106-F258 HydrophobicContact CG-CE1 3.64Å; P106-F258 HydrophobicContact CG-CE2 4.07Å; P106-F258 HydrophobicContact CG-CG 3.71Å; P106-F258 HydrophobicContact CG-CZ 3.91Å
107	Y	89.5	Confident	80.2	Confident	2 Å²	2	63 Å²	63	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.8	176.2	-74.1	-95.4	0	0	0	110.7	I37 S95 L96 M98 F100 E105 F127 W128 L129	I37-Y107 HydrophobicContact CD1-CE1 4.12Å; S95-Y107 CarbonylContact C-O 3.53Å; S95-Y107 WeakPolarHBondContact CA-O 3.46Å; L96-Y107 PolarHBondContact N-O 3.46Å; L96-Y107 PolarHBondContact O-N 2.97Å; M98-Y107 HydrophobicContact CB-CD2 3.91Å; M98-Y107 HydrophobicContact CB-CE2 4.14Å; M98-Y107 HydrophobicContact CE-CE2 4.34Å; F100-Y107 AromaticContact CD2-CE2 3.95Å; F100-Y107 HydrophobicContact CD2-CE2 3.95Å; F100-Y107 HydrophobicContact CE2-CD2 4.49Å; F100-Y107 AromaticContact CE2-CE2 3.37Å; F100-Y107 HydrophobicContact CE2-CE2 3.37Å; F100-Y107 AromaticContact CE2-CZ 3.43Å; F100-Y107 VanDerWaalsContact CE2-CZ 3.43Å; F100-Y107 WeakPolarHBondContact CE2-OH 3.3Å; F100-Y107 HydrophobicContact CZ-CE2 4.33Å; F100-Y107 AromaticContact CZ-CZ 3.97Å; F100-Y107 VanDerWaalsContact CZ-OH 3.29Å; F100-Y107 WeakPolarHBondContact CZ-OH 3.46Å; E105-Y107 HydrophobicContact CB-CE2 3.85Å; E105-Y107 WeakPolarHBondContact O-CD2 3.29Å; Y107-F127 HydrophobicContact CD1-CB 3.8Å; Y107-F127 HydrophobicContact CD1-CD1 4.34Å; Y107-F127 HydrophobicContact CE1-CB 4.48Å; Y107-F127 HydrophobicContact CG-CB 4.39Å; Y107-F127 HydrophobicContact CG-CD1 4.12Å; Y107-W128 CarbonylContact C-O 3.59Å; Y107-W128 VanDerWaalsContact CA-O 3.27Å; Y107-W128 WeakPolarHBondContact CA-O 3.43Å; Y107-W128 VanDerWaalsContact CD1-C 3.46Å; Y107-L129 HydrophobicContact CD1-CB 4.25Å; Y107-L129 HydrophobicContact CD2-CD1 4.48Å; Y107-L129 HydrophobicContact CE1-CB 3.78Å; Y107-L129 HydrophobicContact CE1-CD1 4.09Å; Y107-L129 HydrophobicContact CE2-CD1 3.9Å
108	R	90.2	Very high	78.4	Confident	88 Å²	88	69.8 Å²	69.8	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.4	159.2	-175.5	173.6	-69.1	-167.2	4.8	107	F127 W128 I130	R108-F127 WeakPolarHBondContact O-CA 3.42Å; R108-W128 HydrophobicContact CB-CB 4.47Å; R108-W128 PolarHBondContact N-O 2.93Å; R108-W128 PolarHBondContact O-N 2.79Å; R108-I130 HydrophobicContact CB-CD1 4.26Å; R108-I130 HydrophobicContact CB-CG1 4.22Å
109	V	90.1	Very high	77.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.6	-176.2	-173.1	0	0	0	0	109.1	S93 C94 L96 L125 F126 F127	S93-V109 CarbonylContact C-O 3.58Å; S93-V109 WeakPolarHBondContact CA-O 3.38Å; C94-V109 PolarHBondContact N-O 3.02Å; C94-V109 PolarHBondContact O-N 2.93Å; L96-V109 HydrophobicContact CB-CG2 4.26Å; L96-V109 HydrophobicContact CD1-CB 4.39Å; L96-V109 HydrophobicContact CD1-CG2 3.93Å; L96-V109 HydrophobicContact CG-CG2 4.08Å; V109-L125 HydrophobicContact CG1-CB 4.33Å; V109-L125 HydrophobicContact CG1-CD2 4.45Å; V109-F126 CarbonylContact C-O 3.56Å; V109-F126 VanDerWaalsContact CA-O 3.24Å; V109-F126 WeakPolarHBondContact CA-O 3.47Å; V109-F127 HydrophobicContact CB-CD1 4.47Å; V109-F127 HydrophobicContact CB-CE1 4.39Å; V109-F127 HydrophobicContact CG1-CD1 4.39Å; V109-F127 HydrophobicContact CG1-CD2 4.4Å; V109-F127 HydrophobicContact CG1-CE1 4.08Å; V109-F127 HydrophobicContact CG1-CE2 4.11Å; V109-F127 HydrophobicContact CG1-CZ 3.91Å; V109-F127 HydrophobicContact CG2-CD1 3.42Å; V109-F127 VanDerWaalsContact CG2-CD1 3.42Å; V109-F127 HydrophobicContact CG2-CE1 3.39Å; V109-F127 HydrophobicContact CG2-CG 4.13Å; V109-F127 HydrophobicContact CG2-CZ 4.1Å
110	A	90	Very high	76.3	Confident	10 Å²	10	76.7 Å²	76.7	8%	0.083	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	168.1	0	0	0	0	0	108.9	M91 L92 L125 F126 W128	M91-A110 HydrophobicContact SD-CB 4.42Å; L92-A110 CarbonylContact O-C 3.59Å; L92-A110 WeakPolarHBondContact O-CA 3.33Å; A110-L125 CarbonylContact O-C 3.52Å; A110-L125 WeakPolarHBondContact O-CA 3.34Å; A110-F126 PolarHBondContact N-O 3.12Å; A110-F126 PolarHBondContact O-N 3.36Å; A110-W128 HydrophobicContact CB-CH2 3.78Å; A110-W128 HydrophobicContact CB-CZ3 3.49Å; A110-W128 VanDerWaalsContact CB-CZ3 3.49Å
111	A	89.1	Confident	76.4	Confident	0 Å²	0	77 Å²	77	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.1	-172.7	0	0	0	0	0	109.8	L80 L84 M91 L92 S124 L125	L80-A111 HydrophobicContact CD1-CB 4.3Å; L80-A111 HydrophobicContact CD2-CB 3.2Å; L80-A111 HydrophobicContact CG-CB 4.29Å; L84-A111 HydrophobicContact CD1-CB 3.56Å; M91-A111 CarbonylContact C-O 3.59Å; M91-A111 VanDerWaalsContact CA-O 3.25Å; M91-A111 WeakPolarHBondContact CA-O 3.47Å; L92-A111 PolarHBondContact N-O 3Å; L92-A111 PolarHBondContact O-N 3.34Å; A111-S124 CarbonylContact C-O 3.56Å; A111-S124 WeakPolarHBondContact CA-O 3.41Å; A111-L125 HydrophobicContact CB-CD2 3.26Å
112	R	87.1	Confident	77.1	Confident	142 Å²	142	75.5 Å²	75.5	54%	0.536	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	-177.8	-179.3	175.4	-175.7	-170.7	1.2	109.9	S90 Y123 S124	S90-R112 WeakPolarHBondContact O-CG 3.38Å; R112-Y123 CarbonylContact O-C 3.55Å; R112-Y123 WeakPolarHBondContact O-CA 3.24Å; R112-S124 PolarHBondContact N-O 2.82Å; R112-S124 PolarHBondContact O-N 3.46Å
113	A	82.8	Confident	77.6	Confident	16 Å²	16	69.6 Å²	69.6	13%	0.132	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.4	169.6	0	0	0	0	0	109.9	N115 Y123	A113-N115 PolarHBondContact O-N 3.25Å; A113-Y123 HydrophobicContact CB-CD1 4.48Å
114	K	76.4	Confident	78	Confident	76 Å²	76	65.6 Å²	65.6	33%	0.33	30%	0.303	S	S	.	.			trans	-84.7	107.4	169.8	-74.7	-169.5	178	-171.6	0	108.2	E40 H116 R122 S124	E40-K114 IonicContact OE1-NZ 3.65Å; E40-K114 PolarHBondContact OE1-NZ 3.44Å; E40-K114 IonicContact OE2-NZ 2.68Å; E40-K114 PolarHBondContact OE2-NZ 3.5Å; K114-H116 PolarHBondContact O-N 3.02Å; K114-R122 HydrophobicContact CB-CB 4.12Å; K114-R122 PolarHBondContact N-O 3.46Å; K114-S124 WeakPolarHBondContact CE-OG 3.06Å
115	N	61.7	Low	78.2	Confident	148 Å²	148	62 Å²	62	79%	0.791	29%	0.288	S	S	*	.			trans	-76	59.4	179.8	-66	-11.3	0	0	0	111.8	A113	A113-N115 PolarHBondContact O-N 3.25Å
116	H	58.8	Low	78.2	Confident	98 Å²	98	63.1 Å²	63.1	45%	0.454	29%	0.293	S	S	.	.			trans	-89.6	125.6	169.4	-166.6	-100.9	0	0	0	108.5	K114 F118 D119	K114-H116 PolarHBondContact O-N 3.02Å; H116-F118 AromaticContact CE1-CD2 3.7Å; H116-F118 PolarHBondContact O-N 3.47Å; H116-D119 HydrophobicContact CB-CB 4.14Å; H116-D119 IonicContact CE1-OD2 2.77Å; H116-D119 IonicContact CG-OD2 3.65Å; H116-D119 IonicContact ND1-OD2 3.81Å; H116-D119 PolarHBondContact ND1-OD2 3.43Å; H116-D119 VanDerWaalsContact ND1-OD2 3.16Å; H116-D119 PolarHBondContact O-N 2.9Å
117	P	54.4	Low	78	Confident	108 Å²	108	62.8 Å²	62.8	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.4	-173	19.2	-30.3	0	0	0	114
118	F	51.9	Low	77.9	Confident	173 Å²	173	68 Å²	68	76%	0.759	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-5.4	-179.3	-58.5	-76.8	0	0	0	114.2	H116	H116-F118 AromaticContact CE1-CD2 3.7Å; H116-F118 PolarHBondContact O-N 3.47Å
119	D	59.7	Low	77.7	Confident	35 Å²	35	65.3 Å²	65.3	19%	0.187	30%	0.303	C	S	.	.			trans	-126.2	65.4	-174.3	-67.6	-61.6	0	0	0	112.3	H116 G121 R122	H116-D119 HydrophobicContact CB-CB 4.14Å; H116-D119 IonicContact CE1-OD2 2.77Å; H116-D119 IonicContact CG-OD2 3.65Å; H116-D119 IonicContact ND1-OD2 3.81Å; H116-D119 PolarHBondContact ND1-OD2 3.43Å; H116-D119 VanDerWaalsContact ND1-OD2 3.16Å; H116-D119 PolarHBondContact O-N 2.9Å; D119-G121 PolarHBondContact O-N 3.34Å; D119-R122 HydrophobicContact CB-CB 4.41Å; D119-R122 HydrophobicContact CB-CG 3.87Å; D119-R122 PolarHBondContact O-N 2.81Å; D119-R122 IonicContact OD1-CZ 3.12Å; D119-R122 IonicContact OD1-NE 3.73Å; D119-R122 PolarHBondContact OD1-NE 3.08Å; D119-R122 IonicContact OD1-NH1 3.56Å; D119-R122 IonicContact OD1-NH2 3.46Å; D119-R122 PolarHBondContact OD1-NH2 2.98Å; D119-R122 IonicContact OD2-CZ 3.43Å; D119-R122 IonicContact OD2-NE 3.67Å; D119-R122 PolarHBondContact OD2-NE 3.39Å; D119-R122 IonicContact OD2-NH1 3.77Å; D119-R122 PolarHBondContact OD2-NH1 3.35Å; D119-R122 IonicContact OD2-NH2 2.88Å; D119-R122 PolarHBondContact OD2-NH2 3.38Å; D119-R122 VanDerWaalsContact OD2-NH2 3.15Å
120	R	64.4	Low	77.6	Confident	218 Å²	218	66 Å²	66	82%	0.823	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.4	165.5	-74.1	-174.9	171.1	-169.7	-6.8	109.3	E87	E87-R120 IonicContact OE1-NH2 3.86Å
121	G	72.5	Confident	77.4	Confident	21 Å²	21	69.2 Å²	69.2	22%	0.216	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	10.3	179.7	0	0	0	0	0	115.3	G43 D119 Y123	G43-G121 PolarHBondContact N-O 3.25Å; D119-G121 PolarHBondContact O-N 3.34Å; G121-Y123 VanDerWaalsContact O-CD2 3.31Å; G121-Y123 WeakPolarHBondContact O-CD2 2.77Å; G121-Y123 VanDerWaalsContact O-CE2 3.26Å; G121-Y123 WeakPolarHBondContact O-CE2 3.29Å
122	R	83.4	Confident	77.4	Confident	103 Å²	103	70.3 Å²	70.3	39%	0.389	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.2	168.1	-74.1	-172.1	-168.1	175.6	8.4	111.9	L41 L42 K114 D119	L41-R122 CarbonylContact O-C 3.49Å; L41-R122 VanDerWaalsContact O-CA 3.24Å; L41-R122 WeakPolarHBondContact O-CA 3.27Å; L42-R122 HydrophobicContact CD1-CG 3.57Å; K114-R122 HydrophobicContact CB-CB 4.12Å; K114-R122 PolarHBondContact N-O 3.46Å; D119-R122 HydrophobicContact CB-CB 4.41Å; D119-R122 HydrophobicContact CB-CG 3.87Å; D119-R122 PolarHBondContact O-N 2.81Å; D119-R122 IonicContact OD1-CZ 3.12Å; D119-R122 IonicContact OD1-NE 3.73Å; D119-R122 PolarHBondContact OD1-NE 3.08Å; D119-R122 IonicContact OD1-NH1 3.56Å; D119-R122 IonicContact OD1-NH2 3.46Å; D119-R122 PolarHBondContact OD1-NH2 2.98Å; D119-R122 IonicContact OD2-CZ 3.43Å; D119-R122 IonicContact OD2-NE 3.67Å; D119-R122 PolarHBondContact OD2-NE 3.39Å; D119-R122 IonicContact OD2-NH1 3.77Å; D119-R122 PolarHBondContact OD2-NH1 3.35Å; D119-R122 IonicContact OD2-NH2 2.88Å; D119-R122 PolarHBondContact OD2-NH2 3.38Å; D119-R122 VanDerWaalsContact OD2-NH2 3.15Å
123	Y	86.3	Confident	77.3	Confident	16 Å²	16	65.4 Å²	65.4	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.3	179.2	-50.7	-84.3	0	0	0	110.9	E40 L41 L81 L84 S85 R112 A113 G121	E40-Y123 CarbonylContact C-O 3.51Å; E40-Y123 WeakPolarHBondContact CA-O 3.39Å; L41-Y123 HydrophobicContact CB-CD2 4.36Å; L41-Y123 PolarHBondContact N-O 3.49Å; L41-Y123 PolarHBondContact O-N 2.74Å; L81-Y123 HydrophobicContact CD2-CD1 3.93Å; L81-Y123 HydrophobicContact CD2-CD2 3.84Å; L81-Y123 HydrophobicContact CD2-CE1 4.34Å; L81-Y123 HydrophobicContact CD2-CE2 4.26Å; L81-Y123 HydrophobicContact CD2-CG 3.66Å; L81-Y123 PolarHBondContact O-OH 3.42Å; L84-Y123 HydrophobicContact CB-CD1 4.13Å; L84-Y123 HydrophobicContact CB-CE1 3.75Å; L84-Y123 HydrophobicContact CD1-CD1 4.09Å; S85-Y123 WeakPolarHBondContact CB-OH 3.09Å; R112-Y123 CarbonylContact O-C 3.55Å; R112-Y123 WeakPolarHBondContact O-CA 3.24Å; A113-Y123 HydrophobicContact CB-CD1 4.48Å; G121-Y123 VanDerWaalsContact O-CD2 3.31Å; G121-Y123 WeakPolarHBondContact O-CD2 2.77Å; G121-Y123 VanDerWaalsContact O-CE2 3.26Å; G121-Y123 WeakPolarHBondContact O-CE2 3.29Å
124	S	86.8	Confident	77.4	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	164.7	-76.6	0	0	0	0	109.3	A111 R112 K114	A111-S124 CarbonylContact C-O 3.56Å; A111-S124 WeakPolarHBondContact CA-O 3.41Å; R112-S124 PolarHBondContact N-O 2.82Å; R112-S124 PolarHBondContact O-N 3.46Å; K114-S124 WeakPolarHBondContact CE-OG 3.06Å
125	L	88.8	Confident	77.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.6	173.3	-56.2	-176.1	0	0	0	109.1	Q38 I39 L41 I65 L77 L81 V109 A110 A111 F127	Q38-L125 CarbonylContact C-O 3.57Å; Q38-L125 VanDerWaalsContact CA-O 3.24Å; Q38-L125 WeakPolarHBondContact CA-O 3.42Å; I39-L125 HydrophobicContact CB-CB 4.36Å; I39-L125 PolarHBondContact N-O 2.96Å; I39-L125 PolarHBondContact O-N 3.41Å; L41-L125 HydrophobicContact CD1-CD1 3.48Å; L41-L125 VanDerWaalsContact CD1-CD1 3.48Å; L41-L125 HydrophobicContact CD1-CG 4.03Å; L41-L125 HydrophobicContact CG-CD1 4.11Å; L41-L125 HydrophobicContact CG-CG 4.41Å; I65-L125 HydrophobicContact CD1-CD1 3.45Å; I65-L125 VanDerWaalsContact CD1-CD1 3.45Å; L77-L125 HydrophobicContact CD1-CD1 4.2Å; L77-L125 HydrophobicContact CD1-CD2 4.44Å; L77-L125 HydrophobicContact CD2-CD1 4.41Å; L81-L125 HydrophobicContact CD2-CD2 4.29Å; V109-L125 HydrophobicContact CG1-CB 4.33Å; V109-L125 HydrophobicContact CG1-CD2 4.45Å; A110-L125 CarbonylContact O-C 3.52Å; A110-L125 WeakPolarHBondContact O-CA 3.34Å; A111-L125 HydrophobicContact CB-CD2 3.26Å; L125-F127 HydrophobicContact CB-CD2 4.14Å; L125-F127 HydrophobicContact CB-CE2 3.47Å; L125-F127 VanDerWaalsContact CB-CE2 3.47Å; L125-F127 HydrophobicContact CB-CZ 4.3Å; L125-F127 HydrophobicContact CD1-CE2 3.94Å; L125-F127 HydrophobicContact CD1-CZ 4.04Å; L125-F127 HydrophobicContact CG-CE2 4.38Å
126	F	87.3	Confident	77.5	Confident	58 Å²	58	63.4 Å²	63.4	25%	0.254	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.3	174.3	-59.5	-88.1	0	0	0	108.3	I37 Q38 V109 A110 W128	I37-F126 CarbonylContact O-C 3.56Å; I37-F126 WeakPolarHBondContact O-CA 3.26Å; Q38-F126 HydrophobicContact CB-CD1 4.17Å; Q38-F126 HydrophobicContact CB-CE1 4.29Å; Q38-F126 HydrophobicContact CG-CD1 4.09Å; Q38-F126 HydrophobicContact CG-CE1 3.84Å; Q38-F126 HydrophobicContact CG-CZ 4.45Å; V109-F126 CarbonylContact C-O 3.56Å; V109-F126 VanDerWaalsContact CA-O 3.24Å; V109-F126 WeakPolarHBondContact CA-O 3.47Å; A110-F126 PolarHBondContact N-O 3.12Å; A110-F126 PolarHBondContact O-N 3.36Å; F126-W128 HydrophobicContact CB-CE3 4.36Å; F126-W128 HydrophobicContact CB-CH2 3.26Å; F126-W128 HydrophobicContact CB-CZ2 3.93Å; F126-W128 HydrophobicContact CB-CZ3 3.51Å; F126-W128 HydrophobicContact CG-CH2 4.13Å; F126-W128 WeakPolarHBondContact O-CZ3 3.31Å
127	F	87.1	Confident	77.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.5	-175.8	-70.5	-107	0	0	0	110.1	T36 I37 I39 I65 M98 Y107 R108 V109 L125	T36-F127 WeakPolarHBondContact CA-O 3.32Å; I37-F127 HydrophobicContact CB-CB 4.15Å; I37-F127 PolarHBondContact N-O 3.12Å; I37-F127 VanDerWaalsContact N-O 3.11Å; I37-F127 PolarHBondContact O-N 3.41Å; I39-F127 HydrophobicContact CB-CE2 4.23Å; I39-F127 HydrophobicContact CD1-CD2 4.14Å; I39-F127 HydrophobicContact CD1-CE2 3.62Å; I39-F127 HydrophobicContact CD1-CZ 4.13Å; I39-F127 HydrophobicContact CG1-CD2 4.16Å; I39-F127 HydrophobicContact CG1-CE2 3.88Å; I65-F127 HydrophobicContact CD1-CZ 4.13Å; M98-F127 HydrophobicContact CE-CD1 4.31Å; M98-F127 HydrophobicContact SD-CD1 4.18Å; M98-F127 HydrophobicContact SD-CE1 3.89Å; M98-F127 HydrophobicContact SD-CZ 4.39Å; Y107-F127 HydrophobicContact CD1-CB 3.8Å; Y107-F127 HydrophobicContact CD1-CD1 4.34Å; Y107-F127 HydrophobicContact CE1-CB 4.48Å; Y107-F127 HydrophobicContact CG-CB 4.39Å; Y107-F127 HydrophobicContact CG-CD1 4.12Å; R108-F127 WeakPolarHBondContact O-CA 3.42Å; V109-F127 HydrophobicContact CB-CD1 4.47Å; V109-F127 HydrophobicContact CB-CE1 4.39Å; V109-F127 HydrophobicContact CG1-CD1 4.39Å; V109-F127 HydrophobicContact CG1-CD2 4.4Å; V109-F127 HydrophobicContact CG1-CE1 4.08Å; V109-F127 HydrophobicContact CG1-CE2 4.11Å; V109-F127 HydrophobicContact CG1-CZ 3.91Å; V109-F127 HydrophobicContact CG2-CD1 3.42Å; V109-F127 VanDerWaalsContact CG2-CD1 3.42Å; V109-F127 HydrophobicContact CG2-CE1 3.39Å; V109-F127 HydrophobicContact CG2-CG 4.13Å; V109-F127 HydrophobicContact CG2-CZ 4.1Å; L125-F127 HydrophobicContact CB-CD2 4.14Å; L125-F127 HydrophobicContact CB-CE2 3.47Å; L125-F127 VanDerWaalsContact CB-CE2 3.47Å; L125-F127 HydrophobicContact CB-CZ 4.3Å; L125-F127 HydrophobicContact CD1-CE2 3.94Å; L125-F127 HydrophobicContact CD1-CZ 4.04Å; L125-F127 HydrophobicContact CG-CE2 4.38Å
128	W	86.5	Confident	78	Confident	111 Å²	111	63.1 Å²	63.1	42%	0.42	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124	172.4	-62.7	-96.4	0	0	0	109.8	T36 Y107 R108 A110 F126 I130	T36-W128 VanDerWaalsContact CG2-CD1 3.43Å; T36-W128 HydrophobicContact CG2-CG 4.35Å; Y107-W128 CarbonylContact C-O 3.59Å; Y107-W128 VanDerWaalsContact CA-O 3.27Å; Y107-W128 WeakPolarHBondContact CA-O 3.43Å; Y107-W128 VanDerWaalsContact CD1-C 3.46Å; R108-W128 HydrophobicContact CB-CB 4.47Å; R108-W128 PolarHBondContact N-O 2.93Å; R108-W128 PolarHBondContact O-N 2.79Å; A110-W128 HydrophobicContact CB-CH2 3.78Å; A110-W128 HydrophobicContact CB-CZ3 3.49Å; A110-W128 VanDerWaalsContact CB-CZ3 3.49Å; F126-W128 HydrophobicContact CB-CE3 4.36Å; F126-W128 HydrophobicContact CB-CH2 3.26Å; F126-W128 HydrophobicContact CB-CZ2 3.93Å; F126-W128 HydrophobicContact CB-CZ3 3.51Å; F126-W128 HydrophobicContact CG-CH2 4.13Å; F126-W128 WeakPolarHBondContact O-CZ3 3.31Å; W128-I130 PolarHBondContact O-N 3.09Å
129	L	86.8	Confident	78.1	Confident	33 Å²	33	59.1 Å²	59.1	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	126.9	177.5	-178.9	68.4	0	0	0	110.2	R33 E105 Y107 T131	R33-L129 HydrophobicContact CB-CD2 4.24Å; R33-L129 HydrophobicContact CG-CD2 4.12Å; E105-L129 HydrophobicContact CB-CD1 3.9Å; E105-L129 WeakPolarHBondContact OE2-CD1 3.23Å; Y107-L129 HydrophobicContact CD1-CB 4.25Å; Y107-L129 HydrophobicContact CD2-CD1 4.48Å; Y107-L129 HydrophobicContact CE1-CB 3.78Å; Y107-L129 HydrophobicContact CE1-CD1 4.09Å; Y107-L129 HydrophobicContact CE2-CD1 3.9Å; L129-T131 HydrophobicContact CD2-CG2 4.38Å; L129-T131 HydrophobicContact CG-CG2 4.5Å
130	I	87.2	Confident	77.9	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.067	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-83.6	121.8	173.5	-57.3	176.9	0	0	0	107.7	P106 R108 W128 T165 S166 F258	P106-I130 HydrophobicContact CB-CB 4.2Å; P106-I130 HydrophobicContact CB-CD1 4.38Å; P106-I130 HydrophobicContact CG-CB 4.1Å; P106-I130 WeakPolarHBondContact O-CB 3.43Å; P106-I130 PolarHBondContact O-N 2.69Å; R108-I130 HydrophobicContact CB-CD1 4.26Å; R108-I130 HydrophobicContact CB-CG1 4.22Å; W128-I130 PolarHBondContact O-N 3.09Å; I130-T165 HydrophobicContact CD1-CG2 3.87Å; I130-T165 HydrophobicContact CG2-CG2 4.02Å; I130-S166 WeakPolarHBondContact CG2-OG 3.35Å; I130-F258 HydrophobicContact CG2-CE1 4.38Å; I130-F258 HydrophobicContact CG2-CZ 4.01Å; I130-F258 WeakPolarHBondContact O-CE2 3.42Å
131	T	86.7	Confident	77.3	Confident	79 Å²	79	57.2 Å²	57.2	49%	0.485	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-102.4	154.7	177	55	0	0	0	0	110.9	L129 S166	L129-T131 HydrophobicContact CD2-CG2 4.38Å; L129-T131 HydrophobicContact CG-CG2 4.5Å; T131-S166 VanDerWaalsContact O-CB 3.27Å; T131-S166 WeakPolarHBondContact O-CB 3.5Å; T131-S166 PolarHBondContact O-OG 3.18Å
132	S	87.7	Confident	76.2	Confident	22 Å²	22	62.9 Å²	62.9	15%	0.154	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.8	132.7	172.9	-178.2	0	0	0	0	108.8	Y134 V255	S132-Y134 PolarHBondContact O-N 3.3Å; S132-Y134 WeakPolarHBondContact OG-CD2 3.47Å; S132-Y134 PolarHBondContact OG-N 3.02Å; S132-V255 WeakPolarHBondContact CB-O 3.5Å; S132-V255 PolarHBondContact OG-O 3.04Å
133	S	86.3	Confident	74.7	Confident	39 Å²	39	65 Å²	65	27%	0.273	35%	0.349	S	S	.	.	S	Bend	trans	-70.8	-20.7	175.5	-62.5	0	0	0	0	111.7	K135 S166	S133-K135 PolarHBondContact O-N 3.11Å; S133-S166 WeakPolarHBondContact CB-O 3.46Å; S133-S166 PolarHBondContact N-O 3.35Å; S133-S166 VanDerWaalsContact OG-CB 3.22Å; S133-S166 WeakPolarHBondContact OG-CB 3.28Å; S133-S166 PolarHBondContact OG-O 3.18Å
134	Y	85.5	Confident	73.2	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.02	36%	0.359	C	S	.	.			trans	-72.9	125.2	176.5	-52.1	-65.5	0	0	0	109.9	S132 W167 I248 W251 P252 V255 I257	S132-Y134 PolarHBondContact O-N 3.3Å; S132-Y134 WeakPolarHBondContact OG-CD2 3.47Å; S132-Y134 PolarHBondContact OG-N 3.02Å; Y134-W167 HydrophobicContact CD1-CE3 4.18Å; Y134-W167 AromaticContact CD1-CZ3 3.92Å; Y134-W167 HydrophobicContact CD1-CZ3 3.92Å; Y134-W167 AromaticContact CE1-CE3 3.59Å; Y134-W167 HydrophobicContact CE1-CE3 3.59Å; Y134-W167 AromaticContact CE1-CZ3 3.6Å; Y134-W167 HydrophobicContact CE1-CZ3 3.6Å; Y134-W167 HydrophobicContact CE2-CE3 4.31Å; Y134-W167 WeakPolarHBondContact CE2-O 3.47Å; Y134-W167 AromaticContact CZ-CE3 3.67Å; Y134-W167 PolarHBondContact OH-O 3.4Å; Y134-I248 HydrophobicContact CE1-CD1 4.32Å; Y134-I248 HydrophobicContact CE1-CG2 4.2Å; Y134-I248 VanDerWaalsContact OH-CD1 3.23Å; Y134-I248 WeakPolarHBondContact OH-CD1 3.44Å; Y134-W251 HydrophobicContact CD1-CB 4.19Å; Y134-W251 AromaticContact CD1-CD2 3.5Å; Y134-W251 HydrophobicContact CD1-CD2 3.5Å; Y134-W251 VanDerWaalsContact CD1-CD2 3.5Å; Y134-W251 AromaticContact CD1-CE3 3.46Å; Y134-W251 HydrophobicContact CD1-CE3 3.46Å; Y134-W251 VanDerWaalsContact CD1-CE3 3.46Å; Y134-W251 AromaticContact CD1-CG 3.87Å; Y134-W251 HydrophobicContact CD1-CG 3.87Å; Y134-W251 HydrophobicContact CD1-CZ3 4.03Å; Y134-W251 HydrophobicContact CE1-CB 4.34Å; Y134-W251 HydrophobicContact CE1-CD2 4.09Å; Y134-W251 HydrophobicContact CE1-CE3 4.47Å; Y134-W251 HydrophobicContact CE1-CG 4.07Å; Y134-W251 HydrophobicContact CG-CE3 4.1Å; Y134-P252 HydrophobicContact CD1-CG 4.39Å; Y134-P252 HydrophobicContact CD2-CG 3.67Å; Y134-P252 VanDerWaalsContact CE1-CD 3.44Å; Y134-P252 HydrophobicContact CE1-CG 4.31Å; Y134-P252 HydrophobicContact CE2-CG 3.59Å; Y134-P252 HydrophobicContact CG-CG 4.07Å; Y134-V255 WeakPolarHBondContact O-CG1 3.43Å; Y134-I257 HydrophobicContact CD2-CD1 4.28Å; Y134-I257 HydrophobicContact CD2-CG2 3.67Å; Y134-I257 HydrophobicContact CE2-CD1 4.19Å; Y134-I257 HydrophobicContact CE2-CG2 3.77Å
135	K	75.8	Confident	71.8	Confident	105 Å²	105	71.5 Å²	71.5	46%	0.457	38%	0.383	S	S	.	.			trans	-122.5	130.9	173.2	-64.9	-178.7	178.3	-175.6	0	109.4	S133 D137 V138 W251	S133-K135 PolarHBondContact O-N 3.11Å; K135-D137 PolarHBondContact O-N 3.2Å; K135-D137 VanDerWaalsContact O-N 3.08Å; K135-V138 HydrophobicContact CB-CB 4.25Å; K135-V138 HydrophobicContact CB-CG2 3.79Å; K135-V138 HydrophobicContact CD-CG2 3.83Å; K135-V138 HydrophobicContact CG-CG2 4.43Å; K135-V138 PolarHBondContact O-N 3.24Å; K135-W251 VanDerWaalsContact N-CZ3 3.28Å; K135-W251 WeakPolarHBondContact O-CZ3 3.12Å
136	A	64.4	Low	71.1	Confident	89 Å²	89	76 Å²	76	74%	0.736	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.6	-179.5	0	0	0	0	0	113.6
137	D	64	Low	71.1	Confident	154 Å²	154	73.3 Å²	73.3	82%	0.824	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	2.3	-169.9	-50.8	-40.7	0	0	0	114.6	K135	K135-D137 PolarHBondContact O-N 3.2Å; K135-D137 VanDerWaalsContact O-N 3.08Å
138	V	59.6	Low	71.3	Confident	46 Å²	46	75.8 Å²	75.8	28%	0.279	41%	0.405	S	S	.	.	S	Bend	trans	-104.7	121.2	-176.4	-179.5	0	0	0	0	109.9	K135	K135-V138 HydrophobicContact CB-CB 4.25Å; K135-V138 HydrophobicContact CB-CG2 3.79Å; K135-V138 HydrophobicContact CD-CG2 3.83Å; K135-V138 HydrophobicContact CG-CG2 4.43Å; K135-V138 PolarHBondContact O-N 3.24Å
139	P	53.3	Low	71.7	Confident	88 Å²	88	70.6 Å²	70.6	57%	0.571	39%	0.386	S	S	*	.			trans	-60.5	140.9	177.6	23.7	-31.7	0	0	0	110.7	S141	P139-S141 PolarHBondContact O-N 2.9Å
140	E	55.7	Low	72.1	Confident	120 Å²	120	72 Å²	72	56%	0.561	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-5	-172.8	-61.9	180	149.5	0	0	115.1	W251	E140-W251 HydrophobicContact CG-CG 4.5Å
141	S	51.3	Low	72.5	Confident	93 Å²	93	71.3 Å²	71.3	65%	0.65	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-13.1	-161.9	58.3	0	0	0	0	117	P139	P139-S141 PolarHBondContact O-N 2.9Å
142	D	50	Low	72.9	Confident	140 Å²	140	69 Å²	69	75%	0.749	37%	0.37	S	S	*	.	S	Bend	trans	-121.9	11.1	-163.2	-154.6	31.7	0	0	0	116.1
143	R	51	Low	73.2	Confident	149 Å²	149	69.4 Å²	69.4	56%	0.562	37%	0.373	S	S	*	.			trans	-137.1	64.5	174.8	-65.7	-175.1	-177	-149.3	-6.4	111	L145	R143-L145 HydrophobicContact CB-CD1 4.5Å; R143-L145 PolarHBondContact O-N 2.67Å
144	M	54.6	Low	73.6	Confident	53 Å²	53	70.8 Å²	70.8	26%	0.261	38%	0.375	S	S	.	.			trans	-73.7	53.7	176.3	-158.4	165.4	72.6	0	0	111.4	R146 K247 E588 L591	M144-R146 VanDerWaalsContact CE-NH2 3.34Å; M144-R146 PolarHBondContact O-N 3.35Å; M144-R146 VanDerWaalsContact O-N 3.16Å; M144-K247 HydrophobicContact CG-CD 3.76Å; M144-K247 HydrophobicContact CG-CG 3.95Å; M144-K247 HydrophobicContact SD-CD 3.5Å; M144-K247 VanDerWaalsContact SD-CD 3.5Å; M144-K247 WeakPolarHBondContact SD-CE 3.43Å; M144-K247 HydrophobicContact SD-CG 4.34Å; M144-K247 PolarHBondContact SD-NZ 3.21Å; M144-E588 WeakPolarHBondContact CE-OE1 3.36Å; M144-L591 HydrophobicContact CE-CD1 3.85Å; M144-L591 HydrophobicContact CE-CD2 4.42Å; M144-L591 HydrophobicContact CE-CG 4.39Å
145	L	58.5	Low	74	Confident	104 Å²	104	70.6 Å²	70.6	55%	0.545	37%	0.374	S	S	.	.			trans	-76.5	105.6	179.3	-80.1	158	0	0	0	108.7	R143 W167	R143-L145 HydrophobicContact CB-CD1 4.5Å; R143-L145 PolarHBondContact O-N 2.67Å; L145-W167 HydrophobicContact CB-CZ2 4.07Å
146	R	73.1	Confident	75	Confident	95 Å²	95	66.9 Å²	66.9	36%	0.358	36%	0.36	S	S	.	.			trans	-76.7	134.3	170.7	-56.8	-172	-166.1	77.4	3.4	109.2	M144 H246 E588	M144-R146 VanDerWaalsContact CE-NH2 3.34Å; M144-R146 PolarHBondContact O-N 3.35Å; M144-R146 VanDerWaalsContact O-N 3.16Å; R146-H246 VanDerWaalsContact CA-O 3.27Å; R146-H246 WeakPolarHBondContact CA-O 3.49Å; R146-E588 IonicContact CZ-OE1 3.89Å; R146-E588 VanDerWaalsContact NH1-CD 3.33Å; R146-E588 VanDerWaalsContact NH1-CG 3.32Å; R146-E588 IonicContact NH1-OE1 2.79Å; R146-E588 PolarHBondContact NH1-OE1 3.26Å; R146-E588 IonicContact NH2-OE1 3.6Å; R146-E588 PolarHBondContact NH2-OE1 3.09Å
147	F	88.5	Confident	76.5	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	155.5	163	62.1	-85.6	0	0	0	108.7	D161 Q163 C164 W167 W168 H246 I248	F147-D161 HydrophobicContact CB-CB 4.25Å; F147-Q163 HydrophobicContact CB-CB 4.13Å; F147-C164 HydrophobicContact CD2-CB 3.84Å; F147-C164 HydrophobicContact CE2-CB 4.05Å; F147-W167 HydrophobicContact CD1-CB 4.35Å; F147-W167 AromaticContact CD1-CD1 3.57Å; F147-W167 HydrophobicContact CD1-CG 4.07Å; F147-W167 HydrophobicContact CE1-CB 3.93Å; F147-W167 AromaticContact CE1-CD1 3.98Å; F147-W167 HydrophobicContact CE1-CG 4.02Å; F147-W168 AromaticContact CE2-CD2 3.97Å; F147-W168 HydrophobicContact CE2-CD2 3.97Å; F147-W168 AromaticContact CE2-CE2 3.65Å; F147-W168 AromaticContact CE2-CE3 3.99Å; F147-W168 HydrophobicContact CE2-CE3 3.99Å; F147-W168 AromaticContact CE2-CH2 3.47Å; F147-W168 HydrophobicContact CE2-CH2 3.47Å; F147-W168 VanDerWaalsContact CE2-CH2 3.47Å; F147-W168 AromaticContact CE2-CZ2 3.41Å; F147-W168 HydrophobicContact CE2-CZ2 3.41Å; F147-W168 VanDerWaalsContact CE2-CZ2 3.41Å; F147-W168 AromaticContact CE2-CZ3 3.76Å; F147-W168 HydrophobicContact CE2-CZ3 3.76Å; F147-W168 AromaticContact CZ-CD2 3.86Å; F147-W168 HydrophobicContact CZ-CD2 3.86Å; F147-W168 AromaticContact CZ-CE2 3.27Å; F147-W168 HydrophobicContact CZ-CE3 4.36Å; F147-W168 HydrophobicContact CZ-CG 4.47Å; F147-W168 AromaticContact CZ-CH2 3.92Å; F147-W168 HydrophobicContact CZ-CH2 3.92Å; F147-W168 AromaticContact CZ-CZ2 3.32Å; F147-W168 HydrophobicContact CZ-CZ2 3.32Å; F147-W168 HydrophobicContact CZ-CZ3 4.39Å; F147-W168 AromaticContact CZ-NE1 3.53Å; F147-H246 HydrophobicContact CD1-CB 4.49Å; F147-H246 HydrophobicContact CD2-CB 4.47Å; F147-H246 AromaticContact CD2-CD2 3.81Å; F147-H246 HydrophobicContact CE1-CB 3.92Å; F147-H246 HydrophobicContact CE2-CB 3.9Å; F147-H246 AromaticContact CE2-CD2 3.36Å; F147-H246 WeakPolarHBondContact CE2-CD2 3.39Å; F147-H246 AromaticContact CE2-CG 3.86Å; F147-H246 HydrophobicContact CZ-CB 3.56Å; F147-H246 AromaticContact CZ-CD2 3.95Å; F147-H246 AromaticContact CZ-CG 3.97Å; F147-H246 PolarHBondContact O-N 3.41Å; F147-I248 HydrophobicContact CE1-CD1 4.2Å
148	C	91.8	Very high	77.9	Confident	52 Å²	52	59.5 Å²	59.5	35%	0.351	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.4	-174.1	-61.4	0	0	0	0	111.6	D161 G244	C148-D161 VanDerWaalsContact O-CB 3.29Å; C148-D161 WeakPolarHBondContact O-CB 3.37Å; C148-D161 PolarHBondContact O-N 2.85Å; C148-G244 CarbonylContact C-O 3.55Å; C148-G244 WeakPolarHBondContact CA-O 3.29Å
149	T	94.9	Very high	79.4	Confident	3 Å²	3	59 Å²	59	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.6	168.5	58.8	0	0	0	0	109.2	H151 F157 V160 W168 V243 G244 H246	T149-H151 WeakPolarHBondContact CB-NE2 3.27Å; T149-H151 PolarHBondContact OG1-CE1 3.47Å; T149-H151 PolarHBondContact OG1-NE2 2.82Å; T149-F157 HydrophobicContact CG2-CD1 4.24Å; T149-F157 HydrophobicContact CG2-CE1 3.74Å; T149-V160 HydrophobicContact CG2-CG1 3.88Å; T149-V160 HydrophobicContact CG2-CG2 4.31Å; T149-W168 HydrophobicContact CG2-CH2 3.94Å; T149-W168 HydrophobicContact CG2-CZ3 3.98Å; T149-V243 CarbonylContact O-C 3.58Å; T149-V243 VanDerWaalsContact O-CA 3.31Å; T149-V243 WeakPolarHBondContact O-CA 3.33Å; T149-G244 PolarHBondContact N-O 2.89Å; T149-G244 PolarHBondContact O-N 3.31Å; T149-G244 PolarHBondContact OG1-O 2.97Å; T149-H246 WeakPolarHBondContact CB-NE2 3.47Å; T149-H246 WeakPolarHBondContact CG2-NE2 3.44Å; T149-H246 PolarHBondContact OG1-CE1 3.33Å; T149-H246 PolarHBondContact OG1-NE2 2.97Å
150	R	94.9	Very high	81.3	Confident	61 Å²	61	55.7 Å²	55.7	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.1	171.8	-175.3	179.4	-68.4	-97.4	1.3	108.9	L158 S159 S241 V242 V243	R150-L158 HydrophobicContact CG-CB 4.34Å; R150-L158 HydrophobicContact CG-CD1 4.29Å; R150-L158 PolarHBondContact O-N 3.05Å; R150-S159 WeakPolarHBondContact CB-OG 3.48Å; R150-S159 PolarHBondContact N-O 3.45Å; R150-S159 PolarHBondContact O-N 2.9Å; R150-S241 PolarHBondContact NH1-OG 3.16Å; R150-V242 CarbonylContact C-O 3.33Å; R150-V242 WeakPolarHBondContact CA-O 3.47Å; R150-V243 HydrophobicContact CG-CG2 4.38Å
151	H	95.9	Very high	82.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.2	-174.7	-48.3	-89.6	0	0	0	112.8	T149 L155 D156 F157 L158 F180 W228 S241 V242	T149-H151 WeakPolarHBondContact CB-NE2 3.27Å; T149-H151 PolarHBondContact OG1-CE1 3.47Å; T149-H151 PolarHBondContact OG1-NE2 2.82Å; H151-L155 HydrophobicContact CB-CD2 3.82Å; H151-D156 CarbonylContact C-O 3.59Å; H151-D156 WeakPolarHBondContact CA-O 3.4Å; H151-D156 WeakPolarHBondContact CB-O 3.21Å; H151-F157 AromaticContact CE1-CD1 3.34Å; H151-F157 WeakPolarHBondContact CE1-CD1 3.41Å; H151-F157 AromaticContact CE1-CE1 3.39Å; H151-F157 WeakPolarHBondContact CE1-CE1 3.28Å; H151-F157 AromaticContact ND1-CD1 3.67Å; H151-L158 VanDerWaalsContact C-CD1 3.49Å; H151-F180 AromaticContact CE1-CD2 3.53Å; H151-W228 AromaticContact CD2-CZ3 3.87Å; H151-W228 AromaticContact NE2-CZ3 3.89Å; H151-S241 CarbonylContact O-C 3.58Å; H151-S241 VanDerWaalsContact O-CA 3.26Å; H151-S241 WeakPolarHBondContact O-CA 3.47Å; H151-S241 WeakPolarHBondContact O-CB 3.21Å; H151-V242 HydrophobicContact CB-CB 4.44Å; H151-V242 PolarHBondContact CD2-O 3.4Å; H151-V242 PolarHBondContact N-O 3.17Å; H151-V242 PolarHBondContact O-N 3.41Å
152	T	95	Very high	84.4	Confident	29 Å²	29	50.2 Å²	50.2	18%	0.178	25%	0.251	C	S	.	.			trans	-65.7	167.7	163.5	66.9	0	0	0	0	110.9	Q154 L155 D156 L158	T152-Q154 PolarHBondContact O-N 3.49Å; T152-Q154 PolarHBondContact OG1-N 3.47Å; T152-L155 WeakPolarHBondContact O-CA 3.35Å; T152-L155 PolarHBondContact O-N 2.83Å; T152-D156 HydrophobicContact CG2-CB 4.16Å; T152-D156 PolarHBondContact N-O 2.87Å; T152-D156 WeakPolarHBondContact OG1-CB 3.26Å; T152-D156 PolarHBondContact OG1-N 2.75Å; T152-D156 PolarHBondContact OG1-OD2 3.37Å; T152-L158 HydrophobicContact CG2-CD1 4.18Å; T152-L158 HydrophobicContact CG2-CD2 3.57Å; T152-L158 HydrophobicContact CG2-CG 3.77Å
153	P	92.9	Very high	86.1	Confident	31 Å²	31	47.6 Å²	47.6	20%	0.201	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.8	169.7	-22.8	33.7	0	0	0	114.2	V239 F283	P153-V239 HydrophobicContact CB-CG1 4.22Å; P153-V239 HydrophobicContact CG-CB 4.34Å; P153-V239 HydrophobicContact CG-CG1 4.06Å; P153-V239 VanDerWaalsContact CG-O 3.29Å; P153-V239 WeakPolarHBondContact CG-O 3.42Å; P153-F283 HydrophobicContact CB-CD2 3.71Å; P153-F283 HydrophobicContact CB-CE2 4.08Å; P153-F283 VanDerWaalsContact O-CD2 3.31Å; P153-F283 WeakPolarHBondContact O-CD2 3.16Å; P153-F283 WeakPolarHBondContact O-CE2 3.34Å
154	Q	94.4	Very high	88	Confident	69 Å²	69	40.5 Å²	40.5	32%	0.322	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.2	174.1	-63	179.1	-82.8	0	0	112.6	T152 Q276 L280	T152-Q154 PolarHBondContact O-N 3.49Å; T152-Q154 PolarHBondContact OG1-N 3.47Å; Q154-Q276 HydrophobicContact CB-CB 4.38Å; Q154-Q276 HydrophobicContact CB-CG 4.18Å; Q154-Q276 WeakPolarHBondContact O-CG 3.37Å; Q154-L280 HydrophobicContact CG-CD1 3.99Å; Q154-L280 HydrophobicContact CG-CD2 3.7Å; Q154-L280 HydrophobicContact CG-CG 3.8Å
155	L	95.7	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.			trans	60.4	41.8	-169	-69.9	-178.4	0	0	0	113.8	H151 T152 F180 F181 I192 Q196 W228 V242 L279	H151-L155 HydrophobicContact CB-CD2 3.82Å; T152-L155 WeakPolarHBondContact O-CA 3.35Å; T152-L155 PolarHBondContact O-N 2.83Å; L155-F180 HydrophobicContact CB-CB 4.01Å; L155-F180 VanDerWaalsContact O-CB 3.32Å; L155-F180 WeakPolarHBondContact O-CB 2.92Å; L155-F180 PolarHBondContact O-N 3.47Å; L155-F181 HydrophobicContact CB-CE2 4.25Å; L155-F181 HydrophobicContact CD1-CE1 4.25Å; L155-F181 HydrophobicContact CD1-CE2 4.24Å; L155-F181 HydrophobicContact CD1-CZ 3.79Å; L155-I192 HydrophobicContact CD1-CG2 3.73Å; L155-Q196 HydrophobicContact CD1-CG 4.05Å; L155-W228 HydrophobicContact CD1-CH2 4.49Å; L155-W228 HydrophobicContact CD2-CH2 4.15Å; L155-W228 HydrophobicContact CD2-CZ3 3.84Å; L155-V242 HydrophobicContact CD2-CB 4.15Å; L155-V242 HydrophobicContact CD2-CG1 4Å; L155-L279 HydrophobicContact CB-CD1 4.12Å; L155-L279 HydrophobicContact CD1-CD1 3.75Å; L155-L279 HydrophobicContact CG-CD1 3.66Å
156	D	96	Very high	91.3	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-92.5	134.1	164.9	-52.4	-46.6	0	0	0	109.6	H151 T152 L158 R178 S179 Q276	H151-D156 CarbonylContact C-O 3.59Å; H151-D156 WeakPolarHBondContact CA-O 3.4Å; H151-D156 WeakPolarHBondContact CB-O 3.21Å; T152-D156 HydrophobicContact CG2-CB 4.16Å; T152-D156 PolarHBondContact N-O 2.87Å; T152-D156 WeakPolarHBondContact OG1-CB 3.26Å; T152-D156 PolarHBondContact OG1-N 2.75Å; T152-D156 PolarHBondContact OG1-OD2 3.37Å; D156-L158 PolarHBondContact O-N 3.24Å; D156-R178 WeakPolarHBondContact CA-O 2.81Å; D156-S179 VanDerWaalsContact OD1-CA 3.23Å; D156-S179 WeakPolarHBondContact OD1-CA 3.44Å; D156-S179 VanDerWaalsContact OD1-CB 3.28Å; D156-S179 WeakPolarHBondContact OD1-CB 3.08Å; D156-Q276 PolarHBondContact OD1-NE2 2.86Å
157	F	96.2	Very high	92.2	Very high	4 Å²	4	30 Å²	30	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	120.3	-177.2	-71.5	-81.3	0	0	0	111.3	T149 H151 V160 W168 L175 G177 R178 F180 F183	T149-F157 HydrophobicContact CG2-CD1 4.24Å; T149-F157 HydrophobicContact CG2-CE1 3.74Å; H151-F157 AromaticContact CE1-CD1 3.34Å; H151-F157 WeakPolarHBondContact CE1-CD1 3.41Å; H151-F157 AromaticContact CE1-CE1 3.39Å; H151-F157 WeakPolarHBondContact CE1-CE1 3.28Å; H151-F157 AromaticContact ND1-CD1 3.67Å; F157-V160 HydrophobicContact CB-CG2 4.32Å; F157-V160 HydrophobicContact CD1-CG2 3.51Å; F157-V160 HydrophobicContact CE1-CG2 4.09Å; F157-V160 HydrophobicContact CG-CG2 4.2Å; F157-W168 HydrophobicContact CE1-CZ3 4.12Å; F157-W168 HydrophobicContact CZ-CZ3 4.17Å; F157-L175 WeakPolarHBondContact CB-O 3.33Å; F157-L175 HydrophobicContact CD1-CB 4.48Å; F157-L175 HydrophobicContact CD2-CB 4.03Å; F157-L175 WeakPolarHBondContact CD2-O 3.4Å; F157-L175 HydrophobicContact CE2-CB 4.33Å; F157-L175 HydrophobicContact CE2-CD2 4.13Å; F157-L175 HydrophobicContact CG-CB 4.12Å; F157-L175 HydrophobicContact CZ-CD2 4.34Å; F157-G177 PolarHBondContact O-N 2.86Å; F157-R178 VanDerWaalsContact CD2-O 3.28Å; F157-R178 WeakPolarHBondContact CD2-O 3.04Å; F157-R178 PolarHBondContact N-O 3.17Å; F157-F180 AromaticContact CE1-CD2 3.9Å; F157-F180 HydrophobicContact CE1-CD2 3.9Å; F157-F180 HydrophobicContact CE1-CE2 4.34Å; F157-F180 HydrophobicContact CE2-CB 4.44Å; F157-F180 HydrophobicContact CE2-CD2 4.08Å; F157-F180 AromaticContact CZ-CD2 3.44Å; F157-F180 HydrophobicContact CZ-CD2 3.44Å; F157-F180 VanDerWaalsContact CZ-CD2 3.44Å; F157-F180 AromaticContact CZ-CE2 3.99Å; F157-F180 HydrophobicContact CZ-CE2 3.99Å; F157-F180 HydrophobicContact CZ-CG 4.42Å; F157-F183 HydrophobicContact CD2-CE2 4.43Å; F157-F183 AromaticContact CE2-CD2 3.9Å; F157-F183 HydrophobicContact CE2-CD2 3.9Å; F157-F183 AromaticContact CE2-CE2 3.77Å; F157-F183 HydrophobicContact CE2-CE2 3.77Å
158	L	94	Very high	92.4	Very high	83 Å²	83	30 Å²	30	44%	0.435	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-50.6	172	-72.3	176.2	0	0	0	111.1	R150 H151 T152 D156	R150-L158 HydrophobicContact CG-CB 4.34Å; R150-L158 HydrophobicContact CG-CD1 4.29Å; R150-L158 PolarHBondContact O-N 3.05Å; H151-L158 VanDerWaalsContact C-CD1 3.49Å; T152-L158 HydrophobicContact CG2-CD1 4.18Å; T152-L158 HydrophobicContact CG2-CD2 3.57Å; T152-L158 HydrophobicContact CG2-CG 3.77Å; D156-L158 PolarHBondContact O-N 3.24Å
159	S	90.6	Very high	92.4	Very high	37 Å²	37	27.8 Å²	27.8	26%	0.259	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.1	176.1	65.4	0	0	0	0	110.5	R150	R150-S159 WeakPolarHBondContact CB-OG 3.48Å; R150-S159 PolarHBondContact N-O 3.45Å; R150-S159 PolarHBondContact O-N 2.9Å
160	V	91.7	Very high	92.4	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.109	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	136	-178.2	-173.1	0	0	0	0	108.6	T149 F157 C164 L175	T149-V160 HydrophobicContact CG2-CG1 3.88Å; T149-V160 HydrophobicContact CG2-CG2 4.31Å; F157-V160 HydrophobicContact CB-CG2 4.32Å; F157-V160 HydrophobicContact CD1-CG2 3.51Å; F157-V160 HydrophobicContact CE1-CG2 4.09Å; F157-V160 HydrophobicContact CG-CG2 4.2Å; V160-C164 HydrophobicContact CG1-CB 3.51Å; V160-C164 WeakPolarHBondContact CG1-SG 3.26Å; V160-L175 HydrophobicContact CB-CD1 4.49Å; V160-L175 HydrophobicContact CG1-CD1 4.08Å; V160-L175 HydrophobicContact CG2-CB 4.14Å; V160-L175 HydrophobicContact CG2-CD1 4.06Å
161	D	88.9	Confident	92.3	Very high	61 Å²	61	25 Å²	25	33%	0.326	14%	0.136	S	C	.	.			trans	-59.3	136	172.5	-177.3	-1.4	0	0	0	110.8	F147 C148 Q163 C164	F147-D161 HydrophobicContact CB-CB 4.25Å; C148-D161 VanDerWaalsContact O-CB 3.29Å; C148-D161 WeakPolarHBondContact O-CB 3.37Å; C148-D161 PolarHBondContact O-N 2.85Å; D161-Q163 PolarHBondContact O-N 3.43Å; D161-Q163 VanDerWaalsContact O-N 3.07Å; D161-Q163 PolarHBondContact OD1-N 2.85Å; D161-Q163 VanDerWaalsContact OD1-N 3.17Å; D161-C164 VanDerWaalsContact O-CB 3.26Å; D161-C164 WeakPolarHBondContact O-CB 3.36Å; D161-C164 PolarHBondContact O-N 3.32Å; D161-C164 PolarHBondContact O-SG 3.17Å
162	N	84.6	Confident	92.1	Very high	36 Å²	36	26.1 Å²	26.1	19%	0.193	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-57	-26.3	179.2	-70.8	-29.1	0	0	0	112.7	C164 T165	N162-C164 PolarHBondContact O-N 2.84Å; N162-T165 PolarHBondContact O-N 3.09Å; N162-T165 PolarHBondContact O-OG1 3.44Å; N162-T165 VanDerWaalsContact O-OG1 3.11Å
163	Q	85.8	Confident	91.9	Very high	85 Å²	85	27.1 Å²	27.1	40%	0.397	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-63.1	-22.1	176.1	-59.3	-60.5	82.5	0	0	112.9	F147 D161 T165 S166	F147-Q163 HydrophobicContact CB-CB 4.13Å; D161-Q163 PolarHBondContact O-N 3.43Å; D161-Q163 VanDerWaalsContact O-N 3.07Å; D161-Q163 PolarHBondContact OD1-N 2.85Å; D161-Q163 VanDerWaalsContact OD1-N 3.17Å; Q163-T165 PolarHBondContact O-N 3.49Å; Q163-T165 VanDerWaalsContact O-N 3.15Å; Q163-S166 PolarHBondContact O-N 2.83Å
164	C	91	Very high	91.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-56	-32	176.5	75.3	0	0	0	0	112.4	F147 V160 D161 N162 S166 W167 W168	F147-C164 HydrophobicContact CD2-CB 3.84Å; F147-C164 HydrophobicContact CE2-CB 4.05Å; V160-C164 HydrophobicContact CG1-CB 3.51Å; V160-C164 WeakPolarHBondContact CG1-SG 3.26Å; D161-C164 VanDerWaalsContact O-CB 3.26Å; D161-C164 WeakPolarHBondContact O-CB 3.36Å; D161-C164 PolarHBondContact O-N 3.32Å; D161-C164 PolarHBondContact O-SG 3.17Å; N162-C164 PolarHBondContact O-N 2.84Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.48Å; C164-W167 CarbonylContact O-C 3.53Å; C164-W167 PolarHBondContact O-N 3.39Å; C164-W168 HydrophobicContact CB-CE3 4.13Å; C164-W168 PolarHBondContact O-N 3.01Å
165	T	92	Very high	91.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-44.6	-176.4	-45.5	0	0	0	0	110.4	P106 I130 N162 Q163 W167 G169 Y170 L171 F258	P106-T165 HydrophobicContact CB-CG2 4.4Å; I130-T165 HydrophobicContact CD1-CG2 3.87Å; I130-T165 HydrophobicContact CG2-CG2 4.02Å; N162-T165 PolarHBondContact O-N 3.09Å; N162-T165 PolarHBondContact O-OG1 3.44Å; N162-T165 VanDerWaalsContact O-OG1 3.11Å; Q163-T165 PolarHBondContact O-N 3.49Å; Q163-T165 VanDerWaalsContact O-N 3.15Å; T165-W167 PolarHBondContact O-N 3.31Å; T165-G169 WeakPolarHBondContact O-CA 3.47Å; T165-G169 PolarHBondContact O-N 3.28Å; T165-Y170 VanDerWaalsContact CA-O 3.31Å; T165-Y170 WeakPolarHBondContact CA-O 3.29Å; T165-L171 HydrophobicContact CG2-CD2 3.64Å; T165-L171 HydrophobicContact CG2-CG 4.28Å; T165-F258 HydrophobicContact CG2-CE1 4.16Å; T165-F258 VanDerWaalsContact O-CE1 3.27Å; T165-F258 WeakPolarHBondContact O-CE1 3.42Å
166	S	90.4	Very high	91.6	Very high	19 Å²	19	25.5 Å²	25.5	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-71.4	-9.6	178.8	-65.8	0	0	0	0	114.2	I130 T131 S133 Q163 C164 I257	I130-S166 WeakPolarHBondContact CG2-OG 3.35Å; T131-S166 VanDerWaalsContact O-CB 3.27Å; T131-S166 WeakPolarHBondContact O-CB 3.5Å; T131-S166 PolarHBondContact O-OG 3.18Å; S133-S166 WeakPolarHBondContact CB-O 3.46Å; S133-S166 PolarHBondContact N-O 3.35Å; S133-S166 VanDerWaalsContact OG-CB 3.22Å; S133-S166 WeakPolarHBondContact OG-CB 3.28Å; S133-S166 PolarHBondContact OG-O 3.18Å; Q163-S166 PolarHBondContact O-N 2.83Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.48Å; S166-I257 VanDerWaalsContact O-CD1 3.27Å; S166-I257 WeakPolarHBondContact O-CD1 3.39Å
167	W	91.2	Very high	91.4	Very high	14 Å²	14	26.9 Å²	26.9	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-110.8	-41.6	-178.2	-72.5	116.2	0	0	0	112.9	Y134 L145 F147 C164 T165 I248	Y134-W167 HydrophobicContact CD1-CE3 4.18Å; Y134-W167 AromaticContact CD1-CZ3 3.92Å; Y134-W167 HydrophobicContact CD1-CZ3 3.92Å; Y134-W167 AromaticContact CE1-CE3 3.59Å; Y134-W167 HydrophobicContact CE1-CE3 3.59Å; Y134-W167 AromaticContact CE1-CZ3 3.6Å; Y134-W167 HydrophobicContact CE1-CZ3 3.6Å; Y134-W167 HydrophobicContact CE2-CE3 4.31Å; Y134-W167 WeakPolarHBondContact CE2-O 3.47Å; Y134-W167 AromaticContact CZ-CE3 3.67Å; Y134-W167 PolarHBondContact OH-O 3.4Å; L145-W167 HydrophobicContact CB-CZ2 4.07Å; F147-W167 HydrophobicContact CD1-CB 4.35Å; F147-W167 AromaticContact CD1-CD1 3.57Å; F147-W167 HydrophobicContact CD1-CG 4.07Å; F147-W167 HydrophobicContact CE1-CB 3.93Å; F147-W167 AromaticContact CE1-CD1 3.98Å; F147-W167 HydrophobicContact CE1-CG 4.02Å; C164-W167 CarbonylContact O-C 3.53Å; C164-W167 PolarHBondContact O-N 3.39Å; T165-W167 PolarHBondContact O-N 3.31Å; W167-I248 HydrophobicContact CB-CD1 3.83Å; W167-I248 HydrophobicContact CD2-CD1 3.56Å; W167-I248 HydrophobicContact CE3-CD1 3.2Å; W167-I248 HydrophobicContact CG-CD1 3.86Å; W167-I248 HydrophobicContact CZ3-CD1 3.89Å
168	W	93.2	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-105.7	-11.9	-178.5	-66	-21.2	0	0	0	113.7	F147 T149 F157 C164 Y170 L175 F180 F214 I216 Q217 L224 H246	F147-W168 AromaticContact CE2-CD2 3.97Å; F147-W168 HydrophobicContact CE2-CD2 3.97Å; F147-W168 AromaticContact CE2-CE2 3.65Å; F147-W168 AromaticContact CE2-CE3 3.99Å; F147-W168 HydrophobicContact CE2-CE3 3.99Å; F147-W168 AromaticContact CE2-CH2 3.47Å; F147-W168 HydrophobicContact CE2-CH2 3.47Å; F147-W168 VanDerWaalsContact CE2-CH2 3.47Å; F147-W168 AromaticContact CE2-CZ2 3.41Å; F147-W168 HydrophobicContact CE2-CZ2 3.41Å; F147-W168 VanDerWaalsContact CE2-CZ2 3.41Å; F147-W168 AromaticContact CE2-CZ3 3.76Å; F147-W168 HydrophobicContact CE2-CZ3 3.76Å; F147-W168 AromaticContact CZ-CD2 3.86Å; F147-W168 HydrophobicContact CZ-CD2 3.86Å; F147-W168 AromaticContact CZ-CE2 3.27Å; F147-W168 HydrophobicContact CZ-CE3 4.36Å; F147-W168 HydrophobicContact CZ-CG 4.47Å; F147-W168 AromaticContact CZ-CH2 3.92Å; F147-W168 HydrophobicContact CZ-CH2 3.92Å; F147-W168 AromaticContact CZ-CZ2 3.32Å; F147-W168 HydrophobicContact CZ-CZ2 3.32Å; F147-W168 HydrophobicContact CZ-CZ3 4.39Å; F147-W168 AromaticContact CZ-NE1 3.53Å; T149-W168 HydrophobicContact CG2-CH2 3.94Å; T149-W168 HydrophobicContact CG2-CZ3 3.98Å; F157-W168 HydrophobicContact CE1-CZ3 4.12Å; F157-W168 HydrophobicContact CZ-CZ3 4.17Å; C164-W168 HydrophobicContact CB-CE3 4.13Å; C164-W168 PolarHBondContact O-N 3.01Å; W168-Y170 HydrophobicContact CB-CD2 3.76Å; W168-Y170 HydrophobicContact CB-CE2 4.38Å; W168-Y170 PolarHBondContact O-N 3.12Å; W168-L175 HydrophobicContact CE3-CD1 3.92Å; W168-L175 HydrophobicContact CZ3-CD1 4.08Å; W168-F180 HydrophobicContact CH2-CE2 4.25Å; W168-F214 HydrophobicContact CD2-CD1 4.27Å; W168-F214 AromaticContact CD2-CE1 3.53Å; W168-F214 HydrophobicContact CD2-CE1 3.53Å; W168-F214 HydrophobicContact CD2-CZ 4.02Å; W168-F214 AromaticContact CE2-CD1 3.81Å; W168-F214 AromaticContact CE2-CE1 3.44Å; W168-F214 VanDerWaalsContact CE2-CE1 3.44Å; W168-F214 AromaticContact CE2-CZ 3.91Å; W168-F214 AromaticContact CE3-CE1 3.99Å; W168-F214 HydrophobicContact CE3-CE1 3.99Å; W168-F214 HydrophobicContact CE3-CZ 4.04Å; W168-F214 HydrophobicContact CG-CD1 4.39Å; W168-F214 AromaticContact CG-CE1 3.86Å; W168-F214 HydrophobicContact CG-CE1 3.86Å; W168-F214 HydrophobicContact CH2-CE1 4.26Å; W168-F214 HydrophobicContact CH2-CE2 4.29Å; W168-F214 AromaticContact CH2-CZ 3.86Å; W168-F214 HydrophobicContact CH2-CZ 3.86Å; W168-F214 HydrophobicContact CZ2-CD1 4.22Å; W168-F214 AromaticContact CZ2-CE1 3.84Å; W168-F214 HydrophobicContact CZ2-CE1 3.84Å; W168-F214 HydrophobicContact CZ2-CE2 4.23Å; W168-F214 AromaticContact CZ2-CZ 3.84Å; W168-F214 HydrophobicContact CZ2-CZ 3.84Å; W168-F214 HydrophobicContact CZ3-CE1 4.34Å; W168-F214 AromaticContact CZ3-CZ 3.97Å; W168-F214 HydrophobicContact CZ3-CZ 3.97Å; W168-F214 AromaticContact NE1-CD1 3.72Å; W168-F214 AromaticContact NE1-CE1 3.77Å; W168-I216 HydrophobicContact CB-CG2 4.14Å; W168-I216 HydrophobicContact CG-CG2 4.2Å; W168-I216 WeakPolarHBondContact O-CB 3.42Å; W168-Q217 WeakPolarHBondContact O-CB 3.33Å; W168-Q217 PolarHBondContact O-N 2.93Å; W168-L224 HydrophobicContact CZ2-CD1 3.7Å; W168-H246 AromaticContact CH2-CD2 3.88Å; W168-H246 AromaticContact CH2-NE2 3.85Å
169	G	92.2	Very high	91.4	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	17%	0.168	C	C	.	.	S	Bend	trans	76.2	-11.4	-176.4	0	0	0	0	0	114.8	T165	T165-G169 WeakPolarHBondContact O-CA 3.47Å; T165-G169 PolarHBondContact O-N 3.28Å
170	Y	93.4	Very high	91.6	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	16%	0.156	C	C	.	.			trans	-80.5	138.7	174.4	-59.1	-69.6	0	0	0	111.5	T165 W168 D174 L175 F183 F214 H215 I216 Q217	T165-Y170 VanDerWaalsContact CA-O 3.31Å; T165-Y170 WeakPolarHBondContact CA-O 3.29Å; W168-Y170 HydrophobicContact CB-CD2 3.76Å; W168-Y170 HydrophobicContact CB-CE2 4.38Å; W168-Y170 PolarHBondContact O-N 3.12Å; Y170-D174 HydrophobicContact CD1-CB 4.48Å; Y170-L175 HydrophobicContact CD1-CD2 4.46Å; Y170-L175 HydrophobicContact CD2-CD2 3.84Å; Y170-L175 HydrophobicContact CG-CD2 3.81Å; Y170-L175 HydrophobicContact CG-CG 4.33Å; Y170-F183 HydrophobicContact CD1-CE1 4.44Å; Y170-F183 HydrophobicContact CD2-CE1 4.44Å; Y170-F183 HydrophobicContact CE1-CD1 4.43Å; Y170-F183 AromaticContact CE1-CE1 3.83Å; Y170-F183 HydrophobicContact CE1-CE1 3.83Å; Y170-F183 AromaticContact CE2-CD1 3.8Å; Y170-F183 HydrophobicContact CE2-CD1 3.8Å; Y170-F183 AromaticContact CE2-CE1 3.87Å; Y170-F183 HydrophobicContact CE2-CE1 3.87Å; Y170-F183 AromaticContact CZ-CD1 3.69Å; Y170-F183 AromaticContact CZ-CE1 3.55Å; Y170-F214 HydrophobicContact CE2-CE1 4.45Å; Y170-H215 WeakPolarHBondContact CE2-O 3.19Å; Y170-H215 PolarHBondContact OH-O 3.46Å; Y170-I216 VanDerWaalsContact OH-C 3.3Å; Y170-I216 PolarHBondContact OH-O 3.19Å; Y170-Q217 HydrophobicContact CD1-CB 3.92Å; Y170-Q217 HydrophobicContact CD1-CG 4.46Å; Y170-Q217 HydrophobicContact CE1-CB 3.84Å; Y170-Q217 HydrophobicContact CE1-CG 4.49Å; Y170-Q217 HydrophobicContact CE2-CB 4.45Å; Y170-Q217 HydrophobicContact CG-CB 4.27Å
171	L	93.1	Very high	91.8	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.151	C	C	.	.			trans	-78.2	156.1	167.8	-69.1	166.5	0	0	0	110.7	R97 P106 T165 Q173 D174 L175	R97-L171 HydrophobicContact CG-CD1 3.7Å; P106-L171 HydrophobicContact CB-CD2 4.4Å; T165-L171 HydrophobicContact CG2-CD2 3.64Å; T165-L171 HydrophobicContact CG2-CG 4.28Å; L171-Q173 HydrophobicContact CB-CG 4.46Å; L171-Q173 PolarHBondContact O-N 3.02Å; L171-Q173 VanDerWaalsContact O-N 3.16Å; L171-D174 PolarHBondContact N-OD2 3.3Å; L171-D174 VanDerWaalsContact N-OD2 3.14Å; L171-D174 WeakPolarHBondContact O-CB 3.41Å; L171-D174 PolarHBondContact O-N 3.39Å; L171-L175 PolarHBondContact O-N 3.31Å
172	P	92.1	Very high	92	Very high	24 Å²	24	24.2 Å²	24.2	16%	0.156	14%	0.143	C	C	.	.	H	α-helix	trans	-53.7	-38.5	-179.6	-28.4	35.9	0	0	0	114	D174 L175 A176	P172-D174 VanDerWaalsContact C-N 3.31Å; P172-D174 PolarHBondContact O-N 2.84Å; P172-L175 PolarHBondContact O-N 2.92Å; P172-A176 WeakPolarHBondContact O-CB 2.96Å; P172-A176 PolarHBondContact O-N 3.31Å
173	Q	91.2	Very high	92.5	Very high	49 Å²	49	22.7 Å²	22.7	23%	0.229	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-21.9	176.2	66.6	-89.5	26.3	0	0	114.1	D73 V76 S95 L171 L175	D73-Q173 PolarHBondContact OD1-NE2 2.87Å; V76-Q173 HydrophobicContact CG2-CB 4.32Å; V76-Q173 HydrophobicContact CG2-CG 4.15Å; S95-Q173 PolarHBondContact O-NE2 3.18Å; S95-Q173 PolarHBondContact O-OE1 2.84Å; L171-Q173 HydrophobicContact CB-CG 4.46Å; L171-Q173 PolarHBondContact O-N 3.02Å; L171-Q173 VanDerWaalsContact O-N 3.16Å; Q173-L175 VanDerWaalsContact C-N 3.27Å
174	D	91.9	Very high	92.9	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.059	12%	0.117	C	C	.	.	H	α-helix	trans	-74.4	-23.2	175	-64.1	-37.4	0	0	0	111.3	R97 Y170 L171 P172 R178	R97-D174 IonicContact CZ-OD1 3.22Å; R97-D174 IonicContact CZ-OD2 3.16Å; R97-D174 IonicContact NH1-OD1 3.05Å; R97-D174 PolarHBondContact NH1-OD1 2.64Å; R97-D174 VanDerWaalsContact NH1-OD1 3.12Å; R97-D174 IonicContact NH1-OD2 3.79Å; R97-D174 PolarHBondContact NH1-OD2 3.36Å; R97-D174 IonicContact NH2-OD1 3.48Å; R97-D174 PolarHBondContact NH2-OD1 3.05Å; R97-D174 IonicContact NH2-OD2 2.73Å; Y170-D174 HydrophobicContact CD1-CB 4.48Å; L171-D174 PolarHBondContact N-OD2 3.3Å; L171-D174 VanDerWaalsContact N-OD2 3.14Å; L171-D174 WeakPolarHBondContact O-CB 3.41Å; L171-D174 PolarHBondContact O-N 3.39Å; P172-D174 VanDerWaalsContact C-N 3.31Å; P172-D174 PolarHBondContact O-N 2.84Å; D174-R178 WeakPolarHBondContact O-CD 3.29Å; D174-R178 PolarHBondContact O-NE 3.14Å; D174-R178 VanDerWaalsContact O-NE 3.11Å; D174-R178 PolarHBondContact O-NH1 3.07Å
175	L	93.3	Very high	93	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-97.5	-37.9	-178.9	-62.5	175.8	0	0	0	112.6	F157 V160 W168 Y170 L171 P172 Q173 G177 R178 F183	F157-L175 WeakPolarHBondContact CB-O 3.33Å; F157-L175 HydrophobicContact CD1-CB 4.48Å; F157-L175 HydrophobicContact CD2-CB 4.03Å; F157-L175 WeakPolarHBondContact CD2-O 3.4Å; F157-L175 HydrophobicContact CE2-CB 4.33Å; F157-L175 HydrophobicContact CE2-CD2 4.13Å; F157-L175 HydrophobicContact CG-CB 4.12Å; F157-L175 HydrophobicContact CZ-CD2 4.34Å; V160-L175 HydrophobicContact CB-CD1 4.49Å; V160-L175 HydrophobicContact CG1-CD1 4.08Å; V160-L175 HydrophobicContact CG2-CB 4.14Å; V160-L175 HydrophobicContact CG2-CD1 4.06Å; W168-L175 HydrophobicContact CE3-CD1 3.92Å; W168-L175 HydrophobicContact CZ3-CD1 4.08Å; Y170-L175 HydrophobicContact CD1-CD2 4.46Å; Y170-L175 HydrophobicContact CD2-CD2 3.84Å; Y170-L175 HydrophobicContact CG-CD2 3.81Å; Y170-L175 HydrophobicContact CG-CG 4.33Å; L171-L175 PolarHBondContact O-N 3.31Å; P172-L175 PolarHBondContact O-N 2.92Å; Q173-L175 VanDerWaalsContact C-N 3.27Å; L175-G177 PolarHBondContact O-N 3.05Å; L175-R178 WeakPolarHBondContact O-CB 3.31Å; L175-R178 PolarHBondContact O-N 2.65Å; L175-F183 HydrophobicContact CD2-CE1 3.97Å; L175-F183 HydrophobicContact CD2-CE2 3.91Å; L175-F183 HydrophobicContact CD2-CZ 3.54Å
176	A	91.3	Very high	93	Very high	55 Å²	55	21.6 Å²	21.6	46%	0.455	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	128.6	-174.6	0	0	0	0	0	112.7	P172 R178	P172-A176 WeakPolarHBondContact O-CB 2.96Å; P172-A176 PolarHBondContact O-N 3.31Å; A176-R178 PolarHBondContact O-N 3.33Å
177	G	92.2	Very high	93.1	Very high	57 Å²	57	27.9 Å²	27.9	59%	0.588	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	-3.8	-179.5	0	0	0	0	0	115.8	F157 L175	F157-G177 PolarHBondContact O-N 2.86Å; L175-G177 PolarHBondContact O-N 3.05Å
178	R	94.4	Very high	93.3	Very high	114 Å²	114	28.8 Å²	28.8	43%	0.43	17%	0.165	S	C	.	.	S	Bend	trans	-87	151.5	173.6	-59.5	-172	-179.6	174.1	2.5	110.7	D156 F157 D174 L175 A176 F183	D156-R178 WeakPolarHBondContact CA-O 2.81Å; F157-R178 VanDerWaalsContact CD2-O 3.28Å; F157-R178 WeakPolarHBondContact CD2-O 3.04Å; F157-R178 PolarHBondContact N-O 3.17Å; D174-R178 WeakPolarHBondContact O-CD 3.29Å; D174-R178 PolarHBondContact O-NE 3.14Å; D174-R178 VanDerWaalsContact O-NE 3.11Å; D174-R178 PolarHBondContact O-NH1 3.07Å; L175-R178 WeakPolarHBondContact O-CB 3.31Å; L175-R178 PolarHBondContact O-N 2.65Å; A176-R178 PolarHBondContact O-N 3.33Å; R178-F183 HydrophobicContact CB-CE2 4.17Å
179	S	95.1	Very high	93.3	Very high	9 Å²	9	29.3 Å²	29.3	6%	0.063	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-73.5	133.2	174.4	-175.1	0	0	0	0	111.1	D156 F181 S182	D156-S179 VanDerWaalsContact OD1-CA 3.23Å; D156-S179 WeakPolarHBondContact OD1-CA 3.44Å; D156-S179 VanDerWaalsContact OD1-CB 3.28Å; D156-S179 WeakPolarHBondContact OD1-CB 3.08Å; S179-F181 PolarHBondContact O-N 3.06Å; S179-F181 PolarHBondContact OG-N 3.3Å; S179-S182 VanDerWaalsContact O-CB 3.22Å; S179-S182 WeakPolarHBondContact O-CB 3.4Å; S179-S182 PolarHBondContact O-N 3.02Å; S179-S182 PolarHBondContact O-OG 3.01Å
180	F	95.7	Very high	93.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-51.9	-36.8	173.2	-168.8	-92.4	0	0	0	111.9	H151 L155 F157 W168 S182 F183 V184 I192 Y212 F214 W228 H246	H151-F180 AromaticContact CE1-CD2 3.53Å; L155-F180 HydrophobicContact CB-CB 4.01Å; L155-F180 VanDerWaalsContact O-CB 3.32Å; L155-F180 WeakPolarHBondContact O-CB 2.92Å; L155-F180 PolarHBondContact O-N 3.47Å; F157-F180 AromaticContact CE1-CD2 3.9Å; F157-F180 HydrophobicContact CE1-CD2 3.9Å; F157-F180 HydrophobicContact CE1-CE2 4.34Å; F157-F180 HydrophobicContact CE2-CB 4.44Å; F157-F180 HydrophobicContact CE2-CD2 4.08Å; F157-F180 AromaticContact CZ-CD2 3.44Å; F157-F180 HydrophobicContact CZ-CD2 3.44Å; F157-F180 VanDerWaalsContact CZ-CD2 3.44Å; F157-F180 AromaticContact CZ-CE2 3.99Å; F157-F180 HydrophobicContact CZ-CE2 3.99Å; F157-F180 HydrophobicContact CZ-CG 4.42Å; W168-F180 HydrophobicContact CH2-CE2 4.25Å; F180-S182 PolarHBondContact O-N 3.25Å; F180-S182 VanDerWaalsContact O-N 3.17Å; F180-F183 PolarHBondContact O-N 3.44Å; F180-F183 VanDerWaalsContact O-N 3.12Å; F180-V184 HydrophobicContact CD1-CG2 3.73Å; F180-V184 HydrophobicContact CE1-CG2 3.51Å; F180-V184 HydrophobicContact CZ-CG2 4.47Å; F180-I192 HydrophobicContact CD1-CD1 4.04Å; F180-I192 HydrophobicContact CE1-CD1 3.72Å; F180-Y212 AromaticContact CE1-CE2 3.94Å; F180-Y212 HydrophobicContact CE1-CE2 3.94Å; F180-Y212 HydrophobicContact CZ-CE2 4.12Å; F180-Y212 WeakPolarHBondContact CZ-OH 3.5Å; F180-F214 HydrophobicContact CD2-CE2 4.3Å; F180-F214 HydrophobicContact CE1-CD2 4.25Å; F180-F214 HydrophobicContact CE1-CE2 4.23Å; F180-F214 HydrophobicContact CE2-CD2 4.37Å; F180-F214 AromaticContact CE2-CE2 3.73Å; F180-F214 HydrophobicContact CE2-CE2 3.73Å; F180-F214 AromaticContact CZ-CD2 3.85Å; F180-F214 HydrophobicContact CZ-CD2 3.85Å; F180-F214 AromaticContact CZ-CE2 3.67Å; F180-F214 HydrophobicContact CZ-CE2 3.67Å; F180-W228 HydrophobicContact CD1-CH2 4.5Å; F180-W228 HydrophobicContact CE1-CH2 4.29Å; F180-W228 HydrophobicContact CE1-CZ2 4.31Å; F180-W228 HydrophobicContact CE2-CH2 4.38Å; F180-W228 HydrophobicContact CZ-CH2 4.24Å; F180-W228 HydrophobicContact CZ-CZ2 4.41Å; F180-H246 AromaticContact CE2-CE1 3.95Å
181	F	95.3	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.8	179.4	-61.6	-59.5	0	0	0	114	L155 S179 F183 V184 I189 I192 I193 S267 I272 A275 Q276 L279	L155-F181 HydrophobicContact CB-CE2 4.25Å; L155-F181 HydrophobicContact CD1-CE1 4.25Å; L155-F181 HydrophobicContact CD1-CE2 4.24Å; L155-F181 HydrophobicContact CD1-CZ 3.79Å; S179-F181 PolarHBondContact O-N 3.06Å; S179-F181 PolarHBondContact OG-N 3.3Å; F181-F183 PolarHBondContact O-N 3.09Å; F181-V184 PolarHBondContact O-N 3.38Å; F181-I189 HydrophobicContact CB-CD1 4.36Å; F181-I189 HydrophobicContact CD1-CB 4.39Å; F181-I189 HydrophobicContact CD1-CD1 4.44Å; F181-I189 HydrophobicContact CD1-CG1 4Å; F181-I189 HydrophobicContact CD1-CG2 3.92Å; F181-I189 HydrophobicContact CE1-CG2 3.89Å; F181-I192 HydrophobicContact CE1-CB 4.25Å; F181-I192 HydrophobicContact CE1-CG2 4.06Å; F181-I193 HydrophobicContact CE1-CG1 4.41Å; F181-I193 HydrophobicContact CZ-CG1 4.18Å; F181-S267 WeakPolarHBondContact O-CB 3.49Å; F181-S267 PolarHBondContact O-OG 3.1Å; F181-I272 HydrophobicContact CB-CG1 4.12Å; F181-I272 HydrophobicContact CB-CG2 4.44Å; F181-A275 HydrophobicContact CD1-CB 4.38Å; F181-A275 HydrophobicContact CD2-CB 3.8Å; F181-A275 HydrophobicContact CE1-CB 4.29Å; F181-A275 HydrophobicContact CE2-CB 3.69Å; F181-A275 HydrophobicContact CG-CB 4.14Å; F181-A275 HydrophobicContact CZ-CB 3.93Å; F181-Q276 HydrophobicContact CD2-CG 4.37Å; F181-Q276 HydrophobicContact CE2-CG 4.49Å; F181-L279 HydrophobicContact CE2-CD1 3.69Å; F181-L279 HydrophobicContact CE2-CG 4.46Å; F181-L279 HydrophobicContact CZ-CD1 3.66Å; F181-L279 HydrophobicContact CZ-CG 4.26Å
182	S	93.4	Very high	93.6	Very high	25 Å²	25	33.3 Å²	33.3	18%	0.175	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.4	175.5	-42.7	0	0	0	0	112.6	S179 F180	S179-S182 VanDerWaalsContact O-CB 3.22Å; S179-S182 WeakPolarHBondContact O-CB 3.4Å; S179-S182 PolarHBondContact O-N 3.02Å; S179-S182 PolarHBondContact O-OG 3.01Å; F180-S182 PolarHBondContact O-N 3.25Å; F180-S182 VanDerWaalsContact O-N 3.17Å
183	F	94.2	Very high	93.8	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.018	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-106.5	-0.3	-177.2	-55.2	-85	0	0	0	112.5	F157 Y170 L175 R178 F180 F181 F214 H215	F157-F183 HydrophobicContact CD2-CE2 4.43Å; F157-F183 AromaticContact CE2-CD2 3.9Å; F157-F183 HydrophobicContact CE2-CD2 3.9Å; F157-F183 AromaticContact CE2-CE2 3.77Å; F157-F183 HydrophobicContact CE2-CE2 3.77Å; Y170-F183 HydrophobicContact CD1-CE1 4.44Å; Y170-F183 HydrophobicContact CD2-CE1 4.44Å; Y170-F183 HydrophobicContact CE1-CD1 4.43Å; Y170-F183 AromaticContact CE1-CE1 3.83Å; Y170-F183 HydrophobicContact CE1-CE1 3.83Å; Y170-F183 AromaticContact CE2-CD1 3.8Å; Y170-F183 HydrophobicContact CE2-CD1 3.8Å; Y170-F183 AromaticContact CE2-CE1 3.87Å; Y170-F183 HydrophobicContact CE2-CE1 3.87Å; Y170-F183 AromaticContact CZ-CD1 3.69Å; Y170-F183 AromaticContact CZ-CE1 3.55Å; L175-F183 HydrophobicContact CD2-CE1 3.97Å; L175-F183 HydrophobicContact CD2-CE2 3.91Å; L175-F183 HydrophobicContact CD2-CZ 3.54Å; R178-F183 HydrophobicContact CB-CE2 4.17Å; F180-F183 PolarHBondContact O-N 3.44Å; F180-F183 VanDerWaalsContact O-N 3.12Å; F181-F183 PolarHBondContact O-N 3.09Å; F183-F214 HydrophobicContact CB-CD2 3.99Å; F183-F214 HydrophobicContact CB-CE1 4.1Å; F183-F214 HydrophobicContact CB-CE2 3.4Å; F183-F214 HydrophobicContact CB-CZ 3.45Å; F183-F214 VanDerWaalsContact CB-CZ 3.45Å; F183-F214 HydrophobicContact CD2-CZ 4.5Å; F183-F214 HydrophobicContact CG-CE2 4.26Å; F183-F214 AromaticContact CG-CZ 3.95Å; F183-F214 HydrophobicContact CG-CZ 3.95Å; F183-F214 CarbonylContact O-C 3.59Å; F183-F214 WeakPolarHBondContact O-CA 3.4Å; F183-H215 PolarHBondContact O-N 3.4Å
184	V	94.4	Very high	94	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.192	C	C	.	.	S	Bend	trans	-110.3	129	-179	177.4	0	0	0	0	108.3	F180 F181 H188 I189 I192 Y212 F214 S267	F180-V184 HydrophobicContact CD1-CG2 3.73Å; F180-V184 HydrophobicContact CE1-CG2 3.51Å; F180-V184 HydrophobicContact CZ-CG2 4.47Å; F181-V184 PolarHBondContact O-N 3.38Å; V184-H188 HydrophobicContact CG1-CB 3.71Å; V184-I189 HydrophobicContact CG1-CG1 4.37Å; V184-I192 HydrophobicContact CB-CD1 4.15Å; V184-I192 HydrophobicContact CG1-CD1 3.71Å; V184-I192 HydrophobicContact CG2-CD1 3.59Å; V184-Y212 HydrophobicContact CG2-CD2 4.5Å; V184-Y212 HydrophobicContact CG2-CE2 4.33Å; V184-F214 HydrophobicContact CG2-CD2 4Å; V184-S267 PolarHBondContact O-OG 3.13Å
185	P	92.6	Very high	94.1	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.091	19%	0.191	C	C	.	.			trans	-56.6	141.1	173.7	-22.8	31.9	0	0	0	111.6	K187 H188 Y213	P185-K187 HydrophobicContact CB-CG 4.06Å; P185-K187 PolarHBondContact O-N 2.92Å; P185-H188 PolarHBondContact O-N 3Å; P185-Y213 WeakPolarHBondContact CD-O 3.46Å
186	P	92.1	Very high	94.1	Very high	47 Å²	47	33.2 Å²	33.2	31%	0.305	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-51.6	-36	-175.8	-30.5	35.1	0	0	0	114.7	H188 I189 S267 E271	P186-H188 PolarHBondContact O-N 3.33Å; P186-H188 VanDerWaalsContact O-N 3.13Å; P186-I189 PolarHBondContact O-N 3.45Å; P186-S267 WeakPolarHBondContact CD-OG 3.4Å; P186-E271 WeakPolarHBondContact CG-OE2 3.31Å
187	K	93.2	Very high	94.2	Very high	150 Å²	150	35.4 Å²	35.4	65%	0.652	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-56.7	-26.2	176.8	63.7	174.1	175.9	169.7	0	114.2	P185	P185-K187 HydrophobicContact CB-CG 4.06Å; P185-K187 PolarHBondContact O-N 2.92Å
188	H	94.3	Very high	94.2	Very high	33 Å²	33	37 Å²	37	15%	0.153	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-101.2	-10.4	-178.1	-69.8	-68.7	0	0	0	114.3	V184 P185 P186 P190 C191 I192 Y213	V184-H188 HydrophobicContact CG1-CB 3.71Å; P185-H188 PolarHBondContact O-N 3Å; P186-H188 PolarHBondContact O-N 3.33Å; P186-H188 VanDerWaalsContact O-N 3.13Å; H188-P190 VanDerWaalsContact C-CD 3.47Å; H188-P190 VanDerWaalsContact C-N 3.34Å; H188-C191 WeakPolarHBondContact O-CB 3.41Å; H188-C191 PolarHBondContact O-N 3.48Å; H188-C191 VanDerWaalsContact O-N 3.1Å; H188-I192 PolarHBondContact O-N 3.19Å; H188-Y213 AromaticContact CD2-CD2 3.92Å; H188-Y213 AromaticContact CE1-CD2 3.96Å; H188-Y213 AromaticContact NE2-CD2 3.16Å; H188-Y213 WeakPolarHBondContact NE2-CD2 3.42Å; H188-Y213 AromaticContact NE2-CE2 3.91Å
189	I	94.8	Very high	94.1	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-53.2	-45.6	177.9	-66.6	-179.9	0	0	0	112.2	F181 V184 P186 C191 I192 I193 A275	F181-I189 HydrophobicContact CB-CD1 4.36Å; F181-I189 HydrophobicContact CD1-CB 4.39Å; F181-I189 HydrophobicContact CD1-CD1 4.44Å; F181-I189 HydrophobicContact CD1-CG1 4Å; F181-I189 HydrophobicContact CD1-CG2 3.92Å; F181-I189 HydrophobicContact CE1-CG2 3.89Å; V184-I189 HydrophobicContact CG1-CG1 4.37Å; P186-I189 PolarHBondContact O-N 3.45Å; I189-C191 VanDerWaalsContact C-N 3.26Å; I189-C191 PolarHBondContact O-N 3.04Å; I189-I192 PolarHBondContact O-N 3.45Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 WeakPolarHBondContact O-CG1 3.29Å; I189-I193 PolarHBondContact O-N 3Å; I189-I193 VanDerWaalsContact O-N 3.12Å; I189-A275 HydrophobicContact CG2-CB 3.65Å
190	P	94.5	Very high	93.8	Very high	73 Å²	73	31.2 Å²	31.2	47%	0.474	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-34.7	179.2	-25	35.6	0	0	0	113.8	H188 I192 I193 E194	H188-P190 VanDerWaalsContact C-CD 3.47Å; H188-P190 VanDerWaalsContact C-N 3.34Å; P190-I192 VanDerWaalsContact C-N 3.35Å; P190-I192 PolarHBondContact O-N 3.3Å; P190-I193 PolarHBondContact O-N 2.97Å; P190-E194 PolarHBondContact O-N 2.87Å
191	C	94.9	Very high	93.3	Very high	21 Å²	21	35.9 Å²	35.9	14%	0.142	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-40.7	178.3	176.1	0	0	0	0	111.8	H188 I189 E194 A195	H188-C191 WeakPolarHBondContact O-CB 3.41Å; H188-C191 PolarHBondContact O-N 3.48Å; H188-C191 VanDerWaalsContact O-N 3.1Å; I189-C191 VanDerWaalsContact C-N 3.26Å; I189-C191 PolarHBondContact O-N 3.04Å; C191-E194 PolarHBondContact O-N 3.15Å; C191-A195 PolarHBondContact O-N 3.02Å; C191-A195 VanDerWaalsContact O-N 3.1Å
192	I	95.5	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-43.8	177	-61.6	174.2	0	0	0	110	L155 F180 F181 V184 H188 I189 P190 E194 A195 Q196 Y212 W228	L155-I192 HydrophobicContact CD1-CG2 3.73Å; F180-I192 HydrophobicContact CD1-CD1 4.04Å; F180-I192 HydrophobicContact CE1-CD1 3.72Å; F181-I192 HydrophobicContact CE1-CB 4.25Å; F181-I192 HydrophobicContact CE1-CG2 4.06Å; V184-I192 HydrophobicContact CB-CD1 4.15Å; V184-I192 HydrophobicContact CG1-CD1 3.71Å; V184-I192 HydrophobicContact CG2-CD1 3.59Å; H188-I192 PolarHBondContact O-N 3.19Å; I189-I192 PolarHBondContact O-N 3.45Å; P190-I192 VanDerWaalsContact C-N 3.35Å; P190-I192 PolarHBondContact O-N 3.3Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; I192-A195 WeakPolarHBondContact O-CB 3.38Å; I192-A195 PolarHBondContact O-N 3.45Å; I192-A195 VanDerWaalsContact O-N 3.13Å; I192-Q196 HydrophobicContact CG2-CG 4.39Å; I192-Q196 WeakPolarHBondContact O-CG 3.5Å; I192-Q196 PolarHBondContact O-N 2.88Å; I192-Y212 HydrophobicContact CD1-CD2 4.06Å; I192-Y212 HydrophobicContact CD1-CE2 3.91Å; I192-Y212 HydrophobicContact CD1-CG 4.43Å; I192-Y212 HydrophobicContact CG1-CD1 4.18Å; I192-Y212 HydrophobicContact CG1-CD2 4.43Å; I192-Y212 HydrophobicContact CG1-CE1 4.15Å; I192-Y212 HydrophobicContact CG1-CE2 4.41Å; I192-Y212 HydrophobicContact CG1-CG 4.32Å; I192-W228 HydrophobicContact CG2-CZ2 4.07Å
193	I	95.6	Very high	91.7	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.072	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-42.8	176.9	-65	173.5	0	0	0	111	F181 I189 P190 A195 Q196 Q197 A275 R278 L279 I282	F181-I193 HydrophobicContact CE1-CG1 4.41Å; F181-I193 HydrophobicContact CZ-CG1 4.18Å; I189-I193 HydrophobicContact CG2-CD1 3.85Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 WeakPolarHBondContact O-CG1 3.29Å; I189-I193 PolarHBondContact O-N 3Å; I189-I193 VanDerWaalsContact O-N 3.12Å; P190-I193 PolarHBondContact O-N 2.97Å; I193-A195 VanDerWaalsContact C-N 3.32Å; I193-A195 PolarHBondContact O-N 3.34Å; I193-Q196 PolarHBondContact O-N 2.7Å; I193-Q197 WeakPolarHBondContact O-CB 3.49Å; I193-Q197 PolarHBondContact O-N 2.92Å; I193-A275 HydrophobicContact CD1-CB 4.08Å; I193-R278 HydrophobicContact CD1-CB 4.35Å; I193-L279 HydrophobicContact CB-CD2 4.5Å; I193-L279 HydrophobicContact CG1-CD2 4.2Å; I193-L279 HydrophobicContact CG2-CD2 4.34Å; I193-I282 HydrophobicContact CG2-CD1 3.52Å
194	E	94.8	Very high	90.7	Very high	63 Å²	63	44.1 Å²	44.1	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-58.2	-44.3	174.7	-170.1	-164.5	157.1	0	0	111.3	P190 C191 I192 Q197 K198 K210	P190-E194 PolarHBondContact O-N 2.87Å; C191-E194 PolarHBondContact O-N 3.15Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; E194-Q197 PolarHBondContact O-N 2.69Å; E194-K198 WeakPolarHBondContact O-CG 3.17Å; E194-K198 PolarHBondContact O-N 3.28Å; E194-K198 VanDerWaalsContact O-N 3.07Å; E194-K198 VanDerWaalsContact OE1-CE 3.29Å; E194-K198 WeakPolarHBondContact OE1-CE 3.46Å; E194-K198 IonicContact OE1-NZ 2.71Å; E194-K198 PolarHBondContact OE1-NZ 3.47Å; E194-K210 IonicContact OE1-NZ 2.85Å; E194-K210 PolarHBondContact OE1-NZ 2.9Å; E194-K210 IonicContact OE2-NZ 3.94Å; E194-K210 PolarHBondContact OE2-NZ 2.89Å
195	A	94.7	Very high	90.1	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-41.5	177.6	0	0	0	0	0	112.3	C191 I192 I193 K198 A199	C191-A195 PolarHBondContact O-N 3.02Å; C191-A195 VanDerWaalsContact O-N 3.1Å; I192-A195 WeakPolarHBondContact O-CB 3.38Å; I192-A195 PolarHBondContact O-N 3.45Å; I192-A195 VanDerWaalsContact O-N 3.13Å; I193-A195 VanDerWaalsContact C-N 3.32Å; I193-A195 PolarHBondContact O-N 3.34Å; A195-K198 PolarHBondContact O-N 2.97Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 3.02Å
196	Q	94	Very high	89.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-42.7	175.1	-66.4	-54.8	-34.1	0	0	112	L155 I192 I193 K198 A199 A200 V242 L279 F283	L155-Q196 HydrophobicContact CD1-CG 4.05Å; I192-Q196 HydrophobicContact CG2-CG 4.39Å; I192-Q196 WeakPolarHBondContact O-CG 3.5Å; I192-Q196 PolarHBondContact O-N 2.88Å; I193-Q196 PolarHBondContact O-N 2.7Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.07Å; Q196-A199 PolarHBondContact O-N 3.2Å; Q196-A200 WeakPolarHBondContact O-CB 3.33Å; Q196-A200 PolarHBondContact O-N 2.91Å; Q196-V242 VanDerWaalsContact OE1-CG1 3.24Å; Q196-L279 HydrophobicContact CB-CD2 3.63Å; Q196-L279 HydrophobicContact CG-CD2 3.8Å; Q196-F283 HydrophobicContact CB-CZ 4.26Å
197	Q	93.3	Very high	89.9	Confident	102 Å²	102	53.5 Å²	53.5	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-43.4	176.9	-175	177.7	1.4	0	0	111.9	I193 E194 A200 T201 I282	I193-Q197 WeakPolarHBondContact O-CB 3.49Å; I193-Q197 PolarHBondContact O-N 2.92Å; E194-Q197 PolarHBondContact O-N 2.69Å; Q197-A200 PolarHBondContact O-N 3.26Å; Q197-T201 PolarHBondContact O-N 3.44Å; Q197-T201 VanDerWaalsContact O-N 3.13Å; Q197-T201 PolarHBondContact O-OG1 3.04Å; Q197-I282 HydrophobicContact CB-CD1 4.27Å; Q197-I282 HydrophobicContact CB-CG2 4.02Å; Q197-I282 HydrophobicContact CG-CG2 4.04Å
198	K	92.5	Very high	89.9	Confident	89 Å²	89	50.5 Å²	50.5	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-47.9	173.7	-71.9	176.8	-172.8	173	0	111.1	E194 A195 Q196 A200 T201 F202 V207	E194-K198 WeakPolarHBondContact O-CG 3.17Å; E194-K198 PolarHBondContact O-N 3.28Å; E194-K198 VanDerWaalsContact O-N 3.07Å; E194-K198 VanDerWaalsContact OE1-CE 3.29Å; E194-K198 WeakPolarHBondContact OE1-CE 3.46Å; E194-K198 IonicContact OE1-NZ 2.71Å; E194-K198 PolarHBondContact OE1-NZ 3.47Å; A195-K198 PolarHBondContact O-N 2.97Å; Q196-K198 VanDerWaalsContact C-N 3.33Å; Q196-K198 PolarHBondContact O-N 3.07Å; K198-A200 VanDerWaalsContact C-N 3.27Å; K198-A200 PolarHBondContact O-N 3.27Å; K198-T201 WeakPolarHBondContact O-CB 3.42Å; K198-T201 PolarHBondContact O-N 2.94Å; K198-T201 VanDerWaalsContact O-N 3.09Å; K198-F202 WeakPolarHBondContact O-CD2 3.31Å; K198-F202 PolarHBondContact O-N 2.95Å; K198-F202 VanDerWaalsContact O-N 3.14Å; K198-V207 HydrophobicContact CB-CG1 3.8Å; K198-V207 HydrophobicContact CB-CG2 4.42Å; K198-V207 HydrophobicContact CD-CG1 4.46Å
199	A	91.3	Very high	89.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-36.7	179	0	0	0	0	0	112.5	A195 Q196 F202 A203 V207 W228 V230	A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 3.02Å; Q196-A199 PolarHBondContact O-N 3.2Å; A199-F202 CarbonylContact O-C 3.57Å; A199-F202 PolarHBondContact O-N 3.31Å; A199-A203 PolarHBondContact O-N 3.45Å; A199-V207 HydrophobicContact CB-CB 4.08Å; A199-V207 HydrophobicContact CB-CG2 4.12Å; A199-W228 HydrophobicContact CB-CB 4.18Å; A199-V230 HydrophobicContact CB-CG2 3.68Å
200	A	88.4	Confident	89.8	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-66.4	-38.4	175.3	0	0	0	0	0	112.4	Q196 Q197 K198 F202 A203 F283 V286	Q196-A200 WeakPolarHBondContact O-CB 3.33Å; Q196-A200 PolarHBondContact O-N 2.91Å; Q197-A200 PolarHBondContact O-N 3.26Å; K198-A200 VanDerWaalsContact C-N 3.27Å; K198-A200 PolarHBondContact O-N 3.27Å; A200-F202 VanDerWaalsContact C-N 3.28Å; A200-F202 PolarHBondContact O-N 2.66Å; A200-A203 PolarHBondContact O-N 3.38Å; A200-F283 HydrophobicContact CB-CD1 3.75Å; A200-F283 HydrophobicContact CB-CE1 3.66Å; A200-V286 HydrophobicContact CB-CB 4.44Å; A200-V286 HydrophobicContact CB-CG1 4.36Å; A200-V286 HydrophobicContact CB-CG2 3.64Å
201	T	86	Confident	89.8	Confident	97 Å²	97	53.8 Å²	53.8	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-34.7	178.3	-54.4	0	0	0	0	111.5	Q197 K198	Q197-T201 PolarHBondContact O-N 3.44Å; Q197-T201 VanDerWaalsContact O-N 3.13Å; Q197-T201 PolarHBondContact O-OG1 3.04Å; K198-T201 WeakPolarHBondContact O-CB 3.42Å; K198-T201 PolarHBondContact O-N 2.94Å; K198-T201 VanDerWaalsContact O-N 3.09Å
202	F	80	Confident	89.9	Confident	113 Å²	113	52.8 Å²	52.8	50%	0.496	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	41.6	178.9	-56.5	-71.9	0	0	0	112.2	K198 A199 A200 G204 R205 V207	K198-F202 WeakPolarHBondContact O-CD2 3.31Å; K198-F202 PolarHBondContact O-N 2.95Å; K198-F202 VanDerWaalsContact O-N 3.14Å; A199-F202 CarbonylContact O-C 3.57Å; A199-F202 PolarHBondContact O-N 3.31Å; A200-F202 VanDerWaalsContact C-N 3.28Å; A200-F202 PolarHBondContact O-N 2.66Å; F202-G204 PolarHBondContact O-N 3.11Å; F202-R205 HydrophobicContact CB-CB 4.18Å; F202-R205 WeakPolarHBondContact O-CB 3.11Å; F202-R205 PolarHBondContact O-N 3.12Å; F202-V207 HydrophobicContact CD2-CG2 4.29Å
203	A	73.9	Confident	89.8	Confident	45 Å²	45	56.3 Å²	56.3	37%	0.372	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.3	129.5	-174.1	0	0	0	0	0	113.9	A199 A200 R205 L232	A199-A203 PolarHBondContact O-N 3.45Å; A200-A203 PolarHBondContact O-N 3.38Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3.25Å; A203-L232 HydrophobicContact CB-CD1 3.74Å; A203-L232 HydrophobicContact CB-CG 4.06Å
204	G	73.7	Confident	89.8	Confident	45 Å²	45	55.6 Å²	55.6	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-18.6	-175	0	0	0	0	0	115.9	F202 V230	F202-G204 PolarHBondContact O-N 3.11Å; G204-V230 PolarHBondContact N-O 3.33Å; G204-V230 VanDerWaalsContact N-O 3.08Å
205	R	81.9	Confident	89.7	Confident	178 Å²	178	53.6 Å²	53.6	67%	0.672	28%	0.278	S	S	*	.	S	Bend	trans	-90.1	139.8	173.8	-63	-174.1	177.6	-176.5	-0.9	111	F202 A203	F202-R205 HydrophobicContact CB-CB 4.18Å; F202-R205 WeakPolarHBondContact O-CB 3.11Å; F202-R205 PolarHBondContact O-N 3.12Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3.25Å
206	P	89	Confident	89.7	Confident	60 Å²	60	53.3 Å²	53.3	39%	0.39	28%	0.276	S	S	.	.			trans	-67.6	140	173.9	24.5	-30.4	0	0	0	112.3	E227 W228 V229	P206-E227 VanDerWaalsContact CB-CD 3.45Å; P206-E227 HydrophobicContact CB-CG 3.39Å; P206-E227 WeakPolarHBondContact CB-OE1 3.36Å; P206-E227 VanDerWaalsContact CG-OE1 3.27Å; P206-E227 WeakPolarHBondContact CG-OE1 3.36Å; P206-W228 CarbonylContact C-O 3.52Å; P206-W228 WeakPolarHBondContact CA-O 3.28Å; P206-V229 HydrophobicContact CB-CG2 3.89Å
207	V	92.1	Very high	89.6	Confident	20 Å²	20	54.8 Å²	54.8	12%	0.121	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.8	172.7	174.3	0	0	0	0	109.6	K198 A199 F202 E227 W228	K198-V207 HydrophobicContact CB-CG1 3.8Å; K198-V207 HydrophobicContact CB-CG2 4.42Å; K198-V207 HydrophobicContact CD-CG1 4.46Å; A199-V207 HydrophobicContact CB-CB 4.08Å; A199-V207 HydrophobicContact CB-CG2 4.12Å; F202-V207 HydrophobicContact CD2-CG2 4.29Å; V207-E227 WeakPolarHBondContact O-CA 3.37Å; V207-W228 PolarHBondContact N-O 2.92Å; V207-W228 PolarHBondContact O-N 3.08Å
208	L	92.7	Very high	89.5	Confident	88 Å²	88	50.8 Å²	50.8	46%	0.461	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	174.8	-160.2	64.8	0	0	0	110.4	E225 E227	L208-E225 HydrophobicContact CD1-CG 3.53Å; L208-E225 HydrophobicContact CD2-CG 4.25Å; L208-E225 HydrophobicContact CG-CG 3.92Å; L208-E227 HydrophobicContact CD1-CB 4.14Å
209	S	93.5	Very high	89.4	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.042	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-80.4	155.8	170.7	51.7	0	0	0	0	111.2	T226	S209-T226 WeakPolarHBondContact CB-O 3.48Å; S209-T226 PolarHBondContact N-O 3.29Å; S209-T226 PolarHBondContact OG-N 3.01Å; S209-T226 VanDerWaalsContact OG-N 3.08Å; S209-T226 PolarHBondContact OG-O 3.47Å
210	K	94.4	Very high	89.3	Confident	121 Å²	121	50 Å²	50	53%	0.526	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.6	164.7	-56.4	166.1	179.5	151.7	0	108.3	E194 Y212	E194-K210 IonicContact OE1-NZ 2.85Å; E194-K210 PolarHBondContact OE1-NZ 2.9Å; E194-K210 IonicContact OE2-NZ 3.94Å; E194-K210 PolarHBondContact OE2-NZ 2.89Å; K210-Y212 WeakPolarHBondContact O-CD1 3.36Å; K210-Y212 PolarHBondContact O-N 3.22Å
211	P	94.5	Very high	89.5	Confident	59 Å²	59	52.5 Å²	52.5	38%	0.383	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-54.6	138.4	177.7	-27.3	35.3	0	0	0	112.8	L223 L224 I249	P211-L223 HydrophobicContact CB-CD1 3.84Å; P211-L223 HydrophobicContact CB-CD2 4.1Å; P211-L223 HydrophobicContact CB-CG 3.95Å; P211-L224 CarbonylContact C-O 3.58Å; P211-L224 VanDerWaalsContact CA-O 3.29Å; P211-L224 WeakPolarHBondContact CA-O 3.22Å; P211-I249 HydrophobicContact CB-CD1 3.97Å; P211-I249 HydrophobicContact CG-CD1 3.77Å
212	Y	95.6	Very high	89.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.1	179	60.4	-93.3	0	0	0	112.1	F180 V184 I192 K210 L224 T226	F180-Y212 AromaticContact CE1-CE2 3.94Å; F180-Y212 HydrophobicContact CE1-CE2 3.94Å; F180-Y212 HydrophobicContact CZ-CE2 4.12Å; F180-Y212 WeakPolarHBondContact CZ-OH 3.5Å; V184-Y212 HydrophobicContact CG2-CD2 4.5Å; V184-Y212 HydrophobicContact CG2-CE2 4.33Å; I192-Y212 HydrophobicContact CD1-CD2 4.06Å; I192-Y212 HydrophobicContact CD1-CE2 3.91Å; I192-Y212 HydrophobicContact CD1-CG 4.43Å; I192-Y212 HydrophobicContact CG1-CD1 4.18Å; I192-Y212 HydrophobicContact CG1-CD2 4.43Å; I192-Y212 HydrophobicContact CG1-CE1 4.15Å; I192-Y212 HydrophobicContact CG1-CE2 4.41Å; I192-Y212 HydrophobicContact CG1-CG 4.32Å; K210-Y212 WeakPolarHBondContact O-CD1 3.36Å; K210-Y212 PolarHBondContact O-N 3.22Å; Y212-L224 HydrophobicContact CD2-CB 4.46Å; Y212-L224 HydrophobicContact CE2-CB 4.07Å; Y212-L224 HydrophobicContact CE2-CD1 4.23Å; Y212-L224 PolarHBondContact N-O 2.92Å; Y212-L224 PolarHBondContact O-N 3.41Å; Y212-T226 WeakPolarHBondContact OH-CB 3.29Å; Y212-T226 PolarHBondContact OH-OG1 2.9Å
213	Y	94.8	Very high	90.4	Very high	74 Å²	74	44 Å²	44	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	144.1	176	-68.2	-62.2	0	0	0	112	P185 H188 V221 V222 L223	P185-Y213 WeakPolarHBondContact CD-O 3.46Å; H188-Y213 AromaticContact CD2-CD2 3.92Å; H188-Y213 AromaticContact CE1-CD2 3.96Å; H188-Y213 AromaticContact NE2-CD2 3.16Å; H188-Y213 WeakPolarHBondContact NE2-CD2 3.42Å; H188-Y213 AromaticContact NE2-CE2 3.91Å; Y213-V221 HydrophobicContact CD1-CB 4.2Å; Y213-V221 HydrophobicContact CD1-CG2 4.09Å; Y213-V221 HydrophobicContact CG-CB 4.47Å; Y213-V222 CarbonylContact C-O 3.57Å; Y213-V222 WeakPolarHBondContact CA-O 3.41Å; Y213-L223 HydrophobicContact CD1-CB 4.36Å; Y213-L223 HydrophobicContact CD1-CD1 4.04Å; Y213-L223 HydrophobicContact CE1-CB 4.27Å; Y213-L223 HydrophobicContact CE1-CD1 3.95Å
214	F	94.7	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.8	177.1	-175.2	-88.8	0	0	0	109.9	W168 Y170 F180 F183 V184 I216 V221 V222 L224	W168-F214 HydrophobicContact CD2-CD1 4.27Å; W168-F214 AromaticContact CD2-CE1 3.53Å; W168-F214 HydrophobicContact CD2-CE1 3.53Å; W168-F214 HydrophobicContact CD2-CZ 4.02Å; W168-F214 AromaticContact CE2-CD1 3.81Å; W168-F214 AromaticContact CE2-CE1 3.44Å; W168-F214 VanDerWaalsContact CE2-CE1 3.44Å; W168-F214 AromaticContact CE2-CZ 3.91Å; W168-F214 AromaticContact CE3-CE1 3.99Å; W168-F214 HydrophobicContact CE3-CE1 3.99Å; W168-F214 HydrophobicContact CE3-CZ 4.04Å; W168-F214 HydrophobicContact CG-CD1 4.39Å; W168-F214 AromaticContact CG-CE1 3.86Å; W168-F214 HydrophobicContact CG-CE1 3.86Å; W168-F214 HydrophobicContact CH2-CE1 4.26Å; W168-F214 HydrophobicContact CH2-CE2 4.29Å; W168-F214 AromaticContact CH2-CZ 3.86Å; W168-F214 HydrophobicContact CH2-CZ 3.86Å; W168-F214 HydrophobicContact CZ2-CD1 4.22Å; W168-F214 AromaticContact CZ2-CE1 3.84Å; W168-F214 HydrophobicContact CZ2-CE1 3.84Å; W168-F214 HydrophobicContact CZ2-CE2 4.23Å; W168-F214 AromaticContact CZ2-CZ 3.84Å; W168-F214 HydrophobicContact CZ2-CZ 3.84Å; W168-F214 HydrophobicContact CZ3-CE1 4.34Å; W168-F214 AromaticContact CZ3-CZ 3.97Å; W168-F214 HydrophobicContact CZ3-CZ 3.97Å; W168-F214 AromaticContact NE1-CD1 3.72Å; W168-F214 AromaticContact NE1-CE1 3.77Å; Y170-F214 HydrophobicContact CE2-CE1 4.45Å; F180-F214 HydrophobicContact CD2-CE2 4.3Å; F180-F214 HydrophobicContact CE1-CD2 4.25Å; F180-F214 HydrophobicContact CE1-CE2 4.23Å; F180-F214 HydrophobicContact CE2-CD2 4.37Å; F180-F214 AromaticContact CE2-CE2 3.73Å; F180-F214 HydrophobicContact CE2-CE2 3.73Å; F180-F214 AromaticContact CZ-CD2 3.85Å; F180-F214 HydrophobicContact CZ-CD2 3.85Å; F180-F214 AromaticContact CZ-CE2 3.67Å; F180-F214 HydrophobicContact CZ-CE2 3.67Å; F183-F214 HydrophobicContact CB-CD2 3.99Å; F183-F214 HydrophobicContact CB-CE1 4.1Å; F183-F214 HydrophobicContact CB-CE2 3.4Å; F183-F214 HydrophobicContact CB-CZ 3.45Å; F183-F214 VanDerWaalsContact CB-CZ 3.45Å; F183-F214 HydrophobicContact CD2-CZ 4.5Å; F183-F214 HydrophobicContact CG-CE2 4.26Å; F183-F214 AromaticContact CG-CZ 3.95Å; F183-F214 HydrophobicContact CG-CZ 3.95Å; F183-F214 CarbonylContact O-C 3.59Å; F183-F214 WeakPolarHBondContact O-CA 3.4Å; V184-F214 HydrophobicContact CG2-CD2 4Å; F214-I216 HydrophobicContact CD1-CG2 4.39Å; F214-V221 CarbonylContact O-C 3.5Å; F214-V221 WeakPolarHBondContact O-CA 3.47Å; F214-V222 HydrophobicContact CB-CG2 4.15Å; F214-V222 HydrophobicContact CD1-CG2 4.43Å; F214-V222 PolarHBondContact N-O 3.13Å; F214-V222 PolarHBondContact O-N 2.89Å; F214-L224 HydrophobicContact CB-CD1 3.39Å; F214-L224 HydrophobicContact CB-CG 3.84Å; F214-L224 HydrophobicContact CD1-CD1 4.08Å; F214-L224 HydrophobicContact CD2-CD1 3.88Å; F214-L224 HydrophobicContact CG-CD1 3.53Å; F214-L224 HydrophobicContact CG-CG 4.46Å
215	H	93.8	Very high	92.2	Very high	20 Å²	20	41 Å²	41	9%	0.093	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.7	179.3	-74.1	-72	0	0	0	111.3	Y170 F183 D220 V221 V264 C265	Y170-H215 WeakPolarHBondContact CE2-O 3.19Å; Y170-H215 PolarHBondContact OH-O 3.46Å; F183-H215 PolarHBondContact O-N 3.4Å; H215-D220 WeakPolarHBondContact CA-O 3.26Å; H215-V221 WeakPolarHBondContact CE1-CG1 3.41Å; H215-V221 WeakPolarHBondContact ND1-CG1 3.43Å; H215-V264 HydrophobicContact CB-CG1 4.01Å; H215-C265 PolarHBondContact NE2-O 3.19Å
216	I	93.3	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.			trans	-94.1	171.3	173.6	57.1	157.7	0	0	0	111	W168 Y170 F214 N218 G219 D220 V222 P252 I257	W168-I216 HydrophobicContact CB-CG2 4.14Å; W168-I216 HydrophobicContact CG-CG2 4.2Å; W168-I216 WeakPolarHBondContact O-CB 3.42Å; Y170-I216 VanDerWaalsContact OH-C 3.3Å; Y170-I216 PolarHBondContact OH-O 3.19Å; F214-I216 HydrophobicContact CD1-CG2 4.39Å; I216-N218 WeakPolarHBondContact CD1-OD1 3.45Å; I216-N218 WeakPolarHBondContact CG1-OD1 3.3Å; I216-N218 PolarHBondContact O-N 3.41Å; I216-G219 PolarHBondContact O-N 3.26Å; I216-D220 HydrophobicContact CD1-CB 4.14Å; I216-D220 HydrophobicContact CG1-CB 4.07Å; I216-D220 VanDerWaalsContact CG1-O 3.29Å; I216-D220 WeakPolarHBondContact CG1-O 3.38Å; I216-D220 PolarHBondContact N-O 3.37Å; I216-V222 HydrophobicContact CD1-CG1 4.17Å; I216-V222 HydrophobicContact CG1-CG1 4.33Å; I216-V222 HydrophobicContact CG2-CB 4.45Å; I216-V222 HydrophobicContact CG2-CG1 3.78Å; I216-V222 HydrophobicContact CG2-CG2 3.79Å; I216-P252 HydrophobicContact CD1-CB 3.63Å; I216-P252 HydrophobicContact CD1-CG 3.89Å; I216-I257 HydrophobicContact CD1-CB 4.17Å; I216-I257 HydrophobicContact CD1-CG2 3.62Å
217	Q	92.4	Very high	93	Very high	30 Å²	30	31.6 Å²	31.6	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.1	-170.5	170.2	73.5	-2.8	0	0	113.6	W168 Y170 G219 I257 P260 A261	W168-Q217 WeakPolarHBondContact O-CB 3.33Å; W168-Q217 PolarHBondContact O-N 2.93Å; Y170-Q217 HydrophobicContact CD1-CB 3.92Å; Y170-Q217 HydrophobicContact CD1-CG 4.46Å; Y170-Q217 HydrophobicContact CE1-CB 3.84Å; Y170-Q217 HydrophobicContact CE1-CG 4.49Å; Y170-Q217 HydrophobicContact CE2-CB 4.45Å; Y170-Q217 HydrophobicContact CG-CB 4.27Å; Q217-G219 PolarHBondContact O-N 3.41Å; Q217-I257 WeakPolarHBondContact CB-O 3.16Å; Q217-P260 WeakPolarHBondContact O-CA 3.42Å; Q217-A261 PolarHBondContact O-N 3.32Å
218	N	90.7	Very high	93.1	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.7	176.8	74.5	-5.4	0	0	0	115.4	I216 D220 N254 D256 I257 R259 A261	I216-N218 WeakPolarHBondContact CD1-OD1 3.45Å; I216-N218 WeakPolarHBondContact CG1-OD1 3.3Å; I216-N218 PolarHBondContact O-N 3.41Å; N218-D220 PolarHBondContact O-N 3.45Å; N218-D220 WeakPolarHBondContact OD1-CB 3.44Å; N218-D220 PolarHBondContact OD1-N 3.07Å; N218-D220 VanDerWaalsContact OD1-N 3.07Å; N218-N254 PolarHBondContact ND2-O 3.05Å; N218-D256 WeakPolarHBondContact CB-O 3.26Å; N218-D256 PolarHBondContact ND2-O 3.46Å; N218-I257 PolarHBondContact N-O 2.9Å; N218-R259 WeakPolarHBondContact CA-O 3.43Å; N218-R259 WeakPolarHBondContact CB-O 3.39Å; N218-A261 WeakPolarHBondContact O-CB 3.45Å
219	G	89.9	Confident	93.1	Very high	22 Å²	22	26.7 Å²	26.7	23%	0.227	14%	0.139	C	C	.	.	S	Bend	trans	84.7	-14.5	178.7	0	0	0	0	0	114.8	I216 Q217	I216-G219 PolarHBondContact O-N 3.26Å; Q217-G219 PolarHBondContact O-N 3.41Å
220	D	91	Very high	93	Very high	52 Å²	52	26.4 Å²	26.4	28%	0.278	14%	0.137	S	C	.	.			trans	-65.2	164.7	173.1	-77.4	-6.4	0	0	0	111.1	H215 I216 N218 P252 G253 N254	H215-D220 WeakPolarHBondContact CA-O 3.26Å; I216-D220 HydrophobicContact CD1-CB 4.14Å; I216-D220 HydrophobicContact CG1-CB 4.07Å; I216-D220 VanDerWaalsContact CG1-O 3.29Å; I216-D220 WeakPolarHBondContact CG1-O 3.38Å; I216-D220 PolarHBondContact N-O 3.37Å; N218-D220 PolarHBondContact O-N 3.45Å; N218-D220 WeakPolarHBondContact OD1-CB 3.44Å; N218-D220 PolarHBondContact OD1-N 3.07Å; N218-D220 VanDerWaalsContact OD1-N 3.07Å; D220-P252 HydrophobicContact CB-CB 3.93Å; D220-G253 PolarHBondContact OD2-N 3.01Å; D220-N254 WeakPolarHBondContact OD2-CB 3.43Å; D220-N254 PolarHBondContact OD2-N 3.48Å
221	V	91.2	Very high	92.7	Very high	55 Å²	55	22.6 Å²	22.6	33%	0.333	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.8	174.5	-68.4	0	0	0	0	110.4	Y213 F214 H215	Y213-V221 HydrophobicContact CD1-CB 4.2Å; Y213-V221 HydrophobicContact CD1-CG2 4.09Å; Y213-V221 HydrophobicContact CG-CB 4.47Å; F214-V221 CarbonylContact O-C 3.5Å; F214-V221 WeakPolarHBondContact O-CA 3.47Å; H215-V221 WeakPolarHBondContact CE1-CG1 3.41Å; H215-V221 WeakPolarHBondContact ND1-CG1 3.43Å
222	V	92	Very high	92.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.1	170.5	-59.2	0	0	0	0	109.2	Y213 F214 I216 L224 P252	Y213-V222 CarbonylContact C-O 3.57Å; Y213-V222 WeakPolarHBondContact CA-O 3.41Å; F214-V222 HydrophobicContact CB-CG2 4.15Å; F214-V222 HydrophobicContact CD1-CG2 4.43Å; F214-V222 PolarHBondContact N-O 3.13Å; F214-V222 PolarHBondContact O-N 2.89Å; I216-V222 HydrophobicContact CD1-CG1 4.17Å; I216-V222 HydrophobicContact CG1-CG1 4.33Å; I216-V222 HydrophobicContact CG2-CB 4.45Å; I216-V222 HydrophobicContact CG2-CG1 3.78Å; I216-V222 HydrophobicContact CG2-CG2 3.79Å; V222-L224 HydrophobicContact CG2-CD2 4Å; V222-L224 HydrophobicContact CG2-CG 4.06Å; V222-P252 HydrophobicContact CG1-CB 4.01Å; V222-P252 HydrophobicContact CG1-CG 4.18Å
223	L	92.9	Very high	91.7	Very high	31 Å²	31	23.5 Å²	23.5	16%	0.162	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.3	174.3	-172	68.6	0	0	0	108.7	P211 Y213 I249 L250	P211-L223 HydrophobicContact CB-CD1 3.84Å; P211-L223 HydrophobicContact CB-CD2 4.1Å; P211-L223 HydrophobicContact CB-CG 3.95Å; Y213-L223 HydrophobicContact CD1-CB 4.36Å; Y213-L223 HydrophobicContact CD1-CD1 4.04Å; Y213-L223 HydrophobicContact CE1-CB 4.27Å; Y213-L223 HydrophobicContact CE1-CD1 3.95Å; L223-I249 HydrophobicContact CB-CB 4.34Å; L223-I249 HydrophobicContact CD2-CB 4.04Å; L223-I249 HydrophobicContact CD2-CD1 4.46Å; L223-I249 HydrophobicContact CD2-CG2 3.92Å; L223-I249 HydrophobicContact CG-CB 4.24Å; L223-I249 PolarHBondContact O-N 2.85Å; L223-L250 HydrophobicContact CB-CB 3.46Å; L223-L250 VanDerWaalsContact CB-CB 3.46Å; L223-L250 HydrophobicContact CD2-CB 4.37Å; L223-L250 PolarHBondContact N-O 3.03Å
224	L	93.1	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.7	178.9	-65.3	-177.3	0	0	0	111.3	W168 P211 Y212 F214 V222 K247 I248	W168-L224 HydrophobicContact CZ2-CD1 3.7Å; P211-L224 CarbonylContact C-O 3.58Å; P211-L224 VanDerWaalsContact CA-O 3.29Å; P211-L224 WeakPolarHBondContact CA-O 3.22Å; Y212-L224 HydrophobicContact CD2-CB 4.46Å; Y212-L224 HydrophobicContact CE2-CB 4.07Å; Y212-L224 HydrophobicContact CE2-CD1 4.23Å; Y212-L224 PolarHBondContact N-O 2.92Å; Y212-L224 PolarHBondContact O-N 3.41Å; F214-L224 HydrophobicContact CB-CD1 3.39Å; F214-L224 HydrophobicContact CB-CG 3.84Å; F214-L224 HydrophobicContact CD1-CD1 4.08Å; F214-L224 HydrophobicContact CD2-CD1 3.88Å; F214-L224 HydrophobicContact CG-CD1 3.53Å; F214-L224 HydrophobicContact CG-CG 4.46Å; V222-L224 HydrophobicContact CG2-CD2 4Å; V222-L224 HydrophobicContact CG2-CG 4.06Å; L224-K247 WeakPolarHBondContact CA-O 3.32Å; L224-I248 HydrophobicContact CD2-CB 4.37Å; L224-I248 HydrophobicContact CD2-CG1 3.45Å; L224-I248 VanDerWaalsContact CD2-CG1 3.45Å
225	E	91.9	Very high	89.9	Confident	26 Å²	26	23.3 Å²	23.3	12%	0.121	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.9	160.5	169.2	177.4	-105.5	0	0	107.3	L208 K247 I249	L208-E225 HydrophobicContact CD1-CG 3.53Å; L208-E225 HydrophobicContact CD2-CG 4.25Å; L208-E225 HydrophobicContact CG-CG 3.92Å; E225-K247 PolarHBondContact N-O 2.82Å; E225-K247 WeakPolarHBondContact O-CB 3.28Å; E225-K247 PolarHBondContact O-N 3.25Å; E225-K247 IonicContact OE2-NZ 3.55Å; E225-K247 PolarHBondContact OE2-NZ 3.28Å; E225-I249 HydrophobicContact CB-CD1 3.45Å; E225-I249 VanDerWaalsContact CB-CD1 3.45Å; E225-I249 HydrophobicContact CB-CG1 4.07Å; E225-I249 HydrophobicContact CG-CD1 4.46Å
226	T	94.4	Very high	89.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.8	-174.1	-59.6	0	0	0	0	110.8	S209 Y212 W228 R245 H246	S209-T226 WeakPolarHBondContact CB-O 3.48Å; S209-T226 PolarHBondContact N-O 3.29Å; S209-T226 PolarHBondContact OG-N 3.01Å; S209-T226 VanDerWaalsContact OG-N 3.08Å; S209-T226 PolarHBondContact OG-O 3.47Å; Y212-T226 WeakPolarHBondContact OH-CB 3.29Å; Y212-T226 PolarHBondContact OH-OG1 2.9Å; T226-W228 HydrophobicContact CG2-CD2 3.74Å; T226-W228 VanDerWaalsContact CG2-CE2 3.43Å; T226-W228 HydrophobicContact CG2-CE3 4.22Å; T226-W228 HydrophobicContact CG2-CG 4.23Å; T226-W228 HydrophobicContact CG2-CH2 4.25Å; T226-W228 HydrophobicContact CG2-CZ2 3.73Å; T226-W228 HydrophobicContact CG2-CZ3 4.47Å; T226-R245 WeakPolarHBondContact CA-O 3.23Å; T226-H246 VanDerWaalsContact CG2-ND1 3.31Å; T226-H246 WeakPolarHBondContact CG2-ND1 3.48Å; T226-H246 PolarHBondContact OG1-ND1 3.44Å
227	E	93.9	Very high	88.5	Confident	42 Å²	42	26.6 Å²	26.6	20%	0.196	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.8	171	-171.7	-174.1	-167.5	0	0	108.8	P206 V207 L208 R245	P206-E227 VanDerWaalsContact CB-CD 3.45Å; P206-E227 HydrophobicContact CB-CG 3.39Å; P206-E227 WeakPolarHBondContact CB-OE1 3.36Å; P206-E227 VanDerWaalsContact CG-OE1 3.27Å; P206-E227 WeakPolarHBondContact CG-OE1 3.36Å; V207-E227 WeakPolarHBondContact O-CA 3.37Å; L208-E227 HydrophobicContact CD1-CB 4.14Å; E227-R245 HydrophobicContact CB-CB 4.29Å; E227-R245 PolarHBondContact N-O 2.88Å; E227-R245 PolarHBondContact O-N 2.98Å; E227-R245 IonicContact OE1-CZ 2.89Å; E227-R245 IonicContact OE1-NH2 2.69Å; E227-R245 PolarHBondContact OE1-NH2 3.41Å; E227-R245 IonicContact OE2-CZ 2.86Å; E227-R245 IonicContact OE2-NE 3.13Å; E227-R245 PolarHBondContact OE2-NE 3Å; E227-R245 IonicContact OE2-NH2 3.5Å; E227-R245 PolarHBondContact OE2-NH2 3.47Å
228	W	94.5	Very high	88.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	-174.3	-64.6	102.8	0	0	0	111.1	H151 L155 F180 I192 A199 P206 V207 T226 V242 V243	H151-W228 AromaticContact CD2-CZ3 3.87Å; H151-W228 AromaticContact NE2-CZ3 3.89Å; L155-W228 HydrophobicContact CD1-CH2 4.49Å; L155-W228 HydrophobicContact CD2-CH2 4.15Å; L155-W228 HydrophobicContact CD2-CZ3 3.84Å; F180-W228 HydrophobicContact CD1-CH2 4.5Å; F180-W228 HydrophobicContact CE1-CH2 4.29Å; F180-W228 HydrophobicContact CE1-CZ2 4.31Å; F180-W228 HydrophobicContact CE2-CH2 4.38Å; F180-W228 HydrophobicContact CZ-CH2 4.24Å; F180-W228 HydrophobicContact CZ-CZ2 4.41Å; I192-W228 HydrophobicContact CG2-CZ2 4.07Å; A199-W228 HydrophobicContact CB-CB 4.18Å; P206-W228 CarbonylContact C-O 3.52Å; P206-W228 WeakPolarHBondContact CA-O 3.28Å; V207-W228 PolarHBondContact N-O 2.92Å; V207-W228 PolarHBondContact O-N 3.08Å; T226-W228 HydrophobicContact CG2-CD2 3.74Å; T226-W228 VanDerWaalsContact CG2-CE2 3.43Å; T226-W228 HydrophobicContact CG2-CE3 4.22Å; T226-W228 HydrophobicContact CG2-CG 4.23Å; T226-W228 HydrophobicContact CG2-CH2 4.25Å; T226-W228 HydrophobicContact CG2-CZ2 3.73Å; T226-W228 HydrophobicContact CG2-CZ3 4.47Å; W228-V242 HydrophobicContact CE3-CG1 3.67Å; W228-V242 HydrophobicContact CZ3-CG1 4.05Å; W228-V243 CarbonylContact C-O 3.5Å; W228-V243 WeakPolarHBondContact CA-O 3.38Å
229	V	92.4	Very high	87.9	Confident	4 Å²	4	28 Å²	28	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.6	174.1	-178.9	0	0	0	0	108.2	P206 L231 V243	P206-V229 HydrophobicContact CB-CG2 3.89Å; V229-L231 HydrophobicContact CG1-CD2 3.94Å; V229-V243 HydrophobicContact CB-CB 4.46Å; V229-V243 PolarHBondContact N-O 3.48Å; V229-V243 PolarHBondContact O-N 3.34Å
230	V	91.5	Very high	87.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.3	173.8	176	0	0	0	0	108.6	A199 G204 L232 V239 V242 F283	A199-V230 HydrophobicContact CB-CG2 3.68Å; G204-V230 PolarHBondContact N-O 3.33Å; G204-V230 VanDerWaalsContact N-O 3.08Å; V230-L232 HydrophobicContact CG1-CD2 4.22Å; V230-V239 HydrophobicContact CG1-CB 4.31Å; V230-V239 HydrophobicContact CG1-CG1 3.65Å; V230-V239 HydrophobicContact CG1-CG2 3.76Å; V230-V242 HydrophobicContact CG2-CG2 4.36Å; V230-F283 HydrophobicContact CG1-CE1 4.41Å; V230-F283 HydrophobicContact CG2-CE1 4.03Å; V230-F283 HydrophobicContact CG2-CZ 4.28Å
231	L	88	Confident	87.8	Confident	41 Å²	41	27.9 Å²	27.9	22%	0.215	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.2	177.8	-59.2	176	0	0	0	109.1	V229 D240 S241 V243	V229-L231 HydrophobicContact CG1-CD2 3.94Å; L231-D240 PolarHBondContact O-N 3.38Å; L231-S241 WeakPolarHBondContact CB-O 3.48Å; L231-S241 PolarHBondContact N-O 3.14Å; L231-S241 PolarHBondContact O-N 3.36Å; L231-V243 HydrophobicContact CD1-CG2 3.65Å; L231-V243 HydrophobicContact CG-CG2 4.35Å
232	L	86.9	Confident	88	Confident	36 Å²	36	25.3 Å²	25.3	19%	0.188	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.5	176.2	-57.4	-177.7	0	0	0	109.4	A203 V230 I238 V239	A203-L232 HydrophobicContact CB-CD1 3.74Å; A203-L232 HydrophobicContact CB-CG 4.06Å; V230-L232 HydrophobicContact CG1-CD2 4.22Å; L232-I238 CarbonylContact C-O 3.56Å; L232-V239 HydrophobicContact CD2-CB 4.33Å; L232-V239 HydrophobicContact CD2-CG2 3.68Å
233	H	82.5	Confident	88	Confident	41 Å²	41	26.5 Å²	26.5	19%	0.19	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-60.7	126.6	166.9	-178.9	-95.4	0	0	0	107.6	W235 N236 C237 I238 D240 F460	H233-W235 VanDerWaalsContact C-N 3.28Å; H233-W235 AromaticContact CD2-CE3 3.87Å; H233-W235 AromaticContact CE1-CD2 3.62Å; H233-W235 AromaticContact CE1-CE3 2.97Å; H233-W235 AromaticContact CE1-CG 3.97Å; H233-W235 AromaticContact CE1-CZ3 3.74Å; H233-W235 AromaticContact ND1-CE3 3.56Å; H233-W235 AromaticContact NE2-CE3 3.15Å; H233-W235 AromaticContact NE2-CZ3 3.4Å; H233-W235 WeakPolarHBondContact NE2-CZ3 3.32Å; H233-W235 PolarHBondContact O-N 3.25Å; H233-N236 WeakPolarHBondContact CB-OD1 3.45Å; H233-N236 PolarHBondContact ND1-OD1 3.09Å; H233-N236 PolarHBondContact O-OD1 3.14Å; H233-C237 WeakPolarHBondContact O-CA 3.14Å; H233-C237 PolarHBondContact O-N 2.9Å; H233-I238 WeakPolarHBondContact CB-O 3.41Å; H233-I238 PolarHBondContact N-O 3.08Å; H233-D240 HydrophobicContact CB-CB 3.88Å; H233-F460 AromaticContact CE1-CD2 3.57Å; H233-F460 AromaticContact CE1-CE2 3.76Å
234	P	77.6	Confident	88.1	Confident	21 Å²	21	25 Å²	25	14%	0.136	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1.8	-149	44.7	-50.2	0	0	0	111.9	N456 Y559	P234-N456 HydrophobicContact CB-CB 3.84Å; P234-N456 WeakPolarHBondContact CB-ND2 3.44Å; P234-N456 WeakPolarHBondContact CB-OD1 3.24Å; P234-N456 HydrophobicContact CG-CB 3.66Å; P234-N456 WeakPolarHBondContact CG-OD1 3.49Å; P234-N456 WeakPolarHBondContact O-CB 3.49Å; P234-N456 PolarHBondContact O-ND2 3.39Å; P234-Y559 HydrophobicContact CG-CE1 4.41Å
235	W	73.9	Confident	88.1	Confident	49 Å²	49	27.8 Å²	27.8	19%	0.186	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-47.2	170.3	-66.5	-100.7	0	0	0	114.6	H233 E455 N456 L457 F459 F460	H233-W235 VanDerWaalsContact C-N 3.28Å; H233-W235 AromaticContact CD2-CE3 3.87Å; H233-W235 AromaticContact CE1-CD2 3.62Å; H233-W235 AromaticContact CE1-CE3 2.97Å; H233-W235 AromaticContact CE1-CG 3.97Å; H233-W235 AromaticContact CE1-CZ3 3.74Å; H233-W235 AromaticContact ND1-CE3 3.56Å; H233-W235 AromaticContact NE2-CE3 3.15Å; H233-W235 AromaticContact NE2-CZ3 3.4Å; H233-W235 WeakPolarHBondContact NE2-CZ3 3.32Å; H233-W235 PolarHBondContact O-N 3.25Å; W235-E455 VanDerWaalsContact CH2-O 3.31Å; W235-E455 WeakPolarHBondContact CH2-O 3.35Å; W235-E455 WeakPolarHBondContact CZ2-O 3.47Å; W235-N456 HydrophobicContact CD2-CB 4Å; W235-N456 HydrophobicContact CE3-CB 4.28Å; W235-N456 HydrophobicContact CG-CB 4.31Å; W235-N456 VanDerWaalsContact CG-O 3.22Å; W235-N456 VanDerWaalsContact CZ2-C 3.47Å; W235-N456 HydrophobicContact CZ2-CB 4.5Å; W235-N456 PolarHBondContact NE1-O 3.37Å; W235-L457 VanDerWaalsContact NE1-N 3.2Å; W235-F459 HydrophobicContact CH2-CB 3.65Å; W235-F459 HydrophobicContact CZ2-CB 3.82Å; W235-F459 VanDerWaalsContact CZ2-N 3.32Å; W235-F460 HydrophobicContact CB-CB 4.35Å; W235-F460 HydrophobicContact CB-CD1 3.84Å; W235-F460 HydrophobicContact CB-CD2 3.97Å; W235-F460 HydrophobicContact CB-CE1 3.92Å; W235-F460 HydrophobicContact CB-CE2 4.05Å; W235-F460 HydrophobicContact CB-CG 3.88Å; W235-F460 HydrophobicContact CB-CZ 4.03Å; W235-F460 AromaticContact CD1-CD1 3.37Å; W235-F460 AromaticContact CD1-CG 3.4Å; W235-F460 VanDerWaalsContact CD1-CG 3.4Å; W235-F460 HydrophobicContact CD2-CB 3.46Å; W235-F460 VanDerWaalsContact CD2-CB 3.46Å; W235-F460 HydrophobicContact CD2-CD2 4.2Å; W235-F460 AromaticContact CD2-CG 3.94Å; W235-F460 HydrophobicContact CD2-CG 3.94Å; W235-F460 HydrophobicContact CE3-CB 4.35Å; W235-F460 HydrophobicContact CG-CB 3.44Å; W235-F460 VanDerWaalsContact CG-CB 3.44Å; W235-F460 AromaticContact CG-CD1 3.71Å; W235-F460 HydrophobicContact CG-CD1 3.71Å; W235-F460 AromaticContact CG-CD2 3.9Å; W235-F460 HydrophobicContact CG-CD2 3.9Å; W235-F460 HydrophobicContact CG-CE1 4.29Å; W235-F460 HydrophobicContact CG-CE2 4.47Å; W235-F460 AromaticContact CG-CG 3.49Å; W235-F460 HydrophobicContact CG-CG 3.49Å; W235-F460 VanDerWaalsContact CG-CG 3.49Å; W235-F460 HydrophobicContact CZ2-CB 3.91Å; W235-F460 AromaticContact NE1-CG 3.79Å
236	N	78.6	Confident	88.2	Confident	61 Å²	61	26.5 Å²	26.5	33%	0.326	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.7	-174.6	59.6	5.8	0	0	0	111.5	H233 I238 F460	H233-N236 WeakPolarHBondContact CB-OD1 3.45Å; H233-N236 PolarHBondContact ND1-OD1 3.09Å; H233-N236 PolarHBondContact O-OD1 3.14Å; N236-I238 HydrophobicContact CB-CD1 4.19Å; N236-I238 HydrophobicContact CB-CG1 4.05Å; N236-I238 WeakPolarHBondContact ND2-CD1 3.39Å; N236-I238 PolarHBondContact O-N 2.84Å; N236-I238 PolarHBondContact OD1-N 3.31Å; N236-F460 HydrophobicContact CB-CZ 4.44Å
237	C	78.6	Confident	87.9	Confident	29 Å²	29	28.6 Å²	28.6	20%	0.196	14%	0.144	C	C	.	.			trans	54.6	21.8	-178.1	-57.7	0	0	0	0	113.5	H233 F290	H233-C237 WeakPolarHBondContact O-CA 3.14Å; H233-C237 PolarHBondContact O-N 2.9Å; C237-F290 HydrophobicContact CB-CD1 3.49Å; C237-F290 VanDerWaalsContact CB-CD1 3.49Å; C237-F290 HydrophobicContact CB-CE1 3.62Å; C237-F290 HydrophobicContact CB-CG 4.12Å; C237-F290 HydrophobicContact CB-CZ 4.31Å; C237-F290 WeakPolarHBondContact SG-CE1 3.39Å
238	I	84.6	Confident	87.7	Confident	70 Å²	70	27.8 Å²	27.8	36%	0.359	14%	0.14	S	C	.	.			trans	-80.2	141.2	173.3	-63.6	-177.9	0	0	0	107.7	L232 H233 N236 D240	L232-I238 CarbonylContact C-O 3.56Å; H233-I238 WeakPolarHBondContact CB-O 3.41Å; H233-I238 PolarHBondContact N-O 3.08Å; N236-I238 HydrophobicContact CB-CD1 4.19Å; N236-I238 HydrophobicContact CB-CG1 4.05Å; N236-I238 WeakPolarHBondContact ND2-CD1 3.39Å; N236-I238 PolarHBondContact O-N 2.84Å; N236-I238 PolarHBondContact OD1-N 3.31Å; I238-D240 PolarHBondContact O-N 2.85Å
239	V	87.3	Confident	87.4	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	114.8	173	-177.1	0	0	0	0	110.9	P153 V230 L232 V242 F283	P153-V239 HydrophobicContact CB-CG1 4.22Å; P153-V239 HydrophobicContact CG-CB 4.34Å; P153-V239 HydrophobicContact CG-CG1 4.06Å; P153-V239 VanDerWaalsContact CG-O 3.29Å; P153-V239 WeakPolarHBondContact CG-O 3.42Å; V230-V239 HydrophobicContact CG1-CB 4.31Å; V230-V239 HydrophobicContact CG1-CG1 3.65Å; V230-V239 HydrophobicContact CG1-CG2 3.76Å; L232-V239 HydrophobicContact CD2-CB 4.33Å; L232-V239 HydrophobicContact CD2-CG2 3.68Å; V239-V242 HydrophobicContact CG1-CG2 4.34Å; V239-F283 HydrophobicContact CB-CB 4.44Å; V239-F283 HydrophobicContact CB-CG 4.34Å; V239-F283 HydrophobicContact CG1-CD2 4.39Å; V239-F283 HydrophobicContact CG1-CE2 4.42Å; V239-F283 HydrophobicContact CG1-CG 4.49Å; V239-F283 HydrophobicContact CG2-CB 3.92Å; V239-F283 HydrophobicContact CG2-CD1 3.8Å; V239-F283 HydrophobicContact CG2-CE1 4.42Å; V239-F283 HydrophobicContact CG2-CG 3.86Å
240	D	87.5	Confident	87.2	Confident	71 Å²	71	33.9 Å²	33.9	38%	0.38	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-55.1	177.5	176.6	57.2	0	0	0	110.2	L231 H233 I238	L231-D240 PolarHBondContact O-N 3.38Å; H233-D240 HydrophobicContact CB-CB 3.88Å; I238-D240 PolarHBondContact O-N 2.85Å
241	S	91.4	Very high	87	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.7	-175.1	50	0	0	0	0	111.9	R150 H151 L231	R150-S241 PolarHBondContact NH1-OG 3.16Å; H151-S241 CarbonylContact O-C 3.58Å; H151-S241 VanDerWaalsContact O-CA 3.26Å; H151-S241 WeakPolarHBondContact O-CA 3.47Å; H151-S241 WeakPolarHBondContact O-CB 3.21Å; L231-S241 WeakPolarHBondContact CB-O 3.48Å; L231-S241 PolarHBondContact N-O 3.14Å; L231-S241 PolarHBondContact O-N 3.36Å
242	V	93.7	Very high	87.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130	174.7	-179.4	0	0	0	0	107.9	R150 H151 L155 Q196 W228 V230 V239 F283	R150-V242 CarbonylContact C-O 3.33Å; R150-V242 WeakPolarHBondContact CA-O 3.47Å; H151-V242 HydrophobicContact CB-CB 4.44Å; H151-V242 PolarHBondContact CD2-O 3.4Å; H151-V242 PolarHBondContact N-O 3.17Å; H151-V242 PolarHBondContact O-N 3.41Å; L155-V242 HydrophobicContact CD2-CB 4.15Å; L155-V242 HydrophobicContact CD2-CG1 4Å; Q196-V242 VanDerWaalsContact OE1-CG1 3.24Å; W228-V242 HydrophobicContact CE3-CG1 3.67Å; W228-V242 HydrophobicContact CZ3-CG1 4.05Å; V230-V242 HydrophobicContact CG2-CG2 4.36Å; V239-V242 HydrophobicContact CG1-CG2 4.34Å; V242-F283 HydrophobicContact CG2-CE2 4.12Å; V242-F283 HydrophobicContact CG2-CZ 3.9Å
243	V	93.7	Very high	87	Confident	26 Å²	26	36.9 Å²	36.9	16%	0.158	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.5	176.2	179	0	0	0	0	109.2	T149 R150 W228 V229 L231	T149-V243 CarbonylContact O-C 3.58Å; T149-V243 VanDerWaalsContact O-CA 3.31Å; T149-V243 WeakPolarHBondContact O-CA 3.33Å; R150-V243 HydrophobicContact CG-CG2 4.38Å; W228-V243 CarbonylContact C-O 3.5Å; W228-V243 WeakPolarHBondContact CA-O 3.38Å; V229-V243 HydrophobicContact CB-CB 4.46Å; V229-V243 PolarHBondContact N-O 3.48Å; V229-V243 PolarHBondContact O-N 3.34Å; L231-V243 HydrophobicContact CD1-CG2 3.65Å; L231-V243 HydrophobicContact CG-CG2 4.35Å
244	G	93.8	Very high	87.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	173.4	0	0	0	0	0	110.6	C148 T149 H246	C148-G244 CarbonylContact C-O 3.55Å; C148-G244 WeakPolarHBondContact CA-O 3.29Å; T149-G244 PolarHBondContact N-O 2.89Å; T149-G244 PolarHBondContact O-N 3.31Å; T149-G244 PolarHBondContact OG1-O 2.97Å; G244-H246 PolarHBondContact O-NE2 3.47Å
245	R	93.1	Very high	87.6	Confident	57 Å²	57	40.2 Å²	40.2	22%	0.215	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.3	168.4	-56.4	-165.1	-77.7	-137.8	-0.8	108.7	T226 E227	T226-R245 WeakPolarHBondContact CA-O 3.23Å; E227-R245 HydrophobicContact CB-CB 4.29Å; E227-R245 PolarHBondContact N-O 2.88Å; E227-R245 PolarHBondContact O-N 2.98Å; E227-R245 IonicContact OE1-CZ 2.89Å; E227-R245 IonicContact OE1-NH2 2.69Å; E227-R245 PolarHBondContact OE1-NH2 3.41Å; E227-R245 IonicContact OE2-CZ 2.86Å; E227-R245 IonicContact OE2-NE 3.13Å; E227-R245 PolarHBondContact OE2-NE 3Å; E227-R245 IonicContact OE2-NH2 3.5Å; E227-R245 PolarHBondContact OE2-NH2 3.47Å
246	H	93.6	Very high	88.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.9	-170.7	-53.4	-68.7	0	0	0	111.3	R146 F147 T149 W168 F180 T226 G244	R146-H246 VanDerWaalsContact CA-O 3.27Å; R146-H246 WeakPolarHBondContact CA-O 3.49Å; F147-H246 HydrophobicContact CD1-CB 4.49Å; F147-H246 HydrophobicContact CD2-CB 4.47Å; F147-H246 AromaticContact CD2-CD2 3.81Å; F147-H246 HydrophobicContact CE1-CB 3.92Å; F147-H246 HydrophobicContact CE2-CB 3.9Å; F147-H246 AromaticContact CE2-CD2 3.36Å; F147-H246 WeakPolarHBondContact CE2-CD2 3.39Å; F147-H246 AromaticContact CE2-CG 3.86Å; F147-H246 HydrophobicContact CZ-CB 3.56Å; F147-H246 AromaticContact CZ-CD2 3.95Å; F147-H246 AromaticContact CZ-CG 3.97Å; F147-H246 PolarHBondContact O-N 3.41Å; T149-H246 WeakPolarHBondContact CB-NE2 3.47Å; T149-H246 WeakPolarHBondContact CG2-NE2 3.44Å; T149-H246 PolarHBondContact OG1-CE1 3.33Å; T149-H246 PolarHBondContact OG1-NE2 2.97Å; W168-H246 AromaticContact CH2-CD2 3.88Å; W168-H246 AromaticContact CH2-NE2 3.85Å; F180-H246 AromaticContact CE2-CE1 3.95Å; T226-H246 VanDerWaalsContact CG2-ND1 3.31Å; T226-H246 WeakPolarHBondContact CG2-ND1 3.48Å; T226-H246 PolarHBondContact OG1-ND1 3.44Å; G244-H246 PolarHBondContact O-NE2 3.47Å
247	K	89.8	Confident	88.8	Confident	44 Å²	44	37.3 Å²	37.3	19%	0.191	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.8	169.7	175	-178.7	163.9	-172.5	0	108.6	M144 L224 E225	M144-K247 HydrophobicContact CG-CD 3.76Å; M144-K247 HydrophobicContact CG-CG 3.95Å; M144-K247 HydrophobicContact SD-CD 3.5Å; M144-K247 VanDerWaalsContact SD-CD 3.5Å; M144-K247 WeakPolarHBondContact SD-CE 3.43Å; M144-K247 HydrophobicContact SD-CG 4.34Å; M144-K247 PolarHBondContact SD-NZ 3.21Å; L224-K247 WeakPolarHBondContact CA-O 3.32Å; E225-K247 PolarHBondContact N-O 2.82Å; E225-K247 WeakPolarHBondContact O-CB 3.28Å; E225-K247 PolarHBondContact O-N 3.25Å; E225-K247 IonicContact OE2-NZ 3.55Å; E225-K247 PolarHBondContact OE2-NZ 3.28Å
248	I	89.7	Confident	89.3	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.9	174.7	-66.3	154.8	0	0	0	108.4	Y134 F147 W167 L224 L250	Y134-I248 HydrophobicContact CE1-CD1 4.32Å; Y134-I248 HydrophobicContact CE1-CG2 4.2Å; Y134-I248 VanDerWaalsContact OH-CD1 3.23Å; Y134-I248 WeakPolarHBondContact OH-CD1 3.44Å; F147-I248 HydrophobicContact CE1-CD1 4.2Å; W167-I248 HydrophobicContact CB-CD1 3.83Å; W167-I248 HydrophobicContact CD2-CD1 3.56Å; W167-I248 HydrophobicContact CE3-CD1 3.2Å; W167-I248 HydrophobicContact CG-CD1 3.86Å; W167-I248 HydrophobicContact CZ3-CD1 3.89Å; L224-I248 HydrophobicContact CD2-CB 4.37Å; L224-I248 HydrophobicContact CD2-CG1 3.45Å; L224-I248 VanDerWaalsContact CD2-CG1 3.45Å; I248-L250 WeakPolarHBondContact CG2-O 3.48Å
249	I	88.1	Confident	89.3	Confident	55 Å²	55	42.3 Å²	42.3	28%	0.282	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-51.3	176.9	-63	172.1	0	0	0	109.9	P211 L223 E225	P211-I249 HydrophobicContact CB-CD1 3.97Å; P211-I249 HydrophobicContact CG-CD1 3.77Å; L223-I249 HydrophobicContact CB-CB 4.34Å; L223-I249 HydrophobicContact CD2-CB 4.04Å; L223-I249 HydrophobicContact CD2-CD1 4.46Å; L223-I249 HydrophobicContact CD2-CG2 3.92Å; L223-I249 HydrophobicContact CG-CB 4.24Å; L223-I249 PolarHBondContact O-N 2.85Å; E225-I249 HydrophobicContact CB-CD1 3.45Å; E225-I249 VanDerWaalsContact CB-CD1 3.45Å; E225-I249 HydrophobicContact CB-CG1 4.07Å; E225-I249 HydrophobicContact CG-CD1 4.46Å
250	L	88	Confident	89.1	Confident	76 Å²	76	46.4 Å²	46.4	40%	0.398	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.7	-179.3	-172.4	68.7	0	0	0	109.6	L223 I248	L223-L250 HydrophobicContact CB-CB 3.46Å; L223-L250 VanDerWaalsContact CB-CB 3.46Å; L223-L250 HydrophobicContact CD2-CB 4.37Å; L223-L250 PolarHBondContact N-O 3.03Å; I248-L250 WeakPolarHBondContact CG2-O 3.48Å
251	W	87.5	Confident	88.7	Confident	48 Å²	48	44.6 Å²	44.6	18%	0.182	25%	0.246	C	C	.	.			trans	-79.8	153.7	-178.7	-69.1	40.5	0	0	0	110.4	Y134 K135 E140	Y134-W251 HydrophobicContact CD1-CB 4.19Å; Y134-W251 AromaticContact CD1-CD2 3.5Å; Y134-W251 HydrophobicContact CD1-CD2 3.5Å; Y134-W251 VanDerWaalsContact CD1-CD2 3.5Å; Y134-W251 AromaticContact CD1-CE3 3.46Å; Y134-W251 HydrophobicContact CD1-CE3 3.46Å; Y134-W251 VanDerWaalsContact CD1-CE3 3.46Å; Y134-W251 AromaticContact CD1-CG 3.87Å; Y134-W251 HydrophobicContact CD1-CG 3.87Å; Y134-W251 HydrophobicContact CD1-CZ3 4.03Å; Y134-W251 HydrophobicContact CE1-CB 4.34Å; Y134-W251 HydrophobicContact CE1-CD2 4.09Å; Y134-W251 HydrophobicContact CE1-CE3 4.47Å; Y134-W251 HydrophobicContact CE1-CG 4.07Å; Y134-W251 HydrophobicContact CG-CE3 4.1Å; K135-W251 VanDerWaalsContact N-CZ3 3.28Å; K135-W251 WeakPolarHBondContact O-CZ3 3.12Å; E140-W251 HydrophobicContact CG-CG 4.5Å
252	P	88.7	Confident	87.4	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.071	29%	0.289	C	S	.	.			trans	-67	151.4	174.5	30.5	-33.9	0	0	0	110.2	Y134 I216 D220 V222 N254 I257	Y134-P252 HydrophobicContact CD1-CG 4.39Å; Y134-P252 HydrophobicContact CD2-CG 3.67Å; Y134-P252 VanDerWaalsContact CE1-CD 3.44Å; Y134-P252 HydrophobicContact CE1-CG 4.31Å; Y134-P252 HydrophobicContact CE2-CG 3.59Å; Y134-P252 HydrophobicContact CG-CG 4.07Å; I216-P252 HydrophobicContact CD1-CB 3.63Å; I216-P252 HydrophobicContact CD1-CG 3.89Å; D220-P252 HydrophobicContact CB-CB 3.93Å; V222-P252 HydrophobicContact CG1-CB 4.01Å; V222-P252 HydrophobicContact CG1-CG 4.18Å; P252-N254 VanDerWaalsContact C-N 3.3Å; P252-N254 PolarHBondContact O-N 3.33Å; P252-I257 HydrophobicContact CG-CG2 4.13Å
253	G	84.7	Confident	85.7	Confident	83 Å²	83	61.4 Å²	61.4	86%	0.856	33%	0.33	S	S	*	.	S	Bend	trans	-65.6	-36.5	176.1	0	0	0	0	0	111.8	D220	D220-G253 PolarHBondContact OD2-N 3.01Å
254	N	86.3	Confident	84.2	Confident	76 Å²	76	61.6 Å²	61.6	41%	0.406	33%	0.331	S	S	.	.			trans	-100.3	120.3	173.3	-175.1	5.7	0	0	0	111.6	N218 D220 P252 D256	N218-N254 PolarHBondContact ND2-O 3.05Å; D220-N254 WeakPolarHBondContact OD2-CB 3.43Å; D220-N254 PolarHBondContact OD2-N 3.48Å; P252-N254 VanDerWaalsContact C-N 3.3Å; P252-N254 PolarHBondContact O-N 3.33Å; N254-D256 VanDerWaalsContact C-N 3.28Å; N254-D256 PolarHBondContact O-N 3.26Å; N254-D256 WeakPolarHBondContact OD1-CB 3.21Å; N254-D256 PolarHBondContact OD1-N 2.81Å
255	V	86.6	Confident	82.5	Confident	56 Å²	56	66.4 Å²	66.4	34%	0.339	36%	0.364	S	S	.	.	S	Bend	trans	-70.9	-22.2	178.5	173.9	0	0	0	0	112.7	S132 Y134 I257	S132-V255 WeakPolarHBondContact CB-O 3.5Å; S132-V255 PolarHBondContact OG-O 3.04Å; Y134-V255 WeakPolarHBondContact O-CG1 3.43Å; V255-I257 PolarHBondContact O-N 2.86Å; V255-I257 VanDerWaalsContact O-N 3.08Å
256	D	86.5	Confident	81.4	Confident	48 Å²	48	70.5 Å²	70.5	26%	0.257	38%	0.379	S	S	.	.			trans	-80.5	87.1	175.5	-168.4	-2.3	0	0	0	110.7	N218 N254 R259	N218-D256 WeakPolarHBondContact CB-O 3.26Å; N218-D256 PolarHBondContact ND2-O 3.46Å; N254-D256 VanDerWaalsContact C-N 3.28Å; N254-D256 PolarHBondContact O-N 3.26Å; N254-D256 WeakPolarHBondContact OD1-CB 3.21Å; N254-D256 PolarHBondContact OD1-N 2.81Å; D256-R259 VanDerWaalsContact OD2-CD 3.24Å; D256-R259 WeakPolarHBondContact OD2-CD 3.36Å; D256-R259 IonicContact OD2-CZ 2.94Å; D256-R259 IonicContact OD2-NE 3.59Å; D256-R259 PolarHBondContact OD2-NE 3.18Å; D256-R259 IonicContact OD2-NH1 3.04Å; D256-R259 IonicContact OD2-NH2 3.4Å; D256-R259 PolarHBondContact OD2-NH2 2.74Å
257	I	91	Very high	80.8	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.381	C	S	.	.			trans	-85.3	-13.1	-173.8	64.9	177.1	0	0	0	114.1	Y134 S166 I216 Q217 N218 P252 V255	Y134-I257 HydrophobicContact CD2-CD1 4.28Å; Y134-I257 HydrophobicContact CD2-CG2 3.67Å; Y134-I257 HydrophobicContact CE2-CD1 4.19Å; Y134-I257 HydrophobicContact CE2-CG2 3.77Å; S166-I257 VanDerWaalsContact O-CD1 3.27Å; S166-I257 WeakPolarHBondContact O-CD1 3.39Å; I216-I257 HydrophobicContact CD1-CB 4.17Å; I216-I257 HydrophobicContact CD1-CG2 3.62Å; Q217-I257 WeakPolarHBondContact CB-O 3.16Å; N218-I257 PolarHBondContact N-O 2.9Å; P252-I257 HydrophobicContact CG-CG2 4.13Å; V255-I257 PolarHBondContact O-N 2.86Å; V255-I257 VanDerWaalsContact O-N 3.08Å
258	F	90	Very high	80.5	Confident	37 Å²	37	71.1 Å²	71.1	16%	0.162	39%	0.389	C	S	.	.	S	Bend	trans	-89	-17.5	-171	-59.7	-59.4	0	0	0	113.8	P106 I130 T165 P260	P106-F258 HydrophobicContact CB-CD1 4.43Å; P106-F258 HydrophobicContact CB-CE1 4.48Å; P106-F258 HydrophobicContact CG-CB 4.39Å; P106-F258 HydrophobicContact CG-CD1 3.54Å; P106-F258 HydrophobicContact CG-CD2 3.98Å; P106-F258 HydrophobicContact CG-CE1 3.64Å; P106-F258 HydrophobicContact CG-CE2 4.07Å; P106-F258 HydrophobicContact CG-CG 3.71Å; P106-F258 HydrophobicContact CG-CZ 3.91Å; I130-F258 HydrophobicContact CG2-CE1 4.38Å; I130-F258 HydrophobicContact CG2-CZ 4.01Å; I130-F258 WeakPolarHBondContact O-CE2 3.42Å; T165-F258 HydrophobicContact CG2-CE1 4.16Å; T165-F258 VanDerWaalsContact O-CE1 3.27Å; T165-F258 WeakPolarHBondContact O-CE1 3.42Å; F258-P260 WeakPolarHBondContact O-CD 3.34Å
259	R	85.1	Confident	80.5	Confident	167 Å²	167	75.9 Å²	75.9	63%	0.63	42%	0.419	S	S	*	.	S	Bend	trans	-71.3	121.7	175.5	-68.5	-173.8	-177.6	160.1	10.7	109.4	N218 D256	N218-R259 WeakPolarHBondContact CA-O 3.43Å; N218-R259 WeakPolarHBondContact CB-O 3.39Å; D256-R259 VanDerWaalsContact OD2-CD 3.24Å; D256-R259 WeakPolarHBondContact OD2-CD 3.36Å; D256-R259 IonicContact OD2-CZ 2.94Å; D256-R259 IonicContact OD2-NE 3.59Å; D256-R259 PolarHBondContact OD2-NE 3.18Å; D256-R259 IonicContact OD2-NH1 3.04Å; D256-R259 IonicContact OD2-NH2 3.4Å; D256-R259 PolarHBondContact OD2-NH2 2.74Å
260	P	81.9	Confident	80.6	Confident	93 Å²	93	80.8 Å²	80.8	60%	0.604	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.2	137.1	175.1	25.4	-31.4	0	0	0	110.8	Q217 F258	Q217-P260 WeakPolarHBondContact O-CA 3.42Å; F258-P260 WeakPolarHBondContact O-CD 3.34Å
261	A	79.6	Confident	80.6	Confident	34 Å²	34	81 Å²	81	28%	0.281	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-80.1	137	166.2	0	0	0	0	0	111.5	Q217 N218 Q263 V264	Q217-A261 PolarHBondContact O-N 3.32Å; N218-A261 WeakPolarHBondContact O-CB 3.45Å; A261-Q263 PolarHBondContact O-N 3.26Å; A261-V264 HydrophobicContact CB-CG2 3.99Å
262	D	64.3	Low	80.9	Confident	169 Å²	169	79.7 Å²	79.7	90%	0.904	44%	0.436	S	S	*	.	S	Bend	trans	-67	-24.3	176.9	-67.9	-31.4	0	0	0	112.8
263	Q	58.1	Low	81.1	Confident	185 Å²	185	81.2 Å²	81.2	86%	0.864	45%	0.447	S	S	*	.			trans	-139.4	101.2	-178.6	-65.3	-178.9	23.5	0	0	110.8	A261	A261-Q263 PolarHBondContact O-N 3.26Å
264	V	61.3	Low	81.6	Confident	29 Å²	29	80.6 Å²	80.6	18%	0.176	43%	0.426	C	S	.	.			trans	-102.8	124.3	167.8	-175.1	0	0	0	0	107.7	H215 A261 R266	H215-V264 HydrophobicContact CB-CG1 4.01Å; A261-V264 HydrophobicContact CB-CG2 3.99Å; V264-R266 VanDerWaalsContact C-N 3.28Å; V264-R266 HydrophobicContact CB-CG 4.26Å; V264-R266 HydrophobicContact CG1-CG 4.12Å; V264-R266 PolarHBondContact O-N 3.4Å
265	C	57.7	Low	81.9	Confident	102 Å²	102	77.1 Å²	77.1	69%	0.689	41%	0.408	S	S	*	.			trans	-68.7	88.4	172.6	-168.5	0	0	0	0	108.8	H215	H215-C265 PolarHBondContact NE2-O 3.19Å
266	R	71.6	Confident	82.4	Confident	143 Å²	143	76.1 Å²	76.1	54%	0.54	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-85.1	146.7	-179.7	-68.4	-178.5	179.4	140.3	4.1	110.2	V264 S268	V264-R266 VanDerWaalsContact C-N 3.28Å; V264-R266 HydrophobicContact CB-CG 4.26Å; V264-R266 HydrophobicContact CG1-CG 4.12Å; V264-R266 PolarHBondContact O-N 3.4Å; R266-S268 PolarHBondContact O-N 2.79Å
267	S	80.8	Confident	82.8	Confident	7 Å²	7	80.4 Å²	80.4	5%	0.049	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-53.5	137.8	168.8	-67.4	0	0	0	0	110.5	F181 V184 P186	F181-S267 WeakPolarHBondContact O-CB 3.49Å; F181-S267 PolarHBondContact O-OG 3.1Å; V184-S267 PolarHBondContact O-OG 3.13Å; P186-S267 WeakPolarHBondContact CD-OG 3.4Å
268	S	83.6	Confident	82.9	Confident	49 Å²	49	87.2 Å²	87.2	34%	0.343	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-65.2	151.2	-179.6	67.4	0	0	0	0	110.6	R266 Q270 E271 I272	R266-S268 PolarHBondContact O-N 2.79Å; S268-Q270 PolarHBondContact O-N 3.19Å; S268-Q270 VanDerWaalsContact O-N 3.12Å; S268-E271 WeakPolarHBondContact CB-OE2 3.34Å; S268-E271 PolarHBondContact N-OE2 2.98Å; S268-E271 PolarHBondContact O-N 3.34Å; S268-E271 VanDerWaalsContact O-N 3.08Å; S268-E271 WeakPolarHBondContact OG-CB 3.47Å; S268-E271 WeakPolarHBondContact OG-CG 3.37Å; S268-E271 PolarHBondContact OG-N 3.17Å; S268-E271 PolarHBondContact OG-OE2 3.48Å; S268-I272 WeakPolarHBondContact O-CG1 3.18Å; S268-I272 PolarHBondContact O-N 3.17Å
269	V	88.5	Confident	83.2	Confident	126 Å²	126	85.5 Å²	85.5	76%	0.764	43%	0.434	S	S	*	.	H	α-helix	trans	-55.8	-32.9	177.8	-179.6	0	0	0	0	111.5	S273	V269-S273 WeakPolarHBondContact O-CB 2.88Å; V269-S273 PolarHBondContact O-N 3.49Å
270	Q	89.9	Confident	83.6	Confident	157 Å²	157	81.3 Å²	81.3	73%	0.734	42%	0.424	S	S	*	.	H	α-helix	trans	-68.4	-46.6	176.9	-68.1	179.9	-7.3	0	0	111.9	S268 I272 S273 V274	S268-Q270 PolarHBondContact O-N 3.19Å; S268-Q270 VanDerWaalsContact O-N 3.12Å; Q270-I272 VanDerWaalsContact C-N 3.35Å; Q270-I272 PolarHBondContact O-N 3.12Å; Q270-S273 PolarHBondContact O-N 3.1Å; Q270-V274 VanDerWaalsContact O-CG2 3.28Å; Q270-V274 WeakPolarHBondContact O-CG2 3.47Å; Q270-V274 PolarHBondContact O-N 3.5Å
271	E	89.9	Confident	84.1	Confident	81 Å²	81	82.9 Å²	82.9	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-43.1	177.2	-72.8	162.6	150.9	0	0	111.7	P186 S268 V274 A275	P186-E271 WeakPolarHBondContact CG-OE2 3.31Å; S268-E271 WeakPolarHBondContact CB-OE2 3.34Å; S268-E271 PolarHBondContact N-OE2 2.98Å; S268-E271 PolarHBondContact O-N 3.34Å; S268-E271 VanDerWaalsContact O-N 3.08Å; S268-E271 WeakPolarHBondContact OG-CB 3.47Å; S268-E271 WeakPolarHBondContact OG-CG 3.37Å; S268-E271 PolarHBondContact OG-N 3.17Å; S268-E271 PolarHBondContact OG-OE2 3.48Å; E271-V274 PolarHBondContact O-N 2.69Å; E271-A275 WeakPolarHBondContact O-CB 3.26Å; E271-A275 PolarHBondContact O-N 2.84Å
272	I	91.9	Very high	84.6	Confident	21 Å²	21	82.2 Å²	82.2	11%	0.108	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-48.1	176.1	-63.4	168.5	0	0	0	110	F181 S268 Q270 V274 A275 Q276	F181-I272 HydrophobicContact CB-CG1 4.12Å; F181-I272 HydrophobicContact CB-CG2 4.44Å; S268-I272 WeakPolarHBondContact O-CG1 3.18Å; S268-I272 PolarHBondContact O-N 3.17Å; Q270-I272 VanDerWaalsContact C-N 3.35Å; Q270-I272 PolarHBondContact O-N 3.12Å; I272-V274 VanDerWaalsContact C-N 3.34Å; I272-V274 PolarHBondContact O-N 3.26Å; I272-A275 PolarHBondContact O-N 2.79Å; I272-Q276 HydrophobicContact CG2-CG 4.32Å; I272-Q276 WeakPolarHBondContact O-CB 3.36Å; I272-Q276 WeakPolarHBondContact O-CG 3.32Å; I272-Q276 PolarHBondContact O-N 3.26Å
273	S	94	Very high	85.8	Confident	42 Å²	42	74.3 Å²	74.3	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-41.7	178.4	-176.7	0	0	0	0	112.4	V269 Q270 K277	V269-S273 WeakPolarHBondContact O-CB 2.88Å; V269-S273 PolarHBondContact O-N 3.49Å; Q270-S273 PolarHBondContact O-N 3.1Å; S273-K277 WeakPolarHBondContact O-CB 3.27Å; S273-K277 VanDerWaalsContact O-CG 3.26Å; S273-K277 WeakPolarHBondContact O-CG 3.4Å; S273-K277 PolarHBondContact O-N 2.89Å
274	V	94.4	Very high	87.2	Confident	71 Å²	71	67.2 Å²	67.2	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.8	171.4	0	0	0	0	110.7	Q270 E271 I272 K277 R278	Q270-V274 VanDerWaalsContact O-CG2 3.28Å; Q270-V274 WeakPolarHBondContact O-CG2 3.47Å; Q270-V274 PolarHBondContact O-N 3.5Å; E271-V274 PolarHBondContact O-N 2.69Å; I272-V274 VanDerWaalsContact C-N 3.34Å; I272-V274 PolarHBondContact O-N 3.26Å; V274-K277 PolarHBondContact O-N 2.98Å; V274-R278 WeakPolarHBondContact O-CG 3.35Å; V274-R278 PolarHBondContact O-N 3.33Å
275	A	94.2	Very high	88.2	Confident	3 Å²	3	70.4 Å²	70.4	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-47.4	177.5	0	0	0	0	0	112.2	F181 I189 I193 E271 I272 K277 R278 L279	F181-A275 HydrophobicContact CD1-CB 4.38Å; F181-A275 HydrophobicContact CD2-CB 3.8Å; F181-A275 HydrophobicContact CE1-CB 4.29Å; F181-A275 HydrophobicContact CE2-CB 3.69Å; F181-A275 HydrophobicContact CG-CB 4.14Å; F181-A275 HydrophobicContact CZ-CB 3.93Å; I189-A275 HydrophobicContact CG2-CB 3.65Å; I193-A275 HydrophobicContact CD1-CB 4.08Å; E271-A275 WeakPolarHBondContact O-CB 3.26Å; E271-A275 PolarHBondContact O-N 2.84Å; I272-A275 PolarHBondContact O-N 2.79Å; A275-K277 PolarHBondContact O-N 3.13Å; A275-R278 WeakPolarHBondContact O-CB 3.36Å; A275-R278 PolarHBondContact O-N 3.27Å; A275-L279 PolarHBondContact O-N 2.84Å
276	Q	95.6	Very high	89	Confident	34 Å²	34	66.9 Å²	66.9	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-43	177.1	-72	178.5	-41	0	0	112	Q154 D156 F181 I272 R278 L279 L280	Q154-Q276 HydrophobicContact CB-CB 4.38Å; Q154-Q276 HydrophobicContact CB-CG 4.18Å; Q154-Q276 WeakPolarHBondContact O-CG 3.37Å; D156-Q276 PolarHBondContact OD1-NE2 2.86Å; F181-Q276 HydrophobicContact CD2-CG 4.37Å; F181-Q276 HydrophobicContact CE2-CG 4.49Å; I272-Q276 HydrophobicContact CG2-CG 4.32Å; I272-Q276 WeakPolarHBondContact O-CB 3.36Å; I272-Q276 WeakPolarHBondContact O-CG 3.32Å; I272-Q276 PolarHBondContact O-N 3.26Å; Q276-R278 VanDerWaalsContact C-N 3.34Å; Q276-R278 PolarHBondContact O-N 3.42Å; Q276-L279 PolarHBondContact O-N 2.97Å; Q276-L280 WeakPolarHBondContact O-CG 3.48Å; Q276-L280 PolarHBondContact O-N 3Å
277	K	94.6	Very high	89.2	Confident	139 Å²	139	61.3 Å²	61.3	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-40.7	175.1	-75.5	173.3	-178.7	176.1	0	112.1	S273 V274 A275 L280 H281	S273-K277 WeakPolarHBondContact O-CB 3.27Å; S273-K277 VanDerWaalsContact O-CG 3.26Å; S273-K277 WeakPolarHBondContact O-CG 3.4Å; S273-K277 PolarHBondContact O-N 2.89Å; V274-K277 PolarHBondContact O-N 2.98Å; A275-K277 PolarHBondContact O-N 3.13Å; K277-L280 PolarHBondContact O-N 3.2Å; K277-H281 WeakPolarHBondContact O-CB 3.4Å; K277-H281 PolarHBondContact O-N 2.79Å
278	R	94.8	Very high	88.7	Confident	143 Å²	143	62.8 Å²	62.8	54%	0.54	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-43	175.7	-75.2	179.3	-179.6	-177.2	1.5	111.7	I193 V274 A275 Q276 H281 I282	I193-R278 HydrophobicContact CD1-CB 4.35Å; V274-R278 WeakPolarHBondContact O-CG 3.35Å; V274-R278 PolarHBondContact O-N 3.33Å; A275-R278 WeakPolarHBondContact O-CB 3.36Å; A275-R278 PolarHBondContact O-N 3.27Å; Q276-R278 VanDerWaalsContact C-N 3.34Å; Q276-R278 PolarHBondContact O-N 3.42Å; R278-H281 PolarHBondContact O-N 2.77Å; R278-I282 WeakPolarHBondContact O-CD1 3.16Å; R278-I282 VanDerWaalsContact O-CG1 3.28Å; R278-I282 WeakPolarHBondContact O-CG1 3.45Å; R278-I282 PolarHBondContact O-N 2.85Å
279	L	94.8	Very high	87.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-46	176.3	-72.6	-176	0	0	0	112.6	L155 F181 I193 Q196 A275 Q276 H281 I282 F283	L155-L279 HydrophobicContact CB-CD1 4.12Å; L155-L279 HydrophobicContact CD1-CD1 3.75Å; L155-L279 HydrophobicContact CG-CD1 3.66Å; F181-L279 HydrophobicContact CE2-CD1 3.69Å; F181-L279 HydrophobicContact CE2-CG 4.46Å; F181-L279 HydrophobicContact CZ-CD1 3.66Å; F181-L279 HydrophobicContact CZ-CG 4.26Å; I193-L279 HydrophobicContact CB-CD2 4.5Å; I193-L279 HydrophobicContact CG1-CD2 4.2Å; I193-L279 HydrophobicContact CG2-CD2 4.34Å; Q196-L279 HydrophobicContact CB-CD2 3.63Å; Q196-L279 HydrophobicContact CG-CD2 3.8Å; A275-L279 PolarHBondContact O-N 2.84Å; Q276-L279 PolarHBondContact O-N 2.97Å; L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 2.81Å; L279-I282 PolarHBondContact O-N 3.31Å; L279-I282 VanDerWaalsContact O-N 3.15Å; L279-F283 HydrophobicContact CB-CE2 4.46Å; L279-F283 WeakPolarHBondContact O-CD2 3.35Å; L279-F283 PolarHBondContact O-N 3.2Å
280	L	93.1	Very high	86.5	Confident	80 Å²	80	62 Å²	62	42%	0.419	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-40.6	176.2	-73.4	176.6	0	0	0	112	Q154 Q276 K277 G284	Q154-L280 HydrophobicContact CG-CD1 3.99Å; Q154-L280 HydrophobicContact CG-CD2 3.7Å; Q154-L280 HydrophobicContact CG-CG 3.8Å; Q276-L280 WeakPolarHBondContact O-CG 3.48Å; Q276-L280 PolarHBondContact O-N 3Å; K277-L280 PolarHBondContact O-N 3.2Å; L280-G284 PolarHBondContact O-N 3.05Å
281	H	92.4	Very high	84.9	Confident	125 Å²	125	57.7 Å²	57.7	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-64.2	-43	175.5	179.6	-114.5	0	0	0	112.2	K277 R278 L279 G284 Q285	K277-H281 WeakPolarHBondContact O-CB 3.4Å; K277-H281 PolarHBondContact O-N 2.79Å; R278-H281 PolarHBondContact O-N 2.77Å; L279-H281 VanDerWaalsContact C-N 3.27Å; L279-H281 PolarHBondContact O-N 2.81Å; H281-G284 PolarHBondContact O-N 3.14Å; H281-Q285 PolarHBondContact CE1-NE2 3.17Å; H281-Q285 PolarHBondContact ND1-NE2 3.29Å; H281-Q285 VanDerWaalsContact ND1-NE2 3.17Å; H281-Q285 PolarHBondContact NE2-NE2 2.82Å; H281-Q285 WeakPolarHBondContact O-CG 3.29Å; H281-Q285 PolarHBondContact O-N 3.38Å; H281-Q285 VanDerWaalsContact O-N 3.09Å
282	I	91.2	Very high	83	Confident	20 Å²	20	59 Å²	59	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-50.2	176	-71.4	161	0	0	0	110.7	I193 Q197 R278 L279 G284 Q285 V286	I193-I282 HydrophobicContact CG2-CD1 3.52Å; Q197-I282 HydrophobicContact CB-CD1 4.27Å; Q197-I282 HydrophobicContact CB-CG2 4.02Å; Q197-I282 HydrophobicContact CG-CG2 4.04Å; R278-I282 WeakPolarHBondContact O-CD1 3.16Å; R278-I282 VanDerWaalsContact O-CG1 3.28Å; R278-I282 WeakPolarHBondContact O-CG1 3.45Å; R278-I282 PolarHBondContact O-N 2.85Å; L279-I282 PolarHBondContact O-N 3.31Å; L279-I282 VanDerWaalsContact O-N 3.15Å; I282-G284 VanDerWaalsContact C-N 3.34Å; I282-G284 PolarHBondContact O-N 3.49Å; I282-Q285 PolarHBondContact O-N 3.31Å; I282-V286 WeakPolarHBondContact O-CG2 3.5Å; I282-V286 PolarHBondContact O-N 3.01Å
283	F	90.3	Very high	81.1	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-33.3	-179.8	-65.9	-36	0	0	0	112.3	P153 Q196 A200 V230 V239 V242 L279 Q285 V286 N287	P153-F283 HydrophobicContact CB-CD2 3.71Å; P153-F283 HydrophobicContact CB-CE2 4.08Å; P153-F283 VanDerWaalsContact O-CD2 3.31Å; P153-F283 WeakPolarHBondContact O-CD2 3.16Å; P153-F283 WeakPolarHBondContact O-CE2 3.34Å; Q196-F283 HydrophobicContact CB-CZ 4.26Å; A200-F283 HydrophobicContact CB-CD1 3.75Å; A200-F283 HydrophobicContact CB-CE1 3.66Å; V230-F283 HydrophobicContact CG1-CE1 4.41Å; V230-F283 HydrophobicContact CG2-CE1 4.03Å; V230-F283 HydrophobicContact CG2-CZ 4.28Å; V239-F283 HydrophobicContact CB-CB 4.44Å; V239-F283 HydrophobicContact CB-CG 4.34Å; V239-F283 HydrophobicContact CG1-CD2 4.39Å; V239-F283 HydrophobicContact CG1-CE2 4.42Å; V239-F283 HydrophobicContact CG1-CG 4.49Å; V239-F283 HydrophobicContact CG2-CB 3.92Å; V239-F283 HydrophobicContact CG2-CD1 3.8Å; V239-F283 HydrophobicContact CG2-CE1 4.42Å; V239-F283 HydrophobicContact CG2-CG 3.86Å; V242-F283 HydrophobicContact CG2-CE2 4.12Å; V242-F283 HydrophobicContact CG2-CZ 3.9Å; L279-F283 HydrophobicContact CB-CE2 4.46Å; L279-F283 WeakPolarHBondContact O-CD2 3.35Å; L279-F283 PolarHBondContact O-N 3.2Å; F283-Q285 PolarHBondContact O-N 3.48Å; F283-V286 PolarHBondContact O-N 3.23Å; F283-N287 PolarHBondContact O-N 3.05Å; F283-N287 PolarHBondContact O-ND2 2.95Å; F283-N287 PolarHBondContact O-OD1 3.5Å
284	G	86.3	Confident	78.9	Confident	36 Å²	36	66 Å²	66	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-41.7	172.1	0	0	0	0	0	113.2	L280 H281 I282 N287 A288	L280-G284 PolarHBondContact O-N 3.05Å; H281-G284 PolarHBondContact O-N 3.14Å; I282-G284 VanDerWaalsContact C-N 3.34Å; I282-G284 PolarHBondContact O-N 3.49Å; G284-N287 PolarHBondContact O-N 3.43Å; G284-A288 PolarHBondContact O-N 3.07Å; G284-A288 VanDerWaalsContact O-N 3.08Å
285	Q	83	Confident	76.7	Confident	95 Å²	95	65 Å²	65	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175	-72.4	176.5	44.5	0	0	112.7	H281 I282 F283 N287 A288 N289	H281-Q285 PolarHBondContact CE1-NE2 3.17Å; H281-Q285 PolarHBondContact ND1-NE2 3.29Å; H281-Q285 VanDerWaalsContact ND1-NE2 3.17Å; H281-Q285 PolarHBondContact NE2-NE2 2.82Å; H281-Q285 WeakPolarHBondContact O-CG 3.29Å; H281-Q285 PolarHBondContact O-N 3.38Å; H281-Q285 VanDerWaalsContact O-N 3.09Å; I282-Q285 PolarHBondContact O-N 3.31Å; F283-Q285 PolarHBondContact O-N 3.48Å; Q285-N287 VanDerWaalsContact C-N 3.34Å; Q285-A288 PolarHBondContact O-N 3.08Å; Q285-N289 WeakPolarHBondContact O-CB 3.31Å; Q285-N289 VanDerWaalsContact O-CG 3.3Å; Q285-N289 PolarHBondContact O-N 2.88Å; Q285-N289 PolarHBondContact O-ND2 3.42Å
286	V	75.2	Confident	74.4	Confident	28 Å²	28	68.3 Å²	68.3	17%	0.17	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-41.8	178.1	172.6	0	0	0	0	110.4	A200 I282 F283 N289 F290	A200-V286 HydrophobicContact CB-CB 4.44Å; A200-V286 HydrophobicContact CB-CG1 4.36Å; A200-V286 HydrophobicContact CB-CG2 3.64Å; I282-V286 WeakPolarHBondContact O-CG2 3.5Å; I282-V286 PolarHBondContact O-N 3.01Å; F283-V286 PolarHBondContact O-N 3.23Å; V286-N289 PolarHBondContact O-N 3.24Å; V286-F290 PolarHBondContact O-N 3.28Å; V286-F290 VanDerWaalsContact O-N 3.12Å
287	N	73.9	Confident	72.1	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.139	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-47.2	175	-60.8	-12.6	0	0	0	111.2	F283 G284 Q285 N289 F290 E291	F283-N287 PolarHBondContact O-N 3.05Å; F283-N287 PolarHBondContact O-ND2 2.95Å; F283-N287 PolarHBondContact O-OD1 3.5Å; G284-N287 PolarHBondContact O-N 3.43Å; Q285-N287 VanDerWaalsContact C-N 3.34Å; N287-N289 VanDerWaalsContact C-N 3.34Å; N287-N289 PolarHBondContact O-N 3.11Å; N287-F290 WeakPolarHBondContact O-CB 3.34Å; N287-F290 PolarHBondContact O-N 3Å; N287-F290 VanDerWaalsContact O-N 3.11Å; N287-E291 WeakPolarHBondContact O-CG 3.37Å; N287-E291 PolarHBondContact O-N 3.48Å; N287-E291 VanDerWaalsContact O-N 3.09Å
288	A	70.9	Confident	69.7	Low	39 Å²	39	69.2 Å²	69.2	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-38.7	177.9	0	0	0	0	0	112.9	G284 Q285 F290 E291 L292	G284-A288 PolarHBondContact O-N 3.07Å; G284-A288 VanDerWaalsContact O-N 3.08Å; Q285-A288 PolarHBondContact O-N 3.08Å; A288-F290 VanDerWaalsContact C-N 3.28Å; A288-F290 PolarHBondContact O-N 2.85Å; A288-E291 PolarHBondContact O-N 3.44Å; A288-L292 WeakPolarHBondContact O-CG 3.26Å; A288-L292 PolarHBondContact O-N 3.01Å
289	N	64.3	Low	67.2	Low	89 Å²	89	64.7 Å²	64.7	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-31.8	176.2	-76	-32.7	0	0	0	112.6	Q285 V286 N287 K293	Q285-N289 WeakPolarHBondContact O-CB 3.31Å; Q285-N289 VanDerWaalsContact O-CG 3.3Å; Q285-N289 PolarHBondContact O-N 2.88Å; Q285-N289 PolarHBondContact O-ND2 3.42Å; V286-N289 PolarHBondContact O-N 3.24Å; N287-N289 VanDerWaalsContact C-N 3.34Å; N287-N289 PolarHBondContact O-N 3.11Å; N289-K293 WeakPolarHBondContact O-CG 3.26Å; N289-K293 PolarHBondContact O-N 2.86Å
290	F	62.3	Low	65	Low	70 Å²	70	71.8 Å²	71.8	31%	0.307	39%	0.389	S	S	.	.	H	α-helix	trans	-72	-41.2	176.4	-157.2	-89.5	0	0	0	111.4	C237 V286 N287 A288 K293 A294 L450	C237-F290 HydrophobicContact CB-CD1 3.49Å; C237-F290 VanDerWaalsContact CB-CD1 3.49Å; C237-F290 HydrophobicContact CB-CE1 3.62Å; C237-F290 HydrophobicContact CB-CG 4.12Å; C237-F290 HydrophobicContact CB-CZ 4.31Å; C237-F290 WeakPolarHBondContact SG-CE1 3.39Å; V286-F290 PolarHBondContact O-N 3.28Å; V286-F290 VanDerWaalsContact O-N 3.12Å; N287-F290 WeakPolarHBondContact O-CB 3.34Å; N287-F290 PolarHBondContact O-N 3Å; N287-F290 VanDerWaalsContact O-N 3.11Å; A288-F290 VanDerWaalsContact C-N 3.28Å; A288-F290 PolarHBondContact O-N 2.85Å; F290-K293 PolarHBondContact O-N 3.12Å; F290-A294 PolarHBondContact O-N 2.77Å; F290-L450 HydrophobicContact CE2-CD1 3.45Å; F290-L450 VanDerWaalsContact CE2-CD1 3.45Å; F290-L450 HydrophobicContact CZ-CD1 3.4Å
291	E	55.8	Low	62.9	Low	65 Å²	65	74.2 Å²	74.2	30%	0.304	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-40.3	174	-68.2	167.6	171.5	0	0	112.8	N287 A288 A294 T295 Q327	N287-E291 WeakPolarHBondContact O-CG 3.37Å; N287-E291 PolarHBondContact O-N 3.48Å; N287-E291 VanDerWaalsContact O-N 3.09Å; A288-E291 PolarHBondContact O-N 3.44Å; E291-A294 PolarHBondContact O-N 2.97Å; E291-T295 WeakPolarHBondContact O-CB 3.4Å; E291-T295 WeakPolarHBondContact O-CG2 3.48Å; E291-T295 PolarHBondContact O-N 3.48Å; E291-T295 PolarHBondContact O-OG1 2.64Å; E291-Q327 PolarHBondContact OE1-NE2 3.32Å; E291-Q327 PolarHBondContact OE1-OE1 3.19Å; E291-Q327 VanDerWaalsContact OE1-OE1 3.12Å; E291-Q327 PolarHBondContact OE2-NE2 3.5Å
292	L	49.9	Very low	60.7	Low	109 Å²	109	74.7 Å²	74.7	57%	0.571	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-36.2	175.6	-73.7	171.1	0	0	0	112.9	A288 T295 S296	A288-L292 WeakPolarHBondContact O-CG 3.26Å; A288-L292 PolarHBondContact O-N 3.01Å; L292-T295 WeakPolarHBondContact CA-OG1 3.36Å; L292-T295 PolarHBondContact O-N 3.25Å; L292-T295 PolarHBondContact O-OG1 3.41Å; L292-S296 VanDerWaalsContact O-CB 3.29Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 2.82Å
293	K	52.4	Low	58.6	Low	156 Å²	156	80.4 Å²	80.4	68%	0.678	43%	0.428	S	S	*	.	H	α-helix	trans	-70.3	-41.1	175.1	-75	175.6	-178.4	179.1	0	112	N289 F290 T295 S297	N289-K293 WeakPolarHBondContact O-CG 3.26Å; N289-K293 PolarHBondContact O-N 2.86Å; F290-K293 PolarHBondContact O-N 3.12Å; K293-T295 VanDerWaalsContact C-N 3.28Å; K293-T295 PolarHBondContact O-N 2.85Å; K293-S297 PolarHBondContact O-N 3.48Å
294	A	47.1	Very low	56.5	Low	54 Å²	54	83.8 Å²	83.8	45%	0.446	46%	0.457	S	S	.	.	H	α-helix	trans	-60.5	-42.6	173.8	0	0	0	0	0	110.4	F290 E291 S297	F290-A294 PolarHBondContact O-N 2.77Å; E291-A294 PolarHBondContact O-N 2.97Å; A294-S297 PolarHBondContact O-N 3.08Å; A294-S297 PolarHBondContact O-OG 2.67Å
295	T	47.8	Very low	54.5	Low	50 Å²	50	86.9 Å²	86.9	31%	0.307	47%	0.473	S	S	.	.	H	α-helix	trans	-71.5	-43	-178	44	0	0	0	0	114.7	E291 L292 K293 S297 Y298 A299	E291-T295 WeakPolarHBondContact O-CB 3.4Å; E291-T295 WeakPolarHBondContact O-CG2 3.48Å; E291-T295 PolarHBondContact O-N 3.48Å; E291-T295 PolarHBondContact O-OG1 2.64Å; L292-T295 WeakPolarHBondContact CA-OG1 3.36Å; L292-T295 PolarHBondContact O-N 3.25Å; L292-T295 PolarHBondContact O-OG1 3.41Å; K293-T295 VanDerWaalsContact C-N 3.28Å; K293-T295 PolarHBondContact O-N 2.85Å; T295-S297 PolarHBondContact O-N 3.46Å; T295-Y298 WeakPolarHBondContact CB-OH 3.42Å; T295-Y298 HydrophobicContact CG2-CD1 4.31Å; T295-Y298 HydrophobicContact CG2-CE1 3.29Å; T295-Y298 WeakPolarHBondContact CG2-OH 3.45Å; T295-Y298 WeakPolarHBondContact O-CD1 3.41Å; T295-Y298 WeakPolarHBondContact O-CD2 3.29Å; T295-Y298 VanDerWaalsContact O-CE1 3.24Å; T295-Y298 WeakPolarHBondContact O-CE1 3.45Å; T295-Y298 WeakPolarHBondContact O-CE2 3.37Å; T295-Y298 PolarHBondContact O-N 2.84Å; T295-A299 PolarHBondContact O-N 2.88Å
296	S	47.4	Very low	52.6	Low	73 Å²	73	86.6 Å²	86.6	51%	0.51	48%	0.481	S	S	.	.	H	α-helix	trans	-58.6	-37.4	174.9	178.3	0	0	0	0	112.3	L292 Y298 A299 K300	L292-S296 VanDerWaalsContact O-CB 3.29Å; L292-S296 WeakPolarHBondContact O-CB 3.38Å; L292-S296 PolarHBondContact O-N 2.82Å; S296-Y298 PolarHBondContact O-N 2.73Å; S296-A299 PolarHBondContact O-N 2.86Å; S296-K300 WeakPolarHBondContact O-CB 3.27Å; S296-K300 PolarHBondContact O-N 2.92Å
297	S	45.8	Very low	50.8	Low	65 Å²	65	89.8 Å²	89.8	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-33.6	-178.3	77	0	0	0	0	113.8	K293 A294 T295 K301	K293-S297 PolarHBondContact O-N 3.48Å; A294-S297 PolarHBondContact O-N 3.08Å; A294-S297 PolarHBondContact O-OG 2.67Å; T295-S297 PolarHBondContact O-N 3.46Å; S297-K301 WeakPolarHBondContact O-CG 3.38Å; S297-K301 PolarHBondContact O-N 2.94Å
298	Y	44.8	Very low	49.1	Very low	127 Å²	127	94.7 Å²	94.7	50%	0.498	54%	0.536	S	S	.	.	H	α-helix	trans	-72.8	-39.2	173.9	70	-119.6	0	0	0	111.6	T295 S296 K300 K301 Q302	T295-Y298 WeakPolarHBondContact CB-OH 3.42Å; T295-Y298 HydrophobicContact CG2-CD1 4.31Å; T295-Y298 HydrophobicContact CG2-CE1 3.29Å; T295-Y298 WeakPolarHBondContact CG2-OH 3.45Å; T295-Y298 WeakPolarHBondContact O-CD1 3.41Å; T295-Y298 WeakPolarHBondContact O-CD2 3.29Å; T295-Y298 VanDerWaalsContact O-CE1 3.24Å; T295-Y298 WeakPolarHBondContact O-CE1 3.45Å; T295-Y298 WeakPolarHBondContact O-CE2 3.37Å; T295-Y298 PolarHBondContact O-N 2.84Å; S296-Y298 PolarHBondContact O-N 2.73Å; Y298-K300 VanDerWaalsContact C-N 3.34Å; Y298-K300 PolarHBondContact O-N 3.26Å; Y298-K301 PolarHBondContact O-N 3.43Å; Y298-Q302 PolarHBondContact O-N 2.86Å
299	A	43.1	Very low	47.4	Very low	48 Å²	48	98.1 Å²	98.1	40%	0.397	56%	0.555	S	S	.	*	H	α-helix	trans	-67.8	-40	-176.9	0	0	0	0	0	110.4	T295 S296 K301 Q302 L303	T295-A299 PolarHBondContact O-N 2.88Å; S296-A299 PolarHBondContact O-N 2.86Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.47Å; A299-Q302 PolarHBondContact O-N 3.46Å; A299-L303 PolarHBondContact O-N 2.8Å
300	K	48.5	Very low	46.2	Very low	149 Å²	149	101.4 Å²	101.4	65%	0.648	57%	0.573	S	S	*	*	H	α-helix	trans	-67.8	-31	177.1	-144.4	169.8	-171	174.6	0	112.9	S296 Y298 A304	S296-K300 WeakPolarHBondContact O-CB 3.27Å; S296-K300 PolarHBondContact O-N 2.92Å; Y298-K300 VanDerWaalsContact C-N 3.34Å; Y298-K300 PolarHBondContact O-N 3.26Å; K300-A304 VanDerWaalsContact O-CB 3.25Å; K300-A304 WeakPolarHBondContact O-CB 3.06Å; K300-A304 PolarHBondContact O-N 2.73Å
301	K	49.2	Very low	45	Very low	131 Å²	131	106.5 Å²	106.5	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-76.6	-32.8	174.9	-79.1	179.5	178	178.4	0	113.2	S297 Y298 A299 S305	S297-K301 WeakPolarHBondContact O-CG 3.38Å; S297-K301 PolarHBondContact O-N 2.94Å; Y298-K301 PolarHBondContact O-N 3.43Å; A299-K301 VanDerWaalsContact C-N 3.33Å; A299-K301 PolarHBondContact O-N 3.47Å; K301-S305 PolarHBondContact O-OG 3.29Å
302	Q	46.5	Very low	43.7	Very low	135 Å²	135	108.7 Å²	108.7	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-73.4	-34	173.6	-70.2	-153.3	-10	0	0	112.5	Y298 A299 S305	Y298-Q302 PolarHBondContact O-N 2.86Å; A299-Q302 PolarHBondContact O-N 3.46Å; Q302-S305 PolarHBondContact O-OG 2.78Å
303	L	45.8	Very low	42.9	Very low	140 Å²	140	108.9 Å²	108.9	73%	0.733	63%	0.626	S	S	*	*	H	α-helix	trans	-75.6	-25.7	176.3	-133.1	69.8	0	0	0	113.4	A299	A299-L303 PolarHBondContact O-N 2.8Å
304	A	45.5	Very low	42.1	Very low	75 Å²	75	110.2 Å²	110.2	62%	0.62	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-7.4	-179.9	0	0	0	0	0	114.7	K300	K300-A304 VanDerWaalsContact O-CB 3.25Å; K300-A304 WeakPolarHBondContact O-CB 3.06Å; K300-A304 PolarHBondContact O-N 2.73Å
305	S	46.1	Very low	41.1	Very low	100 Å²	100	116.3 Å²	116.3	70%	0.699	65%	0.654	S	S	*	*	S	Bend	trans	-106.4	3.1	-179.5	48.1	0	0	0	0	114.2	K301 Q302	K301-S305 PolarHBondContact O-OG 3.29Å; Q302-S305 PolarHBondContact O-OG 2.78Å
306	S	42.7	Very low	40.6	Very low	90 Å²	90	120.9 Å²	120.9	63%	0.629	68%	0.682	S	S	*	*	S	Bend	trans	-124.6	19.3	-178.3	78.8	0	0	0	0	115.1	T308	S306-T308 PolarHBondContact O-N 3.01Å
307	S	36.3	Very low	39.6	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	70%	0.699	S	S	*	*			trans	-98.1	89.3	-178.3	52.9	0	0	0	0	112.1
308	T	38.3	Very low	39	Very low	128 Å²	128	126.2 Å²	126.2	79%	0.785	71%	0.712	S	S	*	*			trans	-83.6	134.2	145.1	45.6	0	0	0	0	107.9	S306 D310	S306-T308 PolarHBondContact O-N 3.01Å; T308-D310 PolarHBondContact O-N 3.4Å
309	P	36.2	Very low	38.3	Very low	112 Å²	112	126.4 Å²	126.4	73%	0.727	73%	0.726	S	S	*	*			trans	-75.7	125.2	178.4	31.1	-28.6	0	0	0	108.5
310	D	38.5	Very low	37.8	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	74%	0.743	S	S	*	*			trans	178	137.2	136.1	-84.9	-27.8	0	0	0	112.8	T308	T308-D310 PolarHBondContact O-N 3.4Å
311	E	36.4	Very low	36.9	Very low	177 Å²	177	130 Å²	130	83%	0.827	76%	0.755	S	S	*	*			trans	76.4	125.5	163.3	-75.7	-130.9	114.5	0	0	123
312	P	29.4	Very low	36.2	Very low	110 Å²	110	128.6 Å²	128.6	71%	0.714	76%	0.761	S	S	*	*			trans	-96.1	130.3	172.6	35.6	-26.8	0	0	0	111.8
313	C	33.3	Very low	35.2	Very low	114 Å²	114	127.3 Å²	127.3	77%	0.77	77%	0.767	S	S	*	*			trans	-150.1	107.8	163.3	-88.8	0	0	0	0	112.9
314	H	34.9	Very low	34.8	Very low	184 Å²	184	126.5 Å²	126.5	85%	0.852	77%	0.77	S	S	*	*			trans	51.9	128.8	140	-72.5	-75.9	0	0	0	123.9
315	E	27.6	Very low	34.1	Very low	182 Å²	182	131.4 Å²	131.4	85%	0.85	78%	0.781	S	S	*	*			trans	-57	142.5	170.9	-58	175.4	146	0	0	113.9
316	T	36.2	Very low	33.5	Very low	145 Å²	145	131.8 Å²	131.8	89%	0.89	78%	0.781	S	S	*	*			trans	-155.2	130.4	139.8	-16.6	0	0	0	0	111.1
317	D	26.2	Very low	33.3	Very low	165 Å²	165	133.7 Å²	133.7	88%	0.882	78%	0.78	S	S	*	*			trans	-53	146.1	175.1	-83	-46.1	0	0	0	114.7
318	A	34	Very low	33.5	Very low	86 Å²	86	136.2 Å²	136.2	71%	0.711	79%	0.786	S	S	*	*				178	108.2	128.3	0	0	0	0	0	112.6
319	T	28.7	Very low	34.3	Very low	130 Å²	130	135.3 Å²	135.3	80%	0.798	78%	0.776	S	S	*	*			trans	38.1	120.7	131.7	59.6	0	0	0	0	120.5
320	V	34.5	Very low	34.5	Very low	126 Å²	126	136.7 Å²	136.7	76%	0.764	77%	0.771	S	S	*	*				170	112.1	106.8	161.3	0	0	0	0	107.9
321	V	29.1	Very low	35.2	Very low	147 Å²	147	133.3 Å²	133.3	89%	0.891	75%	0.753	S	S	*	*			trans	-81.5	124.5	172.5	167.4	0	0	0	0	108.3
322	S	33.3	Very low	36	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	73%	0.734	S	S	*	*			trans	-139.8	123.2	166	-58.5	0	0	0	0	108.1
323	S	27	Very low	37.3	Very low	108 Å²	108	126 Å²	126	76%	0.755	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-52.3	141.9	-173.9	174.7	0	0	0	0	114.4
324	P	36.1	Very low	38.4	Very low	123 Å²	123	124.9 Å²	124.9	80%	0.799	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-95.5	121.3	167.8	30.1	-19.5	0	0	0	111.8
325	E	30.8	Very low	39.6	Very low	178 Å²	178	120.5 Å²	120.5	83%	0.832	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-65.3	162	166.1	-78.8	-175.7	148.7	0	0	112.8
326	P	34.1	Very low	41	Very low	108 Å²	108	116.2 Å²	116.2	70%	0.701	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-81.6	126.9	-152.8	-7.1	24.3	0	0	0	116.1	D328	P326-D328 VanDerWaalsContact C-N 3.33Å; P326-D328 PolarHBondContact O-N 3.2Å
327	Q	38	Very low	41.8	Very low	130 Å²	130	115.2 Å²	115.2	61%	0.607	65%	0.653	S	S	*	*	S	Bend	trans	49.7	-5.5	134	-65.9	178	-2.6	0	0	124.1	E291 N329	E291-Q327 PolarHBondContact OE1-NE2 3.32Å; E291-Q327 PolarHBondContact OE1-OE1 3.19Å; E291-Q327 VanDerWaalsContact OE1-OE1 3.12Å; E291-Q327 PolarHBondContact OE2-NE2 3.5Å; Q327-N329 PolarHBondContact O-N 3.26Å
328	D	41.8	Very low	43	Very low	148 Å²	148	109.2 Å²	109.2	79%	0.791	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-6.8	175.9	-75.7	-27.8	0	0	0	113.8	P326	P326-D328 VanDerWaalsContact C-N 3.33Å; P326-D328 PolarHBondContact O-N 3.2Å
329	N	53.6	Low	43.9	Very low	110 Å²	110	106.3 Å²	106.3	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-92	-8.4	-169.7	-70.3	-11.8	0	0	0	116.2	Q327 E332 A333	Q327-N329 PolarHBondContact O-N 3.26Å; N329-E332 PolarHBondContact O-N 3.41Å; N329-A333 VanDerWaalsContact O-CB 3.27Å; N329-A333 WeakPolarHBondContact O-CB 3.33Å; N329-A333 PolarHBondContact O-N 3.3Å
330	F	42	Very low	45.3	Very low	140 Å²	140	103.5 Å²	103.5	61%	0.614	58%	0.582	S	S	*	*	H	α-helix	trans	-69.6	-42.8	-172.5	-174.9	-103.7	0	0	0	112.9	A333 L334	F330-A333 PolarHBondContact O-N 3.41Å; F330-L334 HydrophobicContact CD1-CD1 4.06Å; F330-L334 HydrophobicContact CE1-CD1 3.4Å; F330-L334 VanDerWaalsContact CE1-CD1 3.4Å; F330-L334 HydrophobicContact CE2-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD1 3.65Å; F330-L334 PolarHBondContact O-N 3.29Å; F330-L334 VanDerWaalsContact O-N 3.08Å
331	L	51.8	Low	46	Very low	88 Å²	88	107.7 Å²	107.7	46%	0.461	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-39.9	177.1	-134.3	87.4	0	0	0	111.1	A333 L334 V335	L331-A333 VanDerWaalsContact C-N 3.35Å; L331-L334 PolarHBondContact O-N 2.92Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.29Å; L331-V335 PolarHBondContact O-N 3.45Å
332	E	53.7	Low	47	Very low	92 Å²	92	105.9 Å²	105.9	43%	0.43	57%	0.565	S	S	.	*	H	α-helix	trans	-63.1	-41.5	177.5	-132	175.2	-160.6	0	0	110.8	N329 V335 E336 K475	N329-E332 PolarHBondContact O-N 3.41Å; E332-V335 PolarHBondContact O-N 3.29Å; E332-E336 VanDerWaalsContact O-CB 3.29Å; E332-E336 WeakPolarHBondContact O-CB 3.33Å; E332-E336 PolarHBondContact O-N 2.99Å; E332-K475 IonicContact OE1-NZ 3.82Å
333	A	56.3	Low	47.5	Very low	41 Å²	41	104.3 Å²	104.3	34%	0.339	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-35.7	175.7	0	0	0	0	0	113.4	N329 F330 L331 E336 Q337	N329-A333 VanDerWaalsContact O-CB 3.27Å; N329-A333 WeakPolarHBondContact O-CB 3.33Å; N329-A333 PolarHBondContact O-N 3.3Å; F330-A333 PolarHBondContact O-N 3.41Å; L331-A333 VanDerWaalsContact C-N 3.35Å; A333-E336 PolarHBondContact O-N 2.82Å; A333-Q337 WeakPolarHBondContact O-CB 3.41Å; A333-Q337 WeakPolarHBondContact O-CG 3.47Å; A333-Q337 PolarHBondContact O-N 3.08Å
334	L	56.4	Low	48.2	Very low	91 Å²	91	103.3 Å²	103.3	48%	0.476	55%	0.55	S	S	.	.	H	α-helix	trans	-69.7	-42.1	176.2	-117.1	150.4	0	0	0	111.6	F330 L331 Q337 A338	F330-L334 HydrophobicContact CD1-CD1 4.06Å; F330-L334 HydrophobicContact CE1-CD1 3.4Å; F330-L334 VanDerWaalsContact CE1-CD1 3.4Å; F330-L334 HydrophobicContact CE2-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD1 3.65Å; F330-L334 PolarHBondContact O-N 3.29Å; F330-L334 VanDerWaalsContact O-N 3.08Å; L331-L334 PolarHBondContact O-N 2.92Å; L334-Q337 PolarHBondContact O-N 3.44Å; L334-A338 PolarHBondContact O-N 3.43Å
335	V	60.1	Low	48.5	Very low	92 Å²	92	99.3 Å²	99.3	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-40.5	173.4	173.5	0	0	0	0	110.7	L331 E332 A338 A339	L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.29Å; L331-V335 PolarHBondContact O-N 3.45Å; E332-V335 PolarHBondContact O-N 3.29Å; V335-A338 PolarHBondContact O-N 3.21Å; V335-A339 WeakPolarHBondContact O-CB 3.35Å; V335-A339 PolarHBondContact O-N 3.05Å
336	E	57.7	Low	49	Very low	91 Å²	91	95.3 Å²	95.3	43%	0.425	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-46.2	174.8	-173.9	-176.4	177.1	0	0	111.4	E332 A333 A338 A339 I340	E332-E336 VanDerWaalsContact O-CB 3.29Å; E332-E336 WeakPolarHBondContact O-CB 3.33Å; E332-E336 PolarHBondContact O-N 2.99Å; A333-E336 PolarHBondContact O-N 2.82Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 3.37Å; E336-A339 PolarHBondContact O-N 3.36Å; E336-I340 HydrophobicContact CG-CD1 3.89Å; E336-I340 VanDerWaalsContact O-CG1 3.27Å; E336-I340 WeakPolarHBondContact O-CG1 3.44Å; E336-I340 PolarHBondContact O-N 3.02Å
337	Q	53	Low	49.1	Very low	124 Å²	124	98.2 Å²	98.2	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-41	176.2	-80.4	-175.3	6	0	0	112.3	A333 L334 I340 R341	A333-Q337 WeakPolarHBondContact O-CB 3.41Å; A333-Q337 WeakPolarHBondContact O-CG 3.47Å; A333-Q337 PolarHBondContact O-N 3.08Å; L334-Q337 PolarHBondContact O-N 3.44Å; Q337-I340 PolarHBondContact O-N 2.82Å; Q337-R341 VanDerWaalsContact O-CB 3.31Å; Q337-R341 WeakPolarHBondContact O-CB 3.31Å; Q337-R341 PolarHBondContact O-N 2.82Å
338	A	51.3	Low	49.2	Very low	39 Å²	39	97 Å²	97	32%	0.322	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-44	174.8	0	0	0	0	0	111.6	L334 V335 E336 I340 R341 E342	L334-A338 PolarHBondContact O-N 3.43Å; V335-A338 PolarHBondContact O-N 3.21Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 3.37Å; A338-I340 PolarHBondContact O-N 2.87Å; A338-R341 PolarHBondContact O-N 3.13Å; A338-E342 WeakPolarHBondContact O-CG 3.21Å; A338-E342 PolarHBondContact O-N 3.31Å
339	A	53.7	Low	48.8	Very low	26 Å²	26	99.4 Å²	99.4	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-64.6	-37.3	178	0	0	0	0	0	112.9	V335 E336 G343 M344	V335-A339 WeakPolarHBondContact O-CB 3.35Å; V335-A339 PolarHBondContact O-N 3.05Å; E336-A339 PolarHBondContact O-N 3.36Å; A339-G343 PolarHBondContact O-N 3.23Å; A339-M344 HydrophobicContact CB-CB 4.41Å; A339-M344 WeakPolarHBondContact O-CB 3.31Å; A339-M344 PolarHBondContact O-N 2.88Å
340	I	56.6	Low	47.8	Very low	70 Å²	70	101.9 Å²	101.9	36%	0.359	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-42.1	174.9	-67.7	166.9	0	0	0	110.5	E336 Q337 A338 E342 G343	E336-I340 HydrophobicContact CG-CD1 3.89Å; E336-I340 VanDerWaalsContact O-CG1 3.27Å; E336-I340 WeakPolarHBondContact O-CG1 3.44Å; E336-I340 PolarHBondContact O-N 3.02Å; Q337-I340 PolarHBondContact O-N 2.82Å; A338-I340 PolarHBondContact O-N 2.87Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.89Å; I340-G343 PolarHBondContact O-N 3.43Å; I340-G343 VanDerWaalsContact O-N 3.16Å
341	R	49.4	Very low	47.5	Very low	215 Å²	215	103.7 Å²	103.7	81%	0.811	51%	0.512	S	S	*	.	H	α-helix	trans	-67.1	-33.5	-178.1	-162.7	176.5	-170.3	-110.2	3.8	112.8	Q337 A338 G343	Q337-R341 VanDerWaalsContact O-CB 3.31Å; Q337-R341 WeakPolarHBondContact O-CB 3.31Å; Q337-R341 PolarHBondContact O-N 2.82Å; A338-R341 PolarHBondContact O-N 3.13Å; R341-G343 VanDerWaalsContact C-N 3.26Å; R341-G343 PolarHBondContact O-N 3.01Å
342	E	50.8	Low	46.5	Very low	108 Å²	108	106.6 Å²	106.6	51%	0.505	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	9.9	175.7	-64.2	-63.9	144.9	0	0	113.1	A338 I340 M344 L384	A338-E342 WeakPolarHBondContact O-CG 3.21Å; A338-E342 PolarHBondContact O-N 3.31Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.89Å; E342-M344 HydrophobicContact CB-CG 4.27Å; E342-M344 PolarHBondContact O-N 2.85Å; E342-L384 HydrophobicContact CB-CD1 4.24Å; E342-L384 HydrophobicContact CG-CD1 3.88Å
343	G	42.5	Very low	45.7	Very low	68 Å²	68	106.4 Å²	106.4	70%	0.701	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	14.4	176.2	0	0	0	0	0	114.8	A339 I340 R341	A339-G343 PolarHBondContact O-N 3.23Å; I340-G343 PolarHBondContact O-N 3.43Å; I340-G343 VanDerWaalsContact O-N 3.16Å; R341-G343 VanDerWaalsContact C-N 3.26Å; R341-G343 PolarHBondContact O-N 3.01Å
344	M	42.2	Very low	44.8	Very low	88 Å²	88	114.2 Å²	114.2	43%	0.433	56%	0.562	S	S	.	*	S	Bend	trans	-80	-14.9	-175.2	-65.7	-165.7	148.9	0	0	113.8	A339 E342 N380 L384	A339-M344 HydrophobicContact CB-CB 4.41Å; A339-M344 WeakPolarHBondContact O-CB 3.31Å; A339-M344 PolarHBondContact O-N 2.88Å; E342-M344 HydrophobicContact CB-CG 4.27Å; E342-M344 PolarHBondContact O-N 2.85Å; M344-N380 HydrophobicContact CE-CB 4.06Å; M344-L384 HydrophobicContact CE-CB 4.44Å; M344-L384 HydrophobicContact CE-CD1 4.37Å; M344-L384 HydrophobicContact SD-CD1 4.05Å; M344-L384 HydrophobicContact SD-CD2 3.94Å; M344-L384 HydrophobicContact SD-CG 4.47Å
345	C	43.1	Very low	43.8	Very low	38 Å²	38	117.4 Å²	117.4	26%	0.257	57%	0.574	S	S	.	*			trans	-159.5	148.8	164.5	-146.6	0	0	0	0	114.3	W350	C345-W350 VanDerWaalsContact CB-NE1 3.31Å; C345-W350 PolarHBondContact SG-NE1 3.46Å
346	T	40.8	Very low	42.4	Very low	94 Å²	94	120.2 Å²	120.2	58%	0.577	59%	0.586	S	S	*	*			trans	-83.7	132.2	173.3	54.9	0	0	0	0	111.1	T348 R349	T346-T348 PolarHBondContact O-N 3.12Å; T346-R349 PolarHBondContact O-N 2.88Å; T346-R349 VanDerWaalsContact O-N 3.13Å
347	R	36.4	Very low	41.2	Very low	170 Å²	170	122.4 Å²	122.4	64%	0.642	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.6	-23.4	179.6	-173.6	173.9	174.3	172.6	-2.2	115
348	T	40.6	Very low	40.3	Very low	103 Å²	103	121.8 Å²	121.8	63%	0.632	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-23.3	-175.2	-19.5	0	0	0	0	114.3	T346 F352	T346-T348 PolarHBondContact O-N 3.12Å; T348-F352 WeakPolarHBondContact O-CD2 3.2Å
349	R	33.5	Very low	39.4	Very low	200 Å²	200	127.8 Å²	127.8	76%	0.755	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-22.8	-171.3	-155.5	170.1	-160.6	149	4.5	114.3	T346	T346-R349 PolarHBondContact O-N 2.88Å; T346-R349 VanDerWaalsContact O-N 3.13Å
350	W	33	Very low	38.6	Very low	162 Å²	162	132.4 Å²	132.4	61%	0.614	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-25.1	-171.3	-68.1	99.3	0	0	0	114.9	C345	C345-W350 VanDerWaalsContact CB-NE1 3.31Å; C345-W350 PolarHBondContact SG-NE1 3.46Å
351	R	33.9	Very low	37.4	Very low	178 Å²	178	132.9 Å²	132.9	67%	0.672	70%	0.696	S	S	*	*	S	Bend	trans	-79.9	-14.7	-179.1	-68.6	-168.5	-170.9	-173.3	-1.8	114.4
352	F	32.5	Very low	36.6	Very low	149 Å²	149	125.8 Å²	125.8	65%	0.654	69%	0.69	S	S	*	*	S	Bend	trans	-101.3	-4	-175.7	-72.5	-78.5	0	0	0	114.6	T348 K354 Q355	T348-F352 WeakPolarHBondContact O-CD2 3.2Å; F352-K354 PolarHBondContact O-N 2.82Å; F352-Q355 PolarHBondContact O-N 3.14Å
353	A	35.1	Very low	35.8	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-0.6	-179.4	0	0	0	0	0	114.7
354	K	38.3	Very low	35.4	Very low	205 Å²	205	132 Å²	132	89%	0.891	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	4.6	176	-80.1	-174.7	176.2	-180	0	114.2	F352	F352-K354 PolarHBondContact O-N 2.82Å
355	Q	34.9	Very low	35	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.734	73%	0.733	S	S	*	*	S	Bend	trans	-138.6	107.2	176.8	-69.1	-175	5.3	0	0	110.4	F352	F352-Q355 PolarHBondContact O-N 3.14Å
356	N	32.3	Very low	34.6	Very low	151 Å²	151	136.8 Å²	136.8	81%	0.807	76%	0.763	S	S	*	*			trans	38.6	116.6	161.7	-64.8	-19.3	0	0	0	119.2	S358	N356-S358 PolarHBondContact O-N 2.94Å
357	P	31.2	Very low	34.2	Very low	138 Å²	138	139.8 Å²	139.8	90%	0.896	78%	0.775	S	S	*	*			trans	-83.3	109.9	168.5	32	-26.5	0	0	0	110.2
358	S	34.5	Very low	34.2	Very low	110 Å²	110	137 Å²	137	77%	0.769	78%	0.781	S	S	*	*			trans	-120.4	99.1	167	51.9	0	0	0	0	110.5	N356	N356-S358 PolarHBondContact O-N 2.94Å
359	I	32.5	Very low	33.9	Very low	165 Å²	165	137.1 Å²	137.1	85%	0.846	78%	0.784	S	S	*	*			trans	22.7	140.1	143.9	-56.2	173.7	0	0	0	120.1
360	S	36.7	Very low	33.9	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	79%	0.787	S	S	*	*			trans	105.8	129.2	163.4	71.3	0	0	0	0	113.6
361	G	30.6	Very low	33.9	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	79%	0.794	S	S	*	*			cis	154.4	140.5	7.1	0	0	0	0	0	107.2
362	G	33.4	Very low	33.7	Very low	66 Å²	66	130.1 Å²	130.1	68%	0.68	80%	0.803	S	S	*	*			trans	116.4	87.5	175.9	0	0	0	0	0	113.5
363	E	33.2	Very low	33.7	Very low	188 Å²	188	127.7 Å²	127.7	88%	0.879	81%	0.805	S	S	*	*				63.6	110.3	87.4	-60.3	175.5	165.7	0	0	111.6
364	S	34.5	Very low	33.5	Very low	117 Å²	117	128 Å²	128	82%	0.818	82%	0.817	S	S	*	*				-171.3	134.9	70.1	-66.5	0	0	0	0	113.1
365	A	34.4	Very low	33.5	Very low	103 Å²	103	123.6 Å²	123.6	85%	0.851	81%	0.812	S	S	*	*			trans	42.8	113.4	139.9	0	0	0	0	0	122.2
366	S	34	Very low	33.7	Very low	125 Å²	125	118.6 Å²	118.6	87%	0.874	80%	0.802	S	S	*	*				-172.1	123.1	121.3	177.8	0	0	0	0	110.4
367	D	33.5	Very low	34.1	Very low	157 Å²	157	115.3 Å²	115.3	84%	0.84	79%	0.789	S	S	*	*			trans	-56.2	132.7	-178.7	-77.6	-51.7	0	0	0	115.5
368	S	35.3	Very low	35.1	Very low	110 Å²	110	111.3 Å²	111.3	77%	0.769	77%	0.765	S	S	*	*				172.6	132.3	129.4	-74.3	0	0	0	0	110.4
369	P	34.1	Very low	35.6	Very low	106 Å²	106	114.5 Å²	114.5	69%	0.688	76%	0.761	S	S	*	*			trans	-79.1	143.4	-174.1	31.5	-32.6	0	0	0	112.1	N371	P369-N371 PolarHBondContact O-N 2.88Å; P369-N371 PolarHBondContact O-OD1 3.16Å
370	P	34.7	Very low	37	Very low	128 Å²	128	111.4 Å²	111.4	83%	0.831	75%	0.746	S	S	*	*			trans	-82.2	112.4	176.5	31.2	-29	0	0	0	110.1	S372	P370-S372 PolarHBondContact O-N 3.44Å
371	N	31.8	Very low	37.6	Very low	141 Å²	141	110.4 Å²	110.4	75%	0.754	73%	0.728	S	S	*	*			trans	-60.9	126.4	173.7	-55.2	-6.7	0	0	0	110.2	P369 S373	P369-N371 PolarHBondContact O-N 2.88Å; P369-N371 PolarHBondContact O-OD1 3.16Å; N371-S373 PolarHBondContact O-N 2.81Å
372	S	29.7	Very low	38.9	Very low	124 Å²	124	110.5 Å²	110.5	87%	0.867	71%	0.708	S	S	*	*			trans	-64.2	109.1	167.5	59.2	0	0	0	0	110.5	P370	P370-S372 PolarHBondContact O-N 3.44Å
373	S	33.8	Very low	40	Very low	99 Å²	99	109.8 Å²	109.8	69%	0.692	69%	0.689	S	S	*	*			trans	-149	130.8	158.9	61.3	0	0	0	0	108.7	N371 S375	N371-S373 PolarHBondContact O-N 2.81Å; S373-S375 VanDerWaalsContact C-N 3.34Å; S373-S375 PolarHBondContact O-N 2.88Å
374	G	30.5	Very low	40.9	Very low	95 Å²	95	103 Å²	103	98%	0.979	66%	0.658	S	S	*	*			trans	-58.4	87.4	-174.9	0	0	0	0	0	113.2
375	S	37.5	Very low	42.4	Very low	111 Å²	111	103.1 Å²	103.1	78%	0.776	65%	0.649	S	S	*	*			trans	-89.9	128	178.7	-165.4	0	0	0	0	109.3	S373	S373-S375 VanDerWaalsContact C-N 3.34Å; S373-S375 PolarHBondContact O-N 2.88Å
376	G	39.3	Very low	43.4	Very low	52 Å²	52	103 Å²	103	54%	0.536	63%	0.631	S	S	.	*			trans	-57.8	178.6	168.7	0	0	0	0	0	112	S378	G376-S378 PolarHBondContact O-N 3.4Å
377	P	41.7	Very low	44.6	Very low	82 Å²	82	100 Å²	100	53%	0.532	61%	0.606	S	S	.	*	S	Bend	trans	-51.2	134.9	-179.9	21.5	-31.7	0	0	0	111.1	Q381 I382	P377-Q381 VanDerWaalsContact CA-OE1 3.27Å; P377-Q381 HydrophobicContact CB-CB 4.19Å; P377-I382 HydrophobicContact CB-CG1 4.27Å; P377-I382 HydrophobicContact CG-CD1 4.44Å; P377-I382 HydrophobicContact CG-CG1 4.19Å
378	S	50.4	Low	45.8	Very low	54 Å²	54	95.4 Å²	95.4	38%	0.378	58%	0.583	S	S	.	*			trans	-63.2	154.6	-176.8	77.7	0	0	0	0	110.9	G376 N380 Q381 I382	G376-S378 PolarHBondContact O-N 3.4Å; S378-N380 PolarHBondContact O-N 3.31Å; S378-N380 VanDerWaalsContact O-N 3.1Å; S378-Q381 WeakPolarHBondContact O-CA 3.23Å; S378-Q381 WeakPolarHBondContact O-CB 3.13Å; S378-Q381 PolarHBondContact O-N 3.16Å; S378-Q381 WeakPolarHBondContact OG-CG 3.27Å; S378-Q381 PolarHBondContact OG-N 2.98Å; S378-I382 PolarHBondContact O-N 2.84Å
379	Y	46	Very low	46.8	Very low	178 Å²	178	94.6 Å²	94.6	70%	0.698	57%	0.57	S	S	*	*	H	α-helix	trans	-50.2	-38.8	178.5	-180	-98	0	0	0	112.4	Q381 I382 N383	Y379-Q381 PolarHBondContact O-N 3.46Å; Y379-I382 PolarHBondContact O-N 3.07Å; Y379-N383 VanDerWaalsContact O-CB 3.29Å; Y379-N383 WeakPolarHBondContact O-CB 3.14Å; Y379-N383 PolarHBondContact O-N 3.43Å
380	N	61.9	Low	48	Very low	99 Å²	99	95.7 Å²	95.7	53%	0.529	56%	0.56	S	S	.	*	H	α-helix	trans	-67.3	-33.9	176.2	-67.7	-15.1	0	0	0	113	M344 S378 L384	M344-N380 HydrophobicContact CE-CB 4.06Å; S378-N380 PolarHBondContact O-N 3.31Å; S378-N380 VanDerWaalsContact O-N 3.1Å; N380-L384 WeakPolarHBondContact O-CB 3.12Å; N380-L384 PolarHBondContact O-N 3.11Å
381	Q	50	Low	48.9	Very low	102 Å²	102	96.1 Å²	96.1	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-70.8	-38.4	174.6	-70.9	173.6	-31.6	0	0	111.8	P377 S378 Y379 L385	P377-Q381 VanDerWaalsContact CA-OE1 3.27Å; P377-Q381 HydrophobicContact CB-CB 4.19Å; S378-Q381 WeakPolarHBondContact O-CA 3.23Å; S378-Q381 WeakPolarHBondContact O-CB 3.13Å; S378-Q381 PolarHBondContact O-N 3.16Å; S378-Q381 WeakPolarHBondContact OG-CG 3.27Å; S378-Q381 PolarHBondContact OG-N 2.98Å; Y379-Q381 PolarHBondContact O-N 3.46Å; Q381-L385 WeakPolarHBondContact O-CB 3.26Å; Q381-L385 WeakPolarHBondContact O-CD1 3.41Å; Q381-L385 WeakPolarHBondContact O-CG 3.31Å; Q381-L385 PolarHBondContact O-N 3.39Å
382	I	56.3	Low	49.8	Very low	83 Å²	83	93 Å²	93	43%	0.426	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-44.1	173.7	-61.4	172.4	0	0	0	109.8	P377 S378 Y379 L384 L385 E386	P377-I382 HydrophobicContact CB-CG1 4.27Å; P377-I382 HydrophobicContact CG-CD1 4.44Å; P377-I382 HydrophobicContact CG-CG1 4.19Å; S378-I382 PolarHBondContact O-N 2.84Å; Y379-I382 PolarHBondContact O-N 3.07Å; I382-L384 PolarHBondContact O-N 3.05Å; I382-L385 PolarHBondContact O-N 3.46Å; I382-E386 VanDerWaalsContact O-CB 3.29Å; I382-E386 WeakPolarHBondContact O-CB 3.19Å; I382-E386 PolarHBondContact O-N 3.22Å
383	N	56.5	Low	50.8	Low	52 Å²	52	91.4 Å²	91.4	28%	0.278	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-36.6	179.1	-159.2	19.4	0	0	0	112	Y379 E386 N387	Y379-N383 VanDerWaalsContact O-CB 3.29Å; Y379-N383 WeakPolarHBondContact O-CB 3.14Å; Y379-N383 PolarHBondContact O-N 3.43Å; N383-E386 PolarHBondContact O-N 3.05Å; N383-N387 VanDerWaalsContact O-CB 3.23Å; N383-N387 WeakPolarHBondContact O-CB 3.18Å; N383-N387 PolarHBondContact O-N 3.01Å; N383-N387 PolarHBondContact O-ND2 2.98Å
384	L	54.1	Low	51.6	Low	44 Å²	44	88.9 Å²	88.9	23%	0.23	49%	0.488	C	S	.	.	H	α-helix	trans	-65.1	-46.3	172.4	-167.8	83.1	0	0	0	111.2	E342 M344 N380 I382 E386 N387 V388	E342-L384 HydrophobicContact CB-CD1 4.24Å; E342-L384 HydrophobicContact CG-CD1 3.88Å; M344-L384 HydrophobicContact CE-CB 4.44Å; M344-L384 HydrophobicContact CE-CD1 4.37Å; M344-L384 HydrophobicContact SD-CD1 4.05Å; M344-L384 HydrophobicContact SD-CD2 3.94Å; M344-L384 HydrophobicContact SD-CG 4.47Å; N380-L384 WeakPolarHBondContact O-CB 3.12Å; N380-L384 PolarHBondContact O-N 3.11Å; I382-L384 PolarHBondContact O-N 3.05Å; L384-E386 VanDerWaalsContact C-N 3.3Å; L384-E386 PolarHBondContact O-N 3.17Å; L384-N387 PolarHBondContact O-N 3.49Å; L384-V388 WeakPolarHBondContact O-CB 3.25Å; L384-V388 VanDerWaalsContact O-CG2 3.22Å; L384-V388 WeakPolarHBondContact O-CG2 3.43Å; L384-V388 PolarHBondContact O-N 3.43Å
385	L	64.1	Low	52.1	Low	120 Å²	120	87.5 Å²	87.5	63%	0.628	46%	0.455	S	S	*	.	H	α-helix	trans	-60.2	-42.2	176	-78.3	163.7	0	0	0	111.3	Q381 I382 V388 D389	Q381-L385 WeakPolarHBondContact O-CB 3.26Å; Q381-L385 WeakPolarHBondContact O-CD1 3.41Å; Q381-L385 WeakPolarHBondContact O-CG 3.31Å; Q381-L385 PolarHBondContact O-N 3.39Å; I382-L385 PolarHBondContact O-N 3.46Å; L385-V388 PolarHBondContact O-N 3.27Å; L385-D389 WeakPolarHBondContact O-CB 3.33Å; L385-D389 PolarHBondContact O-N 2.93Å
386	E	57	Low	52.2	Low	100 Å²	100	83.2 Å²	83.2	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-72	-33.5	179.4	-161	-176.6	-136.8	0	0	112.5	I382 N383 L384 D389 R390	I382-E386 VanDerWaalsContact O-CB 3.29Å; I382-E386 WeakPolarHBondContact O-CB 3.19Å; I382-E386 PolarHBondContact O-N 3.22Å; N383-E386 PolarHBondContact O-N 3.05Å; L384-E386 VanDerWaalsContact C-N 3.3Å; L384-E386 PolarHBondContact O-N 3.17Å; E386-D389 PolarHBondContact O-N 3.31Å; E386-R390 VanDerWaalsContact O-CB 3.31Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 PolarHBondContact O-N 3.35Å; E386-R390 IonicContact OE2-CZ 2.98Å; E386-R390 IonicContact OE2-NH2 3.09Å; E386-R390 PolarHBondContact OE2-NH2 3.07Å
387	N	58.5	Low	52.3	Low	64 Å²	64	85.7 Å²	85.7	34%	0.342	42%	0.424	S	S	.	.	H	α-helix	trans	-69.1	-39.7	172.2	-79	-14.6	0	0	0	111.8	N383 L384 R390 Y391	N383-N387 VanDerWaalsContact O-CB 3.23Å; N383-N387 WeakPolarHBondContact O-CB 3.18Å; N383-N387 PolarHBondContact O-N 3.01Å; N383-N387 PolarHBondContact O-ND2 2.98Å; L384-N387 PolarHBondContact O-N 3.49Å; N387-R390 PolarHBondContact O-N 3.34Å; N387-Y391 VanDerWaalsContact O-CB 3.32Å; N387-Y391 WeakPolarHBondContact O-CB 3.4Å; N387-Y391 PolarHBondContact O-N 2.99Å
388	V	58.4	Low	52.1	Low	59 Å²	59	87.1 Å²	87.1	36%	0.358	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-43.7	173.1	170.3	0	0	0	0	109.9	L384 L385 Y391 F392	L384-V388 WeakPolarHBondContact O-CB 3.25Å; L384-V388 VanDerWaalsContact O-CG2 3.22Å; L384-V388 WeakPolarHBondContact O-CG2 3.43Å; L384-V388 PolarHBondContact O-N 3.43Å; L385-V388 PolarHBondContact O-N 3.27Å; V388-Y391 PolarHBondContact O-N 3.05Å; V388-F392 HydrophobicContact CG1-CD2 3.65Å; V388-F392 HydrophobicContact CG1-CE2 3.31Å; V388-F392 HydrophobicContact CG1-CZ 4.43Å; V388-F392 WeakPolarHBondContact O-CD2 3.35Å; V388-F392 PolarHBondContact O-N 3.39Å
389	D	55.9	Low	51.4	Low	94 Å²	94	87 Å²	87	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-44	176.4	-130.5	6.5	0	0	0	111.6	L385 E386 Y391 F392 Q393	L385-D389 WeakPolarHBondContact O-CB 3.33Å; L385-D389 PolarHBondContact O-N 2.93Å; E386-D389 PolarHBondContact O-N 3.31Å; D389-Y391 PolarHBondContact O-N 2.97Å; D389-F392 PolarHBondContact O-N 2.99Å; D389-Q393 WeakPolarHBondContact O-CB 3.06Å; D389-Q393 VanDerWaalsContact O-CG 3.26Å; D389-Q393 WeakPolarHBondContact O-CG 3.14Å; D389-Q393 PolarHBondContact O-N 3.41Å
390	R	60.8	Low	50.9	Low	129 Å²	129	83 Å²	83	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-40.7	173.4	-89.5	-175.5	-98.1	-179.8	-7.5	112.3	E386 N387 Q393 S394	E386-R390 VanDerWaalsContact O-CB 3.31Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 PolarHBondContact O-N 3.35Å; E386-R390 IonicContact OE2-CZ 2.98Å; E386-R390 IonicContact OE2-NH2 3.09Å; E386-R390 PolarHBondContact OE2-NH2 3.07Å; N387-R390 PolarHBondContact O-N 3.34Å; R390-Q393 PolarHBondContact O-N 3.18Å; R390-S394 WeakPolarHBondContact O-CB 3.32Å; R390-S394 PolarHBondContact O-N 3.32Å; R390-S394 PolarHBondContact O-OG 2.81Å
391	Y	54	Low	49.9	Very low	137 Å²	137	83 Å²	83	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-50.5	175.6	177.3	-96.7	0	0	0	110.4	N387 V388 D389 Q393 S394 Q395	N387-Y391 VanDerWaalsContact O-CB 3.32Å; N387-Y391 WeakPolarHBondContact O-CB 3.4Å; N387-Y391 PolarHBondContact O-N 2.99Å; V388-Y391 PolarHBondContact O-N 3.05Å; D389-Y391 PolarHBondContact O-N 2.97Å; Y391-Q393 PolarHBondContact O-N 3.36Å; Y391-S394 PolarHBondContact O-N 3.07Å; Y391-S394 PolarHBondContact O-OG 3.43Å; Y391-Q395 HydrophobicContact CD1-CG 4.37Å; Y391-Q395 HydrophobicContact CE1-CG 4Å; Y391-Q395 HydrophobicContact CE2-CG 4.39Å; Y391-Q395 WeakPolarHBondContact O-CG 3.41Å; Y391-Q395 PolarHBondContact O-N 2.98Å
392	F	50.2	Low	49.2	Very low	76 Å²	76	82.4 Å²	82.4	33%	0.333	42%	0.418	S	S	.	.	H	α-helix	trans	-60.7	-44	177.3	-73.9	-60.1	0	0	0	112.1	V388 D389 S394 Q395 F396 L457	V388-F392 HydrophobicContact CG1-CD2 3.65Å; V388-F392 HydrophobicContact CG1-CE2 3.31Å; V388-F392 HydrophobicContact CG1-CZ 4.43Å; V388-F392 WeakPolarHBondContact O-CD2 3.35Å; V388-F392 PolarHBondContact O-N 3.39Å; D389-F392 PolarHBondContact O-N 2.99Å; F392-S394 PolarHBondContact O-N 3.2Å; F392-Q395 PolarHBondContact O-N 3.47Å; F392-F396 HydrophobicContact CB-CE2 3.98Å; F392-F396 HydrophobicContact CB-CZ 4.5Å; F392-F396 WeakPolarHBondContact O-CD2 3.39Å; F392-F396 WeakPolarHBondContact O-CE2 3.27Å; F392-F396 VanDerWaalsContact O-CG 3.26Å; F392-F396 WeakPolarHBondContact O-CG 3.39Å; F392-F396 PolarHBondContact O-N 3Å; F392-L457 HydrophobicContact CD1-CD1 3.74Å; F392-L457 HydrophobicContact CE1-CD1 3.84Å
393	Q	50.3	Low	48.3	Very low	90 Å²	90	84.8 Å²	84.8	42%	0.421	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-44.7	174.5	-72.7	172.7	18.2	0	0	112.6	D389 R390 Y391 Q395 F396 D397	D389-Q393 WeakPolarHBondContact O-CB 3.06Å; D389-Q393 VanDerWaalsContact O-CG 3.26Å; D389-Q393 WeakPolarHBondContact O-CG 3.14Å; D389-Q393 PolarHBondContact O-N 3.41Å; R390-Q393 PolarHBondContact O-N 3.18Å; Y391-Q393 PolarHBondContact O-N 3.36Å; Q393-Q395 VanDerWaalsContact C-N 3.31Å; Q393-Q395 PolarHBondContact O-N 3.48Å; Q393-F396 WeakPolarHBondContact O-CA 3.43Å; Q393-F396 WeakPolarHBondContact O-CB 3.48Å; Q393-F396 PolarHBondContact O-N 2.81Å; Q393-D397 PolarHBondContact O-N 2.89Å
394	S	49.6	Very low	47.6	Very low	46 Å²	46	85.1 Å²	85.1	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-33.8	179.3	73.7	0	0	0	0	113.2	R390 Y391 F392 F396 Q398	R390-S394 WeakPolarHBondContact O-CB 3.32Å; R390-S394 PolarHBondContact O-N 3.32Å; R390-S394 PolarHBondContact O-OG 2.81Å; Y391-S394 PolarHBondContact O-N 3.07Å; Y391-S394 PolarHBondContact O-OG 3.43Å; F392-S394 PolarHBondContact O-N 3.2Å; S394-F396 VanDerWaalsContact C-N 3.33Å; S394-Q398 WeakPolarHBondContact O-CG 3.41Å; S394-Q398 PolarHBondContact O-N 3.28Å
395	Q	41.8	Very low	47.4	Very low	65 Å²	65	85.7 Å²	85.7	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-69.2	-34.7	173.6	-66.2	-65.6	-30.8	0	0	110.7	Y391 F392 Q393 I399	Y391-Q395 HydrophobicContact CD1-CG 4.37Å; Y391-Q395 HydrophobicContact CE1-CG 4Å; Y391-Q395 HydrophobicContact CE2-CG 4.39Å; Y391-Q395 WeakPolarHBondContact O-CG 3.41Å; Y391-Q395 PolarHBondContact O-N 2.98Å; F392-Q395 PolarHBondContact O-N 3.47Å; Q393-Q395 VanDerWaalsContact C-N 3.31Å; Q393-Q395 PolarHBondContact O-N 3.48Å; Q395-I399 WeakPolarHBondContact O-CD1 3.22Å; Q395-I399 WeakPolarHBondContact O-CG1 3.46Å; Q395-I399 PolarHBondContact O-N 3.35Å; Q395-I399 VanDerWaalsContact O-N 3.09Å
396	F	39.2	Very low	46.4	Very low	22 Å²	22	82.1 Å²	82.1	10%	0.096	43%	0.432	C	S	.	.	H	α-helix	trans	-67.4	-42.8	175.7	-63.9	-41.8	0	0	0	113.5	F392 Q393 S394 Q398 I399 L400 P454 L457	F392-F396 HydrophobicContact CB-CE2 3.98Å; F392-F396 HydrophobicContact CB-CZ 4.5Å; F392-F396 WeakPolarHBondContact O-CD2 3.39Å; F392-F396 WeakPolarHBondContact O-CE2 3.27Å; F392-F396 VanDerWaalsContact O-CG 3.26Å; F392-F396 WeakPolarHBondContact O-CG 3.39Å; F392-F396 PolarHBondContact O-N 3Å; Q393-F396 WeakPolarHBondContact O-CA 3.43Å; Q393-F396 WeakPolarHBondContact O-CB 3.48Å; Q393-F396 PolarHBondContact O-N 2.81Å; S394-F396 VanDerWaalsContact C-N 3.33Å; F396-Q398 VanDerWaalsContact C-N 3.32Å; F396-Q398 PolarHBondContact O-N 2.87Å; F396-I399 PolarHBondContact O-N 2.76Å; F396-L400 WeakPolarHBondContact O-CB 3.5Å; F396-L400 WeakPolarHBondContact O-CG 3.34Å; F396-L400 PolarHBondContact O-N 3.01Å; F396-P454 HydrophobicContact CB-CB 4.34Å; F396-P454 HydrophobicContact CB-CG 4.07Å; F396-P454 HydrophobicContact CD1-CB 3.18Å; F396-P454 HydrophobicContact CD1-CG 3.11Å; F396-P454 HydrophobicContact CD2-CB 3.68Å; F396-P454 HydrophobicContact CD2-CG 4.31Å; F396-P454 HydrophobicContact CE1-CB 3.22Å; F396-P454 VanDerWaalsContact CE1-CD 3.45Å; F396-P454 HydrophobicContact CE1-CG 3.58Å; F396-P454 HydrophobicContact CE2-CB 3.69Å; F396-P454 HydrophobicContact CG-CB 3.46Å; F396-P454 VanDerWaalsContact CG-CB 3.46Å; F396-P454 HydrophobicContact CG-CG 3.57Å; F396-P454 HydrophobicContact CZ-CB 3.48Å; F396-P454 VanDerWaalsContact CZ-CB 3.48Å; F396-P454 HydrophobicContact CZ-CG 4.33Å; F396-L457 HydrophobicContact CE1-CD1 4.28Å; F396-L457 HydrophobicContact CZ-CB 4.23Å; F396-L457 HydrophobicContact CZ-CD1 3.7Å
397	D	42	Very low	45.9	Very low	104 Å²	104	80.1 Å²	80.1	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-65.1	-36.8	177.4	-72.7	-22.6	0	0	0	111.9	Q393 T401	Q393-D397 PolarHBondContact O-N 2.89Å; D397-T401 VanDerWaalsContact O-CB 3.29Å; D397-T401 WeakPolarHBondContact O-CB 3.45Å; D397-T401 PolarHBondContact O-N 3.4Å; D397-T401 PolarHBondContact O-OG1 3.41Å
398	Q	38.3	Very low	45.5	Very low	112 Å²	112	83.1 Å²	83.1	52%	0.523	44%	0.439	S	S	.	.	H	α-helix	trans	-66	-43.2	175.1	-73.5	176.8	33.4	0	0	112	S394 F396 T401 C402	S394-Q398 WeakPolarHBondContact O-CG 3.41Å; S394-Q398 PolarHBondContact O-N 3.28Å; F396-Q398 VanDerWaalsContact C-N 3.32Å; F396-Q398 PolarHBondContact O-N 2.87Å; Q398-T401 PolarHBondContact O-N 3.17Å; Q398-C402 WeakPolarHBondContact O-CB 3.14Å; Q398-C402 PolarHBondContact O-N 2.92Å; Q398-C402 PolarHBondContact O-SG 3.17Å
399	I	34.5	Very low	45	Very low	52 Å²	52	86.3 Å²	86.3	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-43.3	178.7	-67.5	165.2	0	0	0	110.8	Q395 F396 H403 P451	Q395-I399 WeakPolarHBondContact O-CD1 3.22Å; Q395-I399 WeakPolarHBondContact O-CG1 3.46Å; Q395-I399 PolarHBondContact O-N 3.35Å; Q395-I399 VanDerWaalsContact O-N 3.09Å; F396-I399 PolarHBondContact O-N 2.76Å; I399-H403 WeakPolarHBondContact O-CB 3.37Å; I399-H403 PolarHBondContact O-N 3.22Å; I399-P451 HydrophobicContact CG2-CB 4.43Å
400	L	35.4	Very low	44.5	Very low	94 Å²	94	87.7 Å²	87.7	49%	0.492	46%	0.457	S	S	.	.	H	α-helix	trans	-63.5	-42.7	176.6	-75.8	163.4	0	0	0	111.9	F396 H403 A404	F396-L400 WeakPolarHBondContact O-CB 3.5Å; F396-L400 WeakPolarHBondContact O-CG 3.34Å; F396-L400 PolarHBondContact O-N 3.01Å; L400-H403 PolarHBondContact O-N 2.99Å; L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.11Å
401	T	42.3	Very low	43.6	Very low	97 Å²	97	87.2 Å²	87.2	60%	0.595	46%	0.46	S	S	*	.	H	α-helix	trans	-68.1	-42.9	-179.6	-54.4	0	0	0	0	111.9	D397 Q398 H403 A404 S405	D397-T401 VanDerWaalsContact O-CB 3.29Å; D397-T401 WeakPolarHBondContact O-CB 3.45Å; D397-T401 PolarHBondContact O-N 3.4Å; D397-T401 PolarHBondContact O-OG1 3.41Å; Q398-T401 PolarHBondContact O-N 3.17Å; T401-H403 VanDerWaalsContact C-N 3.33Å; T401-H403 PolarHBondContact O-N 3.21Å; T401-A404 PolarHBondContact O-N 3Å; T401-S405 WeakPolarHBondContact O-CB 3.48Å; T401-S405 PolarHBondContact O-N 3.36Å
402	C	34.9	Very low	43.3	Very low	90 Å²	90	86.7 Å²	86.7	61%	0.608	46%	0.462	S	S	*	.	H	α-helix	trans	-64.4	-37.6	175.9	-70.2	0	0	0	0	112.1	Q398 A406	Q398-C402 WeakPolarHBondContact O-CB 3.14Å; Q398-C402 PolarHBondContact O-N 2.92Å; Q398-C402 PolarHBondContact O-SG 3.17Å; C402-A406 VanDerWaalsContact O-CB 3.3Å; C402-A406 WeakPolarHBondContact O-CB 3.27Å; C402-A406 PolarHBondContact O-N 3.18Å
403	H	36.1	Very low	43.2	Very low	133 Å²	133	87.2 Å²	87.2	62%	0.616	47%	0.472	S	S	*	.	H	α-helix	trans	-70.9	-41.7	178.7	-153.6	-77.3	0	0	0	111.9	I399 L400 T401 A406 V407	I399-H403 WeakPolarHBondContact O-CB 3.37Å; I399-H403 PolarHBondContact O-N 3.22Å; L400-H403 PolarHBondContact O-N 2.99Å; T401-H403 VanDerWaalsContact C-N 3.33Å; T401-H403 PolarHBondContact O-N 3.21Å; H403-A406 PolarHBondContact O-N 3.38Å; H403-V407 VanDerWaalsContact O-CG2 3.26Å; H403-V407 WeakPolarHBondContact O-CG2 3.22Å; H403-V407 PolarHBondContact O-N 2.87Å
404	A	41.9	Very low	42.8	Very low	60 Å²	60	85.4 Å²	85.4	50%	0.496	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-44.1	174.6	0	0	0	0	0	111.7	L400 T401 V407 Q408	L400-A404 WeakPolarHBondContact O-CB 3.27Å; L400-A404 PolarHBondContact O-N 3.11Å; T401-A404 PolarHBondContact O-N 3Å; A404-V407 PolarHBondContact O-N 3.15Å; A404-Q408 WeakPolarHBondContact O-CB 3.35Å; A404-Q408 PolarHBondContact O-N 2.93Å
405	S	50.6	Low	42.4	Very low	55 Å²	55	89 Å²	89	39%	0.385	49%	0.488	S	S	.	.	H	α-helix	trans	-68.2	-37.2	178.5	-164.9	0	0	0	0	112.7	T401 Q408 Q409	T401-S405 WeakPolarHBondContact O-CB 3.48Å; T401-S405 PolarHBondContact O-N 3.36Å; S405-Q408 PolarHBondContact O-N 3.3Å; S405-Q409 WeakPolarHBondContact O-CG 3.46Å; S405-Q409 PolarHBondContact O-N 3.25Å
406	A	42.9	Very low	42.6	Very low	45 Å²	45	96.9 Å²	96.9	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-66.8	-39.3	175.1	0	0	0	0	0	112.6	C402 H403 L410	C402-A406 VanDerWaalsContact O-CB 3.3Å; C402-A406 WeakPolarHBondContact O-CB 3.27Å; C402-A406 PolarHBondContact O-N 3.18Å; H403-A406 PolarHBondContact O-N 3.38Å; A406-L410 WeakPolarHBondContact O-CB 3.31Å; A406-L410 VanDerWaalsContact O-CG 3.29Å; A406-L410 WeakPolarHBondContact O-CG 3.24Å; A406-L410 PolarHBondContact O-N 2.79Å
407	V	45.9	Very low	42.7	Very low	58 Å²	58	101.1 Å²	101.1	35%	0.352	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-41.5	175.2	171.6	0	0	0	0	110.9	H403 A404 Q409 L410 Q411	H403-V407 VanDerWaalsContact O-CG2 3.26Å; H403-V407 WeakPolarHBondContact O-CG2 3.22Å; H403-V407 PolarHBondContact O-N 2.87Å; A404-V407 PolarHBondContact O-N 3.15Å; V407-Q409 PolarHBondContact O-N 3.29Å; V407-L410 PolarHBondContact O-N 2.86Å; V407-Q411 WeakPolarHBondContact O-CB 3.5Å; V407-Q411 PolarHBondContact O-N 3.26Å
408	Q	50	Low	42.2	Very low	128 Å²	128	103.1 Å²	103.1	60%	0.598	55%	0.553	S	S	*	*	H	α-helix	trans	-64.2	-41.2	177.9	-141.7	168.1	12.2	0	0	112	A404 S405 Q411 E412	A404-Q408 WeakPolarHBondContact O-CB 3.35Å; A404-Q408 PolarHBondContact O-N 2.93Å; S405-Q408 PolarHBondContact O-N 3.3Å; Q408-Q411 PolarHBondContact O-N 3.16Å; Q408-E412 WeakPolarHBondContact O-CG 3.4Å; Q408-E412 PolarHBondContact O-N 2.63Å
409	Q	48.4	Very low	42	Very low	126 Å²	126	103.3 Å²	103.3	59%	0.589	56%	0.563	S	S	*	*	H	α-helix	trans	-65.3	-38.7	174.5	-74.9	-178.8	4.1	0	0	112.6	S405 V407 T413	S405-Q409 WeakPolarHBondContact O-CG 3.46Å; S405-Q409 PolarHBondContact O-N 3.25Å; V407-Q409 PolarHBondContact O-N 3.29Å; Q409-T413 WeakPolarHBondContact O-CG2 3.45Å; Q409-T413 PolarHBondContact O-N 3.08Å; Q409-T413 VanDerWaalsContact O-N 3.08Å; Q409-T413 PolarHBondContact O-OG1 3.16Å; Q409-T413 VanDerWaalsContact O-OG1 3.07Å
410	L	44.8	Very low	42	Very low	122 Å²	122	106.2 Å²	106.2	64%	0.639	59%	0.589	S	S	*	*	H	α-helix	trans	-67.4	-40.3	177.1	-74.5	168.7	0	0	0	111.8	A406 V407 T413 A414	A406-L410 WeakPolarHBondContact O-CB 3.31Å; A406-L410 VanDerWaalsContact O-CG 3.29Å; A406-L410 WeakPolarHBondContact O-CG 3.24Å; A406-L410 PolarHBondContact O-N 2.79Å; V407-L410 PolarHBondContact O-N 2.86Å; L410-T413 WeakPolarHBondContact CA-OG1 3.24Å; L410-T413 PolarHBondContact O-N 2.77Å; L410-T413 PolarHBondContact O-OG1 2.93Å; L410-A414 PolarHBondContact O-N 3.39Å
411	Q	43.6	Very low	42	Very low	119 Å²	119	110.5 Å²	110.5	56%	0.556	61%	0.606	S	S	*	*	H	α-helix	trans	-63.4	-45.2	175.5	-160.1	78.7	3.9	0	0	111.5	V407 Q408 T413 A414 D415	V407-Q411 WeakPolarHBondContact O-CB 3.5Å; V407-Q411 PolarHBondContact O-N 3.26Å; Q408-Q411 PolarHBondContact O-N 3.16Å; Q411-T413 VanDerWaalsContact C-N 3.3Å; Q411-T413 PolarHBondContact O-N 2.77Å; Q411-A414 PolarHBondContact O-N 3.38Å; Q411-D415 PolarHBondContact O-N 2.72Å; Q411-D415 VanDerWaalsContact O-N 3.08Å
412	E	45.8	Very low	41.6	Very low	127 Å²	127	114.8 Å²	114.8	59%	0.593	62%	0.619	S	S	*	*	H	α-helix	trans	-64.9	-31.2	177.4	-76.2	180	178.2	0	0	113	Q408 R416	Q408-E412 WeakPolarHBondContact O-CG 3.4Å; Q408-E412 PolarHBondContact O-N 2.63Å; E412-R416 WeakPolarHBondContact O-CG 3.34Å
413	T	48.3	Very low	41.5	Very low	87 Å²	87	114.1 Å²	114.1	53%	0.534	63%	0.627	S	S	.	*	H	α-helix	trans	-75.8	-31.2	173.9	49.4	0	0	0	0	113.7	Q409 L410 Q411 T417	Q409-T413 WeakPolarHBondContact O-CG2 3.45Å; Q409-T413 PolarHBondContact O-N 3.08Å; Q409-T413 VanDerWaalsContact O-N 3.08Å; Q409-T413 PolarHBondContact O-OG1 3.16Å; Q409-T413 VanDerWaalsContact O-OG1 3.07Å; L410-T413 WeakPolarHBondContact CA-OG1 3.24Å; L410-T413 PolarHBondContact O-N 2.77Å; L410-T413 PolarHBondContact O-OG1 2.93Å; Q411-T413 VanDerWaalsContact C-N 3.3Å; Q411-T413 PolarHBondContact O-N 2.77Å; T413-T417 PolarHBondContact O-OG1 2.92Å
414	A	41.8	Very low	41.2	Very low	51 Å²	51	112.5 Å²	112.5	42%	0.421	64%	0.637	S	S	.	*	H	α-helix	trans	-73	-37.6	177.5	0	0	0	0	0	112.2	L410 Q411 R416 T417	L410-A414 PolarHBondContact O-N 3.39Å; Q411-A414 PolarHBondContact O-N 3.38Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 PolarHBondContact O-N 2.83Å; A414-T417 PolarHBondContact O-N 2.82Å; A414-T417 PolarHBondContact O-OG1 3.33Å
415	D	41.1	Very low	40.6	Very low	122 Å²	122	115.6 Å²	115.6	65%	0.652	66%	0.655	S	S	*	*	H	α-helix	trans	-71.9	-17.7	177.5	-79.6	-20.4	0	0	0	113.5	Q411	Q411-D415 PolarHBondContact O-N 2.72Å; Q411-D415 VanDerWaalsContact O-N 3.08Å
416	R	46.3	Very low	39.8	Very low	230 Å²	230	117.8 Å²	117.8	87%	0.868	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-1.7	177.5	-72.8	-161.9	-179.3	-148.6	2.9	115.1	E412 A414	E412-R416 WeakPolarHBondContact O-CG 3.34Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 PolarHBondContact O-N 2.83Å
417	T	41.8	Very low	39	Very low	111 Å²	111	121 Å²	121	68%	0.681	70%	0.695	S	S	*	*	S	Bend	trans	-115.6	9.8	-173.4	31.9	0	0	0	0	115.8	T413 A414	T413-T417 PolarHBondContact O-OG1 2.92Å; A414-T417 PolarHBondContact O-N 2.82Å; A414-T417 PolarHBondContact O-OG1 3.33Å
418	L	31.7	Very low	38.3	Very low	147 Å²	147	125.2 Å²	125.2	77%	0.77	71%	0.714	S	S	*	*			trans	-100	114.9	175	-75	166.7	0	0	0	112.2
419	P	35	Very low	37.3	Very low	115 Å²	115	127.5 Å²	127.5	75%	0.747	72%	0.724	S	S	*	*			trans	-78	128.1	168.9	11.9	2.7	0	0	0	110.2	E421	P419-E421 PolarHBondContact O-N 3.01Å
420	S	33.3	Very low	36.3	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	74%	0.735	S	S	*	*			trans	-74.7	113.6	171.8	-179.5	0	0	0	0	110
421	E	34.7	Very low	35.6	Very low	183 Å²	183	131.4 Å²	131.4	86%	0.855	75%	0.747	S	S	*	*			trans	-99.9	120.5	172.6	-71.4	-147.3	151	0	0	112.2	P419	P419-E421 PolarHBondContact O-N 3.01Å
422	H	35	Very low	34.8	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.866	76%	0.756	S	S	*	*			trans	-118.1	124.7	158.1	-82.2	-9.4	0	0	0	108.5
423	G	31.6	Very low	33.8	Very low	76 Å²	76	132.8 Å²	132.8	78%	0.784	77%	0.766	S	S	*	*			trans	110.2	97.1	149.1	0	0	0	0	0	118.2
424	A	31.6	Very low	32.8	Very low	99 Å²	99	132.3 Å²	132.3	82%	0.818	77%	0.765	S	S	*	*			trans	64	108	135.5	0	0	0	0	0	121.2
425	S	29.3	Very low	31.9	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	79%	0.788	S	S	*	*				54.6	103.4	116.3	-151.1	0	0	0	0	119.4
426	A	33.7	Very low	31.3	Very low	101 Å²	101	142.9 Å²	142.9	84%	0.835	79%	0.794	S	S	*	*				-178.5	134.7	123.9	0	0	0	0	0	111.5
427	C	25.3	Very low	30.1	Very low	112 Å²	112	139.4 Å²	139.4	76%	0.757	79%	0.788	S	S	*	*			trans	-62.7	152.7	175.3	-174.2	0	0	0	0	112.6
428	I	31.4	Very low	29.4	Very low	147 Å²	147	139.4 Å²	139.4	75%	0.754	79%	0.787	S	S	*	*				170.8	113.8	124.5	-81.9	155.1	0	0	0	111.4
429	Q	29.3	Very low	28.9	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	79%	0.787	S	S	*	*			trans	53.1	118.8	137.4	-57	-177.1	-6.5	0	0	123.2
430	A	27.6	Very low	28.5	Very low	99 Å²	99	142.6 Å²	142.6	82%	0.818	79%	0.79	S	S	*	*			trans	-11.4	130.6	149.6	0	0	0	0	0	119.4
431	R	29.3	Very low	28.1	Very low	232 Å²	232	140.7 Å²	140.7	88%	0.875	78%	0.781	S	S	*	*			trans	-166.2	119.6	136.6	-109.3	172.9	-179.7	165.1	1.6	111.5
432	D	26.4	Very low	27.6	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	78%	0.784	S	S	*	*			trans	41.6	140.1	145.9	-55.8	-46.5	0	0	0	123.3
433	V	26.4	Very low	27.2	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	78%	0.784	S	S	*	*			trans	90.7	146.3	152	-164.3	0	0	0	0	117.1
434	P	26	Very low	26.9	Very low	78 Å²	78	146.5 Å²	146.5	51%	0.506	79%	0.788	S	S	.	*			cis	-127.1	174.6	-17.7	26.9	-5.5	0	0	0	115	Y436	P434-Y436 HydrophobicContact CG-CE2 4.42Å; P434-Y436 WeakPolarHBondContact O-CD2 3.24Å; P434-Y436 PolarHBondContact O-N 2.94Å
435	Q	23.7	Very low	26.5	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	79%	0.789	S	S	*	*			trans	-46.6	119.7	158.9	-85.9	166.6	-66.7	0	0	112
436	Y	27.1	Very low	26.4	Very low	199 Å²	199	145 Å²	145	78%	0.78	78%	0.783	S	S	*	*			trans	-96.1	94.4	164.5	-79.1	-88.2	0	0	0	109.7	P434 V438	P434-Y436 HydrophobicContact CG-CE2 4.42Å; P434-Y436 WeakPolarHBondContact O-CD2 3.24Å; P434-Y436 PolarHBondContact O-N 2.94Å; Y436-V438 PolarHBondContact O-N 3.45Å
437	E	22.5	Very low	26	Very low	156 Å²	156	147.1 Å²	147.1	73%	0.729	78%	0.78	S	S	*	*			trans	-74.3	99.7	160.6	-167.3	-176	178	0	0	107.7	K439	E437-K439 VanDerWaalsContact C-N 3.33Å; E437-K439 PolarHBondContact O-N 2.84Å
438	V	25.6	Very low	26.2	Very low	111 Å²	111	147 Å²	147	67%	0.673	78%	0.781	S	S	*	*			trans	-78.2	87.5	174.7	-178.5	0	0	0	0	108.7	Y436 L440	Y436-V438 PolarHBondContact O-N 3.45Å; V438-L440 VanDerWaalsContact C-N 3.32Å; V438-L440 HydrophobicContact CG1-CB 4.13Å; V438-L440 HydrophobicContact CG1-CD1 3.49Å; V438-L440 VanDerWaalsContact CG1-CD1 3.49Å; V438-L440 HydrophobicContact CG1-CG 4.42Å; V438-L440 PolarHBondContact O-N 3.38Å; V438-L440 VanDerWaalsContact O-N 3.14Å
439	K	22.2	Very low	26.1	Very low	176 Å²	176	145 Å²	145	77%	0.765	78%	0.778	S	S	*	*			trans	-71.6	89.5	156.1	-82.6	177.7	178.5	166.9	0	108.2	E437	E437-K439 VanDerWaalsContact C-N 3.33Å; E437-K439 PolarHBondContact O-N 2.84Å
440	L	27	Very low	26.5	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	77%	0.77	S	S	*	*			trans	-97.2	104.5	163.3	-119	86.9	0	0	0	110	V438	V438-L440 VanDerWaalsContact C-N 3.32Å; V438-L440 HydrophobicContact CG1-CB 4.13Å; V438-L440 HydrophobicContact CG1-CD1 3.49Å; V438-L440 VanDerWaalsContact CG1-CD1 3.49Å; V438-L440 HydrophobicContact CG1-CG 4.42Å; V438-L440 PolarHBondContact O-N 3.38Å; V438-L440 VanDerWaalsContact O-N 3.14Å
441	A	25.5	Very low	26.8	Very low	73 Å²	73	141.9 Å²	141.9	60%	0.603	76%	0.758	S	S	*	*			trans	25	119.1	151.8	0	0	0	0	0	119.1	H443	A441-H443 PolarHBondContact O-N 2.87Å
442	Q	23.8	Very low	27	Very low	198 Å²	198	136.8 Å²	136.8	93%	0.925	75%	0.747	S	S	*	*			trans	-49.8	95.4	155.6	-67.5	166.8	-24.2	0	0	110.7
443	H	26.7	Very low	27.7	Very low	184 Å²	184	132.4 Å²	132.4	85%	0.852	73%	0.725	S	S	*	*			trans	-91.7	114.6	157.7	-93.7	-76.9	0	0	0	108.9	A441	A441-H443 PolarHBondContact O-N 2.87Å
444	Q	25.2	Very low	28.3	Very low	187 Å²	187	127.2 Å²	127.2	87%	0.874	70%	0.695	S	S	*	*			trans	-53.1	147	175	-73.3	169.6	-15.4	0	0	111.9	A446	Q444-A446 PolarHBondContact O-N 3.08Å
445	A	23	Very low	28.9	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	68%	0.68	S	S	*	*			trans	-44.5	118.9	-178.9	0	0	0	0	0	114.2
446	A	26.4	Very low	29.7	Very low	91 Å²	91	117 Å²	117	75%	0.752	64%	0.641	S	S	*	*			trans	-108.9	112.6	154.5	0	0	0	0	0	107.7	Q444 S448	Q444-A446 PolarHBondContact O-N 3.08Å; A446-S448 PolarHBondContact O-N 3Å
447	N	25.8	Very low	30.2	Very low	145 Å²	145	110 Å²	110	78%	0.775	62%	0.616	S	S	*	*			trans	-58	96.3	173	-68.9	-39.9	0	0	0	109.5	C449	N447-C449 PolarHBondContact O-N 3.21Å
448	S	29.8	Very low	30.9	Very low	111 Å²	111	108.2 Å²	108.2	78%	0.776	60%	0.603	S	S	*	*			trans	-84.3	103.3	177.9	52.4	0	0	0	0	110.4	A446 L450	A446-S448 PolarHBondContact O-N 3Å; S448-L450 PolarHBondContact O-N 3.43Å
449	C	28.6	Very low	31.4	Very low	104 Å²	104	109.1 Å²	109.1	70%	0.703	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-49.3	122.7	159.5	-88.8	0	0	0	0	109.3	N447	N447-C449 PolarHBondContact O-N 3.21Å
450	L	38.8	Very low	32.4	Very low	123 Å²	123	103.4 Å²	103.4	64%	0.644	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.7	164	-69.7	164.8	0	0	0	108	F290 S448 L452	F290-L450 HydrophobicContact CE2-CD1 3.45Å; F290-L450 VanDerWaalsContact CE2-CD1 3.45Å; F290-L450 HydrophobicContact CZ-CD1 3.4Å; S448-L450 PolarHBondContact O-N 3.43Å; L450-L452 PolarHBondContact O-N 2.77Å
451	P	33.3	Very low	33.6	Very low	87 Å²	87	99 Å²	99	57%	0.565	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-74.6	123	-172.4	28.4	-30.3	0	0	0	110.2	I399 T453	I399-P451 HydrophobicContact CG2-CB 4.43Å; P451-T453 PolarHBondContact O-N 3.09Å
452	L	32.7	Very low	34.6	Very low	125 Å²	125	100.2 Å²	100.2	65%	0.654	55%	0.546	S	S	*	.			trans	-66.6	108.8	169.1	-69.2	157	0	0	0	108.1	L450	L450-L452 PolarHBondContact O-N 2.77Å
453	T	42.2	Very low	36.1	Very low	47 Å²	47	97.9 Å²	97.9	29%	0.288	53%	0.533	S	S	.	.			trans	-81.7	146	-178.8	59.2	0	0	0	0	112.2	P451 E455 N456	P451-T453 PolarHBondContact O-N 3.09Å; T453-E455 VanDerWaalsContact C-N 3.3Å; T453-E455 PolarHBondContact O-N 2.9Å; T453-N456 CarbonylContact O-C 3.58Å; T453-N456 WeakPolarHBondContact O-CA 3.18Å; T453-N456 VanDerWaalsContact O-CB 3.29Å; T453-N456 WeakPolarHBondContact O-CB 2.97Å; T453-N456 PolarHBondContact O-N 3.25Å; T453-N456 PolarHBondContact OG1-ND2 3.18Å; T453-N456 PolarHBondContact OG1-OD1 2.78Å
454	P	37.9	Very low	37.4	Very low	25 Å²	25	91.8 Å²	91.8	16%	0.162	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.2	-176.4	-2.1	-5.1	0	0	0	118	F396 N456 L457	F396-P454 HydrophobicContact CB-CB 4.34Å; F396-P454 HydrophobicContact CB-CG 4.07Å; F396-P454 HydrophobicContact CD1-CB 3.18Å; F396-P454 HydrophobicContact CD1-CG 3.11Å; F396-P454 HydrophobicContact CD2-CB 3.68Å; F396-P454 HydrophobicContact CD2-CG 4.31Å; F396-P454 HydrophobicContact CE1-CB 3.22Å; F396-P454 VanDerWaalsContact CE1-CD 3.45Å; F396-P454 HydrophobicContact CE1-CG 3.58Å; F396-P454 HydrophobicContact CE2-CB 3.69Å; F396-P454 HydrophobicContact CG-CB 3.46Å; F396-P454 VanDerWaalsContact CG-CB 3.46Å; F396-P454 HydrophobicContact CG-CG 3.57Å; F396-P454 HydrophobicContact CZ-CB 3.48Å; F396-P454 VanDerWaalsContact CZ-CB 3.48Å; F396-P454 HydrophobicContact CZ-CG 4.33Å; P454-N456 PolarHBondContact O-N 2.85Å; P454-L457 PolarHBondContact O-N 2.85Å; P454-L457 VanDerWaalsContact O-N 3.14Å
455	E	38.2	Very low	38.7	Very low	45 Å²	45	88.5 Å²	88.5	21%	0.21	49%	0.488	C	S	.	.	H	α-helix	trans	-70.3	-29.3	179.1	-67.6	129.4	176	0	0	110.4	W235 T453 L457 R458 Y559 R560	W235-E455 VanDerWaalsContact CH2-O 3.31Å; W235-E455 WeakPolarHBondContact CH2-O 3.35Å; W235-E455 WeakPolarHBondContact CZ2-O 3.47Å; T453-E455 VanDerWaalsContact C-N 3.3Å; T453-E455 PolarHBondContact O-N 2.9Å; E455-L457 PolarHBondContact O-N 3.33Å; E455-R458 PolarHBondContact O-N 2.96Å; E455-Y559 HydrophobicContact CB-CD1 4.42Å; E455-Y559 HydrophobicContact CB-CG 4.44Å; E455-Y559 WeakPolarHBondContact OE2-CB 3.09Å; E455-R560 WeakPolarHBondContact OE1-CA 3.35Å; E455-R560 PolarHBondContact OE1-N 2.92Å
456	N	40.6	Very low	40.5	Very low	15 Å²	15	90.5 Å²	90.5	8%	0.08	48%	0.478	C	S	.	.	H	α-helix	trans	-81	24.1	171	-35.1	-19.4	0	0	0	112.8	P234 W235 T453 P454	P234-N456 HydrophobicContact CB-CB 3.84Å; P234-N456 WeakPolarHBondContact CB-ND2 3.44Å; P234-N456 WeakPolarHBondContact CB-OD1 3.24Å; P234-N456 HydrophobicContact CG-CB 3.66Å; P234-N456 WeakPolarHBondContact CG-OD1 3.49Å; P234-N456 WeakPolarHBondContact O-CB 3.49Å; P234-N456 PolarHBondContact O-ND2 3.39Å; W235-N456 HydrophobicContact CD2-CB 4Å; W235-N456 HydrophobicContact CE3-CB 4.28Å; W235-N456 HydrophobicContact CG-CB 4.31Å; W235-N456 VanDerWaalsContact CG-O 3.22Å; W235-N456 VanDerWaalsContact CZ2-C 3.47Å; W235-N456 HydrophobicContact CZ2-CB 4.5Å; W235-N456 PolarHBondContact NE1-O 3.37Å; T453-N456 CarbonylContact O-C 3.58Å; T453-N456 WeakPolarHBondContact O-CA 3.18Å; T453-N456 VanDerWaalsContact O-CB 3.29Å; T453-N456 WeakPolarHBondContact O-CB 2.97Å; T453-N456 PolarHBondContact O-N 3.25Å; T453-N456 PolarHBondContact OG1-ND2 3.18Å; T453-N456 PolarHBondContact OG1-OD1 2.78Å; P454-N456 PolarHBondContact O-N 2.85Å
457	L	37.6	Very low	42.1	Very low	51 Å²	51	91.5 Å²	91.5	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-128.6	-9.9	165	-83	165.9	0	0	0	111.3	W235 F392 F396 P454 E455 T461	W235-L457 VanDerWaalsContact NE1-N 3.2Å; F392-L457 HydrophobicContact CD1-CD1 3.74Å; F392-L457 HydrophobicContact CE1-CD1 3.84Å; F396-L457 HydrophobicContact CE1-CD1 4.28Å; F396-L457 HydrophobicContact CZ-CB 4.23Å; F396-L457 HydrophobicContact CZ-CD1 3.7Å; P454-L457 PolarHBondContact O-N 2.85Å; P454-L457 VanDerWaalsContact O-N 3.14Å; E455-L457 PolarHBondContact O-N 3.33Å; L457-T461 WeakPolarHBondContact O-CB 3.46Å; L457-T461 WeakPolarHBondContact O-CG2 3.48Å; L457-T461 PolarHBondContact O-OG1 2.79Å
458	R	37.9	Very low	43.5	Very low	119 Å²	119	88.1 Å²	88.1	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-95.4	-40.3	-171.9	-76.1	-179	170.2	169.9	-3.4	116.6	E455 T461	E455-R458 PolarHBondContact O-N 2.96Å; R458-T461 PolarHBondContact O-OG1 2.73Å; R458-T461 VanDerWaalsContact O-OG1 3.05Å
459	F	37	Very low	44.9	Very low	131 Å²	131	88.9 Å²	88.9	58%	0.575	44%	0.437	S	S	*	.	H	α-helix	trans	-85.3	-25.9	-179	-73.9	-84.7	0	0	0	115.1	W235 L562	W235-F459 HydrophobicContact CH2-CB 3.65Å; W235-F459 HydrophobicContact CZ2-CB 3.82Å; W235-F459 VanDerWaalsContact CZ2-N 3.32Å; F459-L562 HydrophobicContact CE2-CB 4.14Å; F459-L562 HydrophobicContact CZ-CB 4.34Å
460	F	42.7	Very low	46.7	Very low	56 Å²	56	86.5 Å²	86.5	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-79.2	-22.9	174.2	-162.9	-114.6	0	0	0	112.2	H233 W235 N236 Q464	H233-F460 AromaticContact CE1-CD2 3.57Å; H233-F460 AromaticContact CE1-CE2 3.76Å; W235-F460 HydrophobicContact CB-CB 4.35Å; W235-F460 HydrophobicContact CB-CD1 3.84Å; W235-F460 HydrophobicContact CB-CD2 3.97Å; W235-F460 HydrophobicContact CB-CE1 3.92Å; W235-F460 HydrophobicContact CB-CE2 4.05Å; W235-F460 HydrophobicContact CB-CG 3.88Å; W235-F460 HydrophobicContact CB-CZ 4.03Å; W235-F460 AromaticContact CD1-CD1 3.37Å; W235-F460 AromaticContact CD1-CG 3.4Å; W235-F460 VanDerWaalsContact CD1-CG 3.4Å; W235-F460 HydrophobicContact CD2-CB 3.46Å; W235-F460 VanDerWaalsContact CD2-CB 3.46Å; W235-F460 HydrophobicContact CD2-CD2 4.2Å; W235-F460 AromaticContact CD2-CG 3.94Å; W235-F460 HydrophobicContact CD2-CG 3.94Å; W235-F460 HydrophobicContact CE3-CB 4.35Å; W235-F460 HydrophobicContact CG-CB 3.44Å; W235-F460 VanDerWaalsContact CG-CB 3.44Å; W235-F460 AromaticContact CG-CD1 3.71Å; W235-F460 HydrophobicContact CG-CD1 3.71Å; W235-F460 AromaticContact CG-CD2 3.9Å; W235-F460 HydrophobicContact CG-CD2 3.9Å; W235-F460 HydrophobicContact CG-CE1 4.29Å; W235-F460 HydrophobicContact CG-CE2 4.47Å; W235-F460 AromaticContact CG-CG 3.49Å; W235-F460 HydrophobicContact CG-CG 3.49Å; W235-F460 VanDerWaalsContact CG-CG 3.49Å; W235-F460 HydrophobicContact CZ2-CB 3.91Å; W235-F460 AromaticContact NE1-CG 3.79Å; N236-F460 HydrophobicContact CB-CZ 4.44Å; F460-Q464 HydrophobicContact CD1-CG 4.44Å; F460-Q464 VanDerWaalsContact CZ-NE2 3.31Å; F460-Q464 VanDerWaalsContact O-CB 3.24Å; F460-Q464 WeakPolarHBondContact O-CB 3.39Å; F460-Q464 WeakPolarHBondContact O-CG 3.08Å; F460-Q464 PolarHBondContact O-N 2.81Å
461	T	50.9	Low	47.8	Very low	60 Å²	60	83 Å²	83	37%	0.368	41%	0.411	S	S	.	.	H	α-helix	trans	-78.2	-35.7	-178.9	41.4	0	0	0	0	112.6	L457 R458 K465	L457-T461 WeakPolarHBondContact O-CB 3.46Å; L457-T461 WeakPolarHBondContact O-CG2 3.48Å; L457-T461 PolarHBondContact O-OG1 2.79Å; R458-T461 PolarHBondContact O-OG1 2.73Å; R458-T461 VanDerWaalsContact O-OG1 3.05Å; T461-K465 VanDerWaalsContact O-CA 3.29Å; T461-K465 WeakPolarHBondContact O-CA 3.42Å; T461-K465 WeakPolarHBondContact O-CB 3.37Å; T461-K465 PolarHBondContact O-N 3.28Å
462	E	48.1	Very low	48.8	Very low	99 Å²	99	85.9 Å²	85.9	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-45	-179.6	-86.5	-73.2	126.9	0	0	112.9	K465 F466	E462-K465 IonicContact OE1-NZ 3.15Å; E462-K465 PolarHBondContact OE1-NZ 2.83Å; E462-F466 WeakPolarHBondContact O-CB 3.22Å; E462-F466 PolarHBondContact O-N 2.96Å
463	K	54.3	Low	50.3	Low	150 Å²	150	86.9 Å²	86.9	65%	0.652	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-46.4	176.5	-173.7	-179.7	176.6	-175.5	0	111.7	F466 Q467	K463-F466 PolarHBondContact O-N 2.87Å; K463-Q467 WeakPolarHBondContact O-CB 3.23Å; K463-Q467 WeakPolarHBondContact O-CG 3.28Å; K463-Q467 PolarHBondContact O-N 3.32Å
464	Q	54.4	Low	51.1	Low	55 Å²	55	91.2 Å²	91.2	26%	0.257	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-35.5	177.1	-73.9	-169.5	-23.5	0	0	112.4	F460 Q467 L468	F460-Q464 HydrophobicContact CD1-CG 4.44Å; F460-Q464 VanDerWaalsContact CZ-NE2 3.31Å; F460-Q464 VanDerWaalsContact O-CB 3.24Å; F460-Q464 WeakPolarHBondContact O-CB 3.39Å; F460-Q464 WeakPolarHBondContact O-CG 3.08Å; F460-Q464 PolarHBondContact O-N 2.81Å; Q464-Q467 CarbonylContact O-C 3.58Å; Q464-Q467 PolarHBondContact O-N 2.78Å; Q464-L468 HydrophobicContact CB-CD1 4.47Å; Q464-L468 VanDerWaalsContact O-CB 3.26Å; Q464-L468 WeakPolarHBondContact O-CB 3.38Å; Q464-L468 WeakPolarHBondContact O-CD1 3.29Å; Q464-L468 PolarHBondContact O-N 2.81Å
465	K	51.7	Low	52.1	Low	119 Å²	119	95.3 Å²	95.3	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-41.1	172.3	176.8	-176.6	168.6	-164.3	0	110.4	T461 E462 K469	T461-K465 VanDerWaalsContact O-CA 3.29Å; T461-K465 WeakPolarHBondContact O-CA 3.42Å; T461-K465 WeakPolarHBondContact O-CB 3.37Å; T461-K465 PolarHBondContact O-N 3.28Å; E462-K465 IonicContact OE1-NZ 3.15Å; E462-K465 PolarHBondContact OE1-NZ 2.83Å; K465-K469 WeakPolarHBondContact O-CA 2.99Å; K465-K469 WeakPolarHBondContact O-CB 3.47Å; K465-K469 PolarHBondContact O-N 2.79Å
466	F	60.6	Low	52.9	Low	143 Å²	143	97.1 Å²	97.1	63%	0.627	46%	0.456	S	S	*	.	H	α-helix	trans	-64.9	-42.8	172.3	-107.2	-82.5	0	0	0	111.9	E462 K463 K469 A470	E462-F466 WeakPolarHBondContact O-CB 3.22Å; E462-F466 PolarHBondContact O-N 2.96Å; K463-F466 PolarHBondContact O-N 2.87Å; F466-K469 PolarHBondContact O-N 2.83Å; F466-A470 WeakPolarHBondContact O-CB 3.33Å; F466-A470 PolarHBondContact O-N 2.77Å
467	Q	61.5	Low	53.3	Low	112 Å²	112	98.5 Å²	98.5	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-66.8	-43.8	177.2	-74.4	178	-35.7	0	0	112.5	K463 Q464 A470 S471	K463-Q467 WeakPolarHBondContact O-CB 3.23Å; K463-Q467 WeakPolarHBondContact O-CG 3.28Å; K463-Q467 PolarHBondContact O-N 3.32Å; Q464-Q467 CarbonylContact O-C 3.58Å; Q464-Q467 PolarHBondContact O-N 2.78Å; Q467-A470 PolarHBondContact O-N 2.82Å; Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 2.71Å
468	L	55	Low	53.9	Low	74 Å²	74	99 Å²	99	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-42.9	173.8	-99.1	123	0	0	0	110.8	Q464 A470 S471 W472	Q464-L468 HydrophobicContact CB-CD1 4.47Å; Q464-L468 VanDerWaalsContact O-CB 3.26Å; Q464-L468 WeakPolarHBondContact O-CB 3.38Å; Q464-L468 WeakPolarHBondContact O-CD1 3.29Å; Q464-L468 PolarHBondContact O-N 2.81Å; L468-A470 VanDerWaalsContact C-N 3.34Å; L468-A470 PolarHBondContact O-N 2.89Å; L468-S471 PolarHBondContact O-N 3.48Å; L468-W472 VanDerWaalsContact O-CB 3.25Å; L468-W472 WeakPolarHBondContact O-CB 3.34Å; L468-W472 PolarHBondContact O-N 3.22Å
469	K	59.9	Low	54.3	Low	126 Å²	126	98.4 Å²	98.4	55%	0.548	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-36.4	176.2	-169.2	174.2	-173.6	176.9	0	111.5	K465 F466 K473	K465-K469 WeakPolarHBondContact O-CA 2.99Å; K465-K469 WeakPolarHBondContact O-CB 3.47Å; K465-K469 PolarHBondContact O-N 2.79Å; F466-K469 PolarHBondContact O-N 2.83Å; K469-K473 VanDerWaalsContact O-CB 3.26Å; K469-K473 WeakPolarHBondContact O-CB 3.42Å; K469-K473 VanDerWaalsContact O-CG 3.24Å; K469-K473 WeakPolarHBondContact O-CG 3.45Å; K469-K473 PolarHBondContact O-N 3.42Å
470	A	66	Low	54.6	Low	55 Å²	55	96.2 Å²	96.2	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-45.6	173	0	0	0	0	0	111.5	F466 Q467 L468 K473 Q474	F466-A470 WeakPolarHBondContact O-CB 3.33Å; F466-A470 PolarHBondContact O-N 2.77Å; Q467-A470 PolarHBondContact O-N 2.82Å; L468-A470 VanDerWaalsContact C-N 3.34Å; L468-A470 PolarHBondContact O-N 2.89Å; A470-K473 PolarHBondContact O-N 3.15Å; A470-Q474 WeakPolarHBondContact O-CB 3.3Å; A470-Q474 PolarHBondContact O-N 3.05Å
471	S	60.6	Low	54.4	Low	49 Å²	49	100.6 Å²	100.6	34%	0.343	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-43.6	176.7	-179.1	0	0	0	0	111.9	Q467 L468 Q474 K475	Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 2.71Å; L468-S471 PolarHBondContact O-N 3.48Å; S471-Q474 PolarHBondContact O-N 3.16Å; S471-K475 WeakPolarHBondContact O-CB 3.38Å; S471-K475 WeakPolarHBondContact O-CG 3.07Å; S471-K475 PolarHBondContact O-N 3.47Å
472	W	54.7	Low	53.9	Low	147 Å²	147	101.3 Å²	101.3	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-65.8	-43.7	173.7	-92	65.5	0	0	0	112.1	L468 Q474 K475 V476	L468-W472 VanDerWaalsContact O-CB 3.25Å; L468-W472 WeakPolarHBondContact O-CB 3.34Å; L468-W472 PolarHBondContact O-N 3.22Å; W472-Q474 VanDerWaalsContact C-N 3.26Å; W472-Q474 PolarHBondContact O-N 3.13Å; W472-K475 PolarHBondContact O-N 3.25Å; W472-V476 WeakPolarHBondContact O-CB 3.12Å; W472-V476 VanDerWaalsContact O-CG2 3.24Å; W472-V476 WeakPolarHBondContact O-CG2 3.15Å; W472-V476 PolarHBondContact O-N 2.79Å
473	K	64.6	Low	53.5	Low	146 Å²	146	103.7 Å²	103.7	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-58.6	-39.9	172.8	-83.4	-177.7	173.9	-167.8	0	111.7	K469 A470 A477	K469-K473 VanDerWaalsContact O-CB 3.26Å; K469-K473 WeakPolarHBondContact O-CB 3.42Å; K469-K473 VanDerWaalsContact O-CG 3.24Å; K469-K473 WeakPolarHBondContact O-CG 3.45Å; K469-K473 PolarHBondContact O-N 3.42Å; A470-K473 PolarHBondContact O-N 3.15Å; K473-A477 WeakPolarHBondContact O-CB 3.41Å; K473-A477 PolarHBondContact O-N 2.97Å
474	Q	60	Low	52.6	Low	139 Å²	139	104.6 Å²	104.6	65%	0.65	53%	0.531	S	S	*	.	H	α-helix	trans	-69.4	-43.1	178.2	-168.2	177.1	-0.5	0	0	111.8	A470 S471 W472 A477 S478	A470-Q474 WeakPolarHBondContact O-CB 3.3Å; A470-Q474 PolarHBondContact O-N 3.05Å; S471-Q474 PolarHBondContact O-N 3.16Å; W472-Q474 VanDerWaalsContact C-N 3.26Å; W472-Q474 PolarHBondContact O-N 3.13Å; Q474-A477 PolarHBondContact O-N 3.49Å; Q474-S478 WeakPolarHBondContact O-CB 3.43Å; Q474-S478 PolarHBondContact O-N 3.13Å; Q474-S478 PolarHBondContact O-OG 2.77Å
475	K	58.9	Low	51.6	Low	110 Å²	110	107.1 Å²	107.1	48%	0.478	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-48.1	175.3	-77	178	-179.6	177.3	0	111.5	E332 S471 W472 A477 S478 D479	E332-K475 IonicContact OE1-NZ 3.82Å; S471-K475 WeakPolarHBondContact O-CB 3.38Å; S471-K475 WeakPolarHBondContact O-CG 3.07Å; S471-K475 PolarHBondContact O-N 3.47Å; W472-K475 PolarHBondContact O-N 3.25Å; K475-A477 PolarHBondContact O-N 2.79Å; K475-S478 PolarHBondContact O-N 3.01Å; K475-D479 PolarHBondContact O-N 2.92Å; K475-D479 VanDerWaalsContact O-N 3.09Å
476	V	54.5	Low	50.6	Low	84 Å²	84	109.6 Å²	109.6	51%	0.509	57%	0.568	S	S	.	*	H	α-helix	trans	-64.5	-38.3	178.1	174.7	0	0	0	0	112	W472 D479 T480	W472-V476 WeakPolarHBondContact O-CB 3.12Å; W472-V476 VanDerWaalsContact O-CG2 3.24Å; W472-V476 WeakPolarHBondContact O-CG2 3.15Å; W472-V476 PolarHBondContact O-N 2.79Å; V476-D479 PolarHBondContact O-N 3.03Å; V476-T480 PolarHBondContact O-N 3.23Å; V476-T480 PolarHBondContact O-OG1 3.41Å
477	A	49.1	Very low	49.3	Very low	43 Å²	43	111.9 Å²	111.9	36%	0.355	58%	0.581	S	S	.	*	H	α-helix	trans	-69.3	-31.3	175.6	0	0	0	0	0	113	K473 Q474 K475 T480 Q481	K473-A477 WeakPolarHBondContact O-CB 3.41Å; K473-A477 PolarHBondContact O-N 2.97Å; Q474-A477 PolarHBondContact O-N 3.49Å; K475-A477 PolarHBondContact O-N 2.79Å; A477-T480 WeakPolarHBondContact CA-OG1 3.45Å; A477-T480 PolarHBondContact O-N 3.07Å; A477-T480 PolarHBondContact O-OG1 2.88Å; A477-Q481 WeakPolarHBondContact O-CG 3.41Å; A477-Q481 PolarHBondContact O-N 3.48Å; A477-Q481 VanDerWaalsContact O-N 3.08Å
478	S	49	Very low	47.8	Very low	61 Å²	61	114.1 Å²	114.1	43%	0.427	60%	0.602	S	S	.	*	H	α-helix	trans	-73.1	-33.7	177.2	-54.9	0	0	0	0	111.8	Q474 K475 T480 Q481 S482	Q474-S478 WeakPolarHBondContact O-CB 3.43Å; Q474-S478 PolarHBondContact O-N 3.13Å; Q474-S478 PolarHBondContact O-OG 2.77Å; K475-S478 PolarHBondContact O-N 3.01Å; S478-T480 VanDerWaalsContact C-N 3.3Å; S478-T480 PolarHBondContact O-N 3.47Å; S478-Q481 PolarHBondContact O-N 3.42Å; S478-S482 PolarHBondContact O-N 2.8Å; S478-S482 VanDerWaalsContact O-N 3.12Å; S478-S482 PolarHBondContact O-OG 2.87Å
479	D	46	Very low	46.6	Very low	107 Å²	107	113.5 Å²	113.5	57%	0.572	61%	0.613	S	S	*	*	H	α-helix	trans	-70.7	-25	172.4	-70.3	-16.3	0	0	0	112.4	K475 V476	K475-D479 PolarHBondContact O-N 2.92Å; K475-D479 VanDerWaalsContact O-N 3.09Å; V476-D479 PolarHBondContact O-N 3.03Å
480	T	44.5	Very low	45.3	Very low	85 Å²	85	119 Å²	119	52%	0.521	63%	0.632	S	S	.	*	H	α-helix	trans	-86.3	-23.3	175.1	14.2	0	0	0	0	113.7	V476 A477 S478	V476-T480 PolarHBondContact O-N 3.23Å; V476-T480 PolarHBondContact O-OG1 3.41Å; A477-T480 WeakPolarHBondContact CA-OG1 3.45Å; A477-T480 PolarHBondContact O-N 3.07Å; A477-T480 PolarHBondContact O-OG1 2.88Å; S478-T480 VanDerWaalsContact C-N 3.3Å; S478-T480 PolarHBondContact O-N 3.47Å
481	Q	39.1	Very low	43.5	Very low	149 Å²	149	119.9 Å²	119.9	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-88.8	-22.7	176.7	-74.9	-176.9	-9.1	0	0	113.7	A477 S478	A477-Q481 WeakPolarHBondContact O-CG 3.41Å; A477-Q481 PolarHBondContact O-N 3.48Å; A477-Q481 VanDerWaalsContact O-N 3.08Å; S478-Q481 PolarHBondContact O-N 3.42Å
482	S	39.4	Very low	42.2	Very low	75 Å²	75	126.2 Å²	126.2	52%	0.524	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-13.8	174.3	53.3	0	0	0	0	114	S478	S478-S482 PolarHBondContact O-N 2.8Å; S478-S482 VanDerWaalsContact O-N 3.12Å; S478-S482 PolarHBondContact O-OG 2.87Å
483	L	39.2	Very low	41.2	Very low	148 Å²	148	122.3 Å²	122.3	78%	0.775	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	6.2	178.8	-73.5	172.8	0	0	0	114.9
484	Q	36.1	Very low	39.8	Very low	169 Å²	169	121.7 Å²	121.7	79%	0.79	67%	0.673	S	S	*	*	S	Bend	trans	-114.3	6.9	177.6	-71.8	-170.8	-12.2	0	0	114.4
485	S	33	Very low	38.7	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	68%	0.676	S	S	*	*	S	Bend	trans	-113.3	9.5	-178.9	-80.3	0	0	0	0	115.6
486	E	31.7	Very low	37.5	Very low	172 Å²	172	124.6 Å²	124.6	80%	0.804	69%	0.692	S	S	*	*	S	Bend	trans	-132.4	129.6	175	-67.8	-175.1	139.3	0	0	110.5
487	Q	33	Very low	36.6	Very low	191 Å²	191	124.6 Å²	124.6	89%	0.893	70%	0.696	S	S	*	*			trans	82.7	85.5	176.7	-61.9	-173.9	-25.4	0	0	118.9
488	V	30	Very low	35.9	Very low	159 Å²	159	131.6 Å²	131.6	96%	0.964	72%	0.721	S	S	*	*			trans	-135.3	112	136.2	179.5	0	0	0	0	107.8
489	G	29.2	Very low	35.1	Very low	60 Å²	60	132.5 Å²	132.5	62%	0.619	74%	0.739	S	S	*	*			trans	-159.1	114.5	174.8	0	0	0	0	0	111.3
490	Y	32.3	Very low	34.2	Very low	243 Å²	243	137.1 Å²	137.1	95%	0.953	76%	0.758	S	S	*	*			trans	63.5	125	166.7	-69	-90.9	0	0	0	116.9
491	G	28.5	Very low	33.7	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	77%	0.766	S	S	*	*			cis	142.6	127.3	7.4	0	0	0	0	0	108.3
492	H	32.3	Very low	33.3	Very low	182 Å²	182	134.8 Å²	134.8	84%	0.843	77%	0.767	S	S	*	*			trans	-168.1	145	141.4	-149.8	-64.6	0	0	0	110.4
493	A	34.1	Very low	33	Very low	65 Å²	65	139.5 Å²	139.5	54%	0.537	78%	0.78	S	S	.	*			trans	-51.7	169.6	-178.3	0	0	0	0	0	116.5
494	D	35.5	Very low	32.5	Very low	134 Å²	134	138 Å²	138	72%	0.717	78%	0.782	S	S	*	*			cis	-158.5	161.4	38.6	-76.3	-66.1	0	0	0	112.1
495	D	37.1	Very low	32.4	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	79%	0.785	S	S	*	*			trans	72.5	117.5	147.5	-74.2	-17.7	0	0	0	124.7
496	E	34.2	Very low	32.1	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	79%	0.79	S	S	*	*				49.4	137.8	126.5	-62.6	-163.6	149.4	0	0	119.8
497	S	36	Very low	32	Very low	84 Å²	84	140.8 Å²	140.8	59%	0.587	80%	0.795	S	S	*	*			cis	-177.5	157.7	2.5	54	0	0	0	0	108.4
498	H	34.1	Very low	31.8	Very low	191 Å²	191	142.8 Å²	142.8	88%	0.884	80%	0.795	S	S	*	*			trans	60.3	131.3	154.4	-59.4	-57.1	0	0	0	122.9
499	G	31.9	Very low	31.8	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	79%	0.793	S	S	*	*			trans	145.6	100.2	142	0	0	0	0	0	116.1
500	E	27.7	Very low	31.6	Very low	205 Å²	205	146.2 Å²	146.2	96%	0.958	79%	0.794	S	S	*	*			trans	-65	155.4	178.5	-62	175.1	127.9	0	0	115.4
501	G	32.3	Very low	31.3	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	79%	0.787	S	S	*	*			trans	128.7	140.8	152.3	0	0	0	0	0	114.2
502	V	32.2	Very low	31.4	Very low	116 Å²	116	150.9 Å²	150.9	70%	0.703	79%	0.788	S	S	*	*			cis	-176.7	143.6	7.9	144.7	0	0	0	0	105.9
503	H	31.7	Very low	31.1	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.806	79%	0.786	S	S	*	*			trans	62.4	114.8	160.5	-57.3	-28.6	0	0	0	120.7
504	S	29.2	Very low	30.8	Very low	118 Å²	118	153.9 Å²	153.9	83%	0.825	79%	0.794	S	S	*	*				76.2	100.5	59.8	-177.5	0	0	0	0	115.8
505	A	33.3	Very low	30.5	Very low	103 Å²	103	154 Å²	154	85%	0.851	80%	0.795	S	S	*	*			trans	-171.6	101.5	130.6	0	0	0	0	0	111.1
506	N	26.7	Very low	30.1	Very low	158 Å²	158	157.1 Å²	157.1	85%	0.845	81%	0.806	S	S	*	*			trans	-129.2	112.9	171.3	-148.5	-5.1	0	0	0	107.8
507	R	30.2	Very low	29.7	Very low	245 Å²	245	159.8 Å²	159.8	93%	0.925	81%	0.808	S	S	*	*			trans	-139.7	93.7	167.2	-97.5	-163.4	-172.1	-158.3	3.9	112.1
508	R	29	Very low	29.3	Very low	233 Å²	233	161.3 Å²	161.3	88%	0.879	82%	0.816	S	S	*	*			trans	-4.2	131.5	144.4	-55.4	176.6	-152	169.4	6.2	117
509	K	29.7	Very low	28.9	Very low	215 Å²	215	157 Å²	157	94%	0.935	81%	0.814	S	S	*	*			trans	-129	111	135.7	-76.4	-174.6	179	178	0	108.7
510	A	25.4	Very low	28.8	Very low	76 Å²	76	158.4 Å²	158.4	63%	0.628	81%	0.811	S	S	*	*			trans	-106.3	170.8	164.1	0	0	0	0	0	108.5
511	W	26.5	Very low	28.9	Very low	212 Å²	212	155 Å²	155	80%	0.803	80%	0.798	S	S	*	*			trans	94.7	129.3	173.6	-56.7	111.5	0	0	0	114.5
512	R	29.6	Very low	28.7	Very low	202 Å²	202	157 Å²	157	76%	0.762	80%	0.798	S	S	*	*			cis	-153.5	162	10.9	-67.5	-154.1	-176.9	-98.2	-1.3	112.8
513	H	26.4	Very low	28.6	Very low	177 Å²	177	157.8 Å²	157.8	82%	0.819	80%	0.798	S	S	*	*			trans	-60.8	169.5	165.5	-129.3	-97.6	0	0	0	114.9
514	N	27.4	Very low	28.5	Very low	132 Å²	132	154.4 Å²	154.4	71%	0.706	79%	0.79	S	S	*	*			trans	86.7	133.7	169.4	-86.4	29.5	0	0	0	116.7
515	D	30.8	Very low	28.6	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	78%	0.778	S	S	*	*			cis	-146.3	145.7	24.7	-76.3	-51.4	0	0	0	111.9
516	Q	26.9	Very low	28.3	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.6	125.4	169	-75.5	174.9	-12.5	0	0	110.7
517	R	26.8	Very low	28.5	Very low	229 Å²	229	144.7 Å²	144.7	86%	0.864	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-103.1	131.7	169.7	-161.2	178.6	-154.8	169.5	5	109.3
518	P	27.2	Very low	28.4	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-68.9	141.2	173.8	-7.8	23.2	0	0	0	109.9	S520	P518-S520 PolarHBondContact O-N 3.39Å; P518-S520 VanDerWaalsContact O-N 3.09Å
519	A	26.4	Very low	28.2	Very low	102 Å²	102	134.5 Å²	134.5	84%	0.843	72%	0.72	S	S	*	*			trans	-57.2	111	175.5	0	0	0	0	0	110.8
520	S	29.8	Very low	28.2	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-71.9	128.2	169.3	36.9	0	0	0	0	110	P518	P518-S520 PolarHBondContact O-N 3.39Å; P518-S520 VanDerWaalsContact O-N 3.09Å
521	I	29.6	Very low	28.3	Very low	134 Å²	134	133.6 Å²	133.6	69%	0.687	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-55.9	134.4	176.5	-60.7	162.8	0	0	0	109.5	L523	I521-L523 PolarHBondContact O-N 3.11Å
522	P	27.1	Very low	28.4	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-71.2	118.4	175.1	28.1	-30.3	0	0	0	109.6	T524	P522-T524 PolarHBondContact O-N 2.76Å; P522-T524 VanDerWaalsContact O-N 3.17Å
523	L	31.3	Very low	28.3	Very low	134 Å²	134	133.1 Å²	133.1	70%	0.702	72%	0.718	S	S	*	*			trans	-66.9	108.1	164.1	-76.8	166.8	0	0	0	107.8	M79 I521 S525	M79-L523 HydrophobicContact CE-CD1 3.77Å; M79-L523 HydrophobicContact SD-CD1 3.6Å; I521-L523 PolarHBondContact O-N 3.11Å; L523-S525 PolarHBondContact O-N 2.85Å
524	T	30.3	Very low	28.4	Very low	103 Å²	103	133.8 Å²	133.8	63%	0.632	72%	0.722	S	S	*	*			trans	-70	108.1	172	46.3	0	0	0	0	109.6	P522 G526	P522-T524 PolarHBondContact O-N 2.76Å; P522-T524 VanDerWaalsContact O-N 3.17Å; T524-G526 PolarHBondContact O-N 2.75Å
525	S	30.3	Very low	28.3	Very low	82 Å²	82	132.7 Å²	132.7	57%	0.573	72%	0.72	S	S	*	*			trans	-60.3	107.9	164.6	169.9	0	0	0	0	109.6	L523	L523-S525 PolarHBondContact O-N 2.85Å
526	G	27.8	Very low	28.3	Very low	54 Å²	54	133 Å²	133	56%	0.557	72%	0.721	S	S	*	*			trans	-108.7	83.7	164.7	0	0	0	0	0	108.8	T524	T524-G526 PolarHBondContact O-N 2.75Å
527	G	30	Very low	28.3	Very low	38 Å²	38	133.4 Å²	133.4	39%	0.392	72%	0.72	S	S	.	*			trans	-130.1	115.3	175.8	0	0	0	0	0	110.1	M529	G527-M529 PolarHBondContact O-N 2.8Å
528	I	29.2	Very low	28.3	Very low	101 Å²	101	129 Å²	129	52%	0.518	71%	0.714	S	S	.	*			trans	-55.9	125.9	172.5	-65.5	156	0	0	0	109	E530 A583 F585	I528-E530 HydrophobicContact CG2-CG 4.37Å; I528-E530 PolarHBondContact O-N 2.68Å; I528-A583 HydrophobicContact CG1-CB 4.18Å; I528-F585 HydrophobicContact CD1-CE1 4.47Å; I528-F585 HydrophobicContact CD1-CE2 4.42Å; I528-F585 HydrophobicContact CD1-CZ 3.64Å; I528-F585 HydrophobicContact CG1-CE2 4.27Å; I528-F585 HydrophobicContact CG1-CZ 3.98Å
529	M	24.9	Very low	28.4	Very low	164 Å²	164	131.6 Å²	131.6	81%	0.808	71%	0.71	S	S	*	*			trans	-69.4	111.3	167.9	-93.2	-179.6	68.6	0	0	109.2	G527	G527-M529 PolarHBondContact O-N 2.8Å
530	E	29.1	Very low	28.3	Very low	136 Å²	136	135.5 Å²	135.5	64%	0.636	72%	0.716	S	S	*	*			trans	-116.6	111	156.6	-79	-178.9	169.5	0	0	108.4	I528 F532	I528-E530 HydrophobicContact CG2-CG 4.37Å; I528-E530 PolarHBondContact O-N 2.68Å; E530-F532 HydrophobicContact CB-CD2 4.1Å; E530-F532 HydrophobicContact CB-CE2 4.05Å; E530-F532 PolarHBondContact O-N 3.29Å; E530-F532 VanDerWaalsContact O-N 3.13Å; E530-F532 WeakPolarHBondContact OE2-CE2 3.27Å
531	T	27.4	Very low	28.1	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	72%	0.72	S	S	*	*			trans	-65.2	101.7	165.3	31.2	0	0	0	0	109.3
532	F	27.9	Very low	27.9	Very low	175 Å²	175	133.3 Å²	133.3	77%	0.768	71%	0.712	S	S	*	*			trans	-89.7	118.7	168.1	-93.2	-90.7	0	0	0	110.7	E530	E530-F532 HydrophobicContact CB-CD2 4.1Å; E530-F532 HydrophobicContact CB-CE2 4.05Å; E530-F532 PolarHBondContact O-N 3.29Å; E530-F532 VanDerWaalsContact O-N 3.13Å; E530-F532 WeakPolarHBondContact OE2-CE2 3.27Å
533	R	27.6	Very low	27.7	Very low	229 Å²	229	137 Å²	137	86%	0.864	72%	0.717	S	S	*	*			trans	-87.3	142.4	156.8	-84.2	-169	-172.9	-179.5	3.9	109	T535	R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 3.09Å; R533-T535 VanDerWaalsContact O-N 3.09Å
534	E	28.4	Very low	27.3	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	73%	0.725	S	S	*	*	S	Bend	trans	-87.4	55.9	-166.3	-156.4	162.7	-152.2	0	0	111.8
535	T	26.7	Very low	27.2	Very low	109 Å²	109	139.7 Å²	139.7	67%	0.669	74%	0.735	S	S	*	*			trans	-162.4	103.3	171.8	44.8	0	0	0	0	109	R533	R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 3.09Å; R533-T535 VanDerWaalsContact O-N 3.09Å
536	D	30.3	Very low	26.8	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	75%	0.748	S	S	*	*			trans	162.2	108.2	140.6	-78.8	-18.2	0	0	0	109.4	D538	D536-D538 VanDerWaalsContact C-N 3.29Å; D536-D538 PolarHBondContact O-N 3.4Å
537	K	27	Very low	26.7	Very low	209 Å²	209	147.9 Å²	147.9	91%	0.909	76%	0.76	S	S	*	*			trans	-84	9.7	-172.5	-81.9	-177.2	172.4	178.3	0	114.3
538	D	26.4	Very low	26.5	Very low	137 Å²	137	151.5 Å²	151.5	73%	0.733	78%	0.78	S	S	*	*			trans	-134.5	54.9	-164.4	-65.4	-40.6	0	0	0	114.7	D536	D536-D538 VanDerWaalsContact C-N 3.29Å; D536-D538 PolarHBondContact O-N 3.4Å
539	Y	28.4	Very low	26.2	Very low	170 Å²	170	150.7 Å²	150.7	67%	0.667	79%	0.788	S	S	*	*			trans	-147.3	17	172.5	-84.4	-74.6	0	0	0	116.8	S541	Y539-S541 PolarHBondContact O-N 3.08Å
540	L	26.2	Very low	26.3	Very low	184 Å²	184	149.1 Å²	149.1	96%	0.963	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	46.4	-171.5	-66.8	178.6	0	0	0	115.9
541	S	25.3	Very low	26.1	Very low	120 Å²	120	150.4 Å²	150.4	84%	0.839	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	5.2	173	58.2	0	0	0	0	116.3	Y539	Y539-S541 PolarHBondContact O-N 3.08Å
542	S	23.6	Very low	26.3	Very low	75 Å²	75	148 Å²	148	52%	0.524	80%	0.8	S	S	.	*			trans	-150.6	69.7	-170.7	60.2	0	0	0	0	115.1
543	F	24.9	Very low	26.6	Very low	185 Å²	185	146.8 Å²	146.8	81%	0.811	80%	0.797	S	S	*	*			trans	-143.9	80.6	161.1	-74.4	-72.9	0	0	0	111.3
544	L	22.7	Very low	26.9	Very low	166 Å²	166	137.1 Å²	137.1	87%	0.869	77%	0.768	S	S	*	*			trans	-79.9	124.2	150.2	-74.7	163.5	0	0	0	106.6	Q546	L544-Q546 PolarHBondContact O-N 3.28Å
545	P	26.6	Very low	27.4	Very low	129 Å²	129	134.5 Å²	134.5	84%	0.838	75%	0.754	S	S	*	*			trans	-77.2	113.3	172.2	-7.7	24.5	0	0	0	109.1
546	Q	23.6	Very low	28	Very low	180 Å²	180	132.1 Å²	132.1	84%	0.841	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67	142.1	163.6	-74.2	-154	-34.4	0	0	110	L544 S548	L544-Q546 PolarHBondContact O-N 3.28Å; Q546-S548 PolarHBondContact O-N 2.93Å
547	P	24.9	Very low	28.5	Very low	127 Å²	127	129.1 Å²	129.1	83%	0.825	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-80.6	116.6	-177.8	31.6	-29.9	0	0	0	110.2
548	S	26.1	Very low	29.1	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-98.6	123.2	164.9	60.7	0	0	0	0	109.7	Q546	Q546-S548 PolarHBondContact O-N 2.93Å
549	A	23.3	Very low	29.8	Very low	83 Å²	83	119.7 Å²	119.7	69%	0.686	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-62.3	125.2	-174.3	0	0	0	0	0	113.5
550	C	26.5	Very low	30.4	Very low	131 Å²	131	119 Å²	119	89%	0.885	68%	0.675	S	S	*	*			trans	-148	114.1	158.1	-81.6	0	0	0	0	107.8
551	Q	25.2	Very low	31.1	Very low	164 Å²	164	112.8 Å²	112.8	77%	0.766	65%	0.647	S	S	*	*			trans	-80.4	143.6	-175.8	-65.8	-176	-14	0	0	111.6
552	G	30.5	Very low	31.7	Very low	84 Å²	84	110 Å²	110	87%	0.866	62%	0.622	S	S	*	*	S	Bend	trans	102.6	-16.8	143.9	0	0	0	0	0	121.4
553	E	35.3	Very low	32.5	Very low	150 Å²	150	108.1 Å²	108.1	70%	0.701	61%	0.614	S	S	*	*			trans	-109.1	10.6	-159.8	-62.4	-160.3	141.3	0	0	118.3	F555	E553-F555 PolarHBondContact O-N 3.39Å
554	G	32.9	Very low	33.1	Very low	25 Å²	25	103.2 Å²	103.2	26%	0.258	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-6.7	-165.2	0	0	0	0	0	119.8
555	F	38.9	Very low	34.1	Very low	137 Å²	137	101.5 Å²	101.5	60%	0.601	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-15.7	-174.5	-77.3	-82.9	0	0	0	114.9	E553	E553-F555 PolarHBondContact O-N 3.39Å
556	A	39.8	Very low	35	Very low	59 Å²	59	101.1 Å²	101.1	49%	0.488	60%	0.595	S	S	.	*	S	Bend	trans	-79.8	-21.5	-177.8	0	0	0	0	0	113.5
557	D	40.3	Very low	35.6	Very low	82 Å²	82	97 Å²	97	44%	0.439	59%	0.591	S	S	.	*	H	α-helix	trans	-81.4	-16.6	-171.5	-68.7	-29.7	0	0	0	115.1	Y559 R560 S561	D557-Y559 VanDerWaalsContact C-N 3.3Å; D557-Y559 PolarHBondContact O-N 3.17Å; D557-R560 PolarHBondContact O-N 2.95Å; D557-S561 PolarHBondContact O-N 2.77Å; D557-S561 VanDerWaalsContact O-N 3.14Å; D557-S561 PolarHBondContact O-OG 2.79Å; D557-S561 VanDerWaalsContact O-OG 3.05Å
558	Y	40.3	Very low	36.3	Very low	89 Å²	89	96 Å²	96	35%	0.349	59%	0.585	S	S	.	*	H	α-helix	trans	-61.5	-39.2	178.3	176.6	-106.2	0	0	0	112.1	S561 I584	Y558-S561 PolarHBondContact O-OG 2.96Å; Y558-I584 HydrophobicContact CD2-CD1 4.2Å
559	Y	41.2	Very low	37.2	Very low	58 Å²	58	95.5 Å²	95.5	23%	0.227	58%	0.579	C	S	.	*	H	α-helix	trans	-91	-29.2	180	-67.6	-73.8	0	0	0	112.7	P234 E455 D557 S561 L562	P234-Y559 HydrophobicContact CG-CE1 4.41Å; E455-Y559 HydrophobicContact CB-CD1 4.42Å; E455-Y559 HydrophobicContact CB-CG 4.44Å; E455-Y559 WeakPolarHBondContact OE2-CB 3.09Å; D557-Y559 VanDerWaalsContact C-N 3.3Å; D557-Y559 PolarHBondContact O-N 3.17Å; Y559-S561 VanDerWaalsContact C-N 3.34Å; Y559-S561 PolarHBondContact O-N 2.8Å; Y559-L562 PolarHBondContact O-N 2.79Å; Y559-L562 VanDerWaalsContact O-N 3.17Å
560	R	40.1	Very low	37.8	Very low	157 Å²	157	97 Å²	97	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-60.9	-38.3	172.9	-86.8	-174.8	-174.5	175.3	2.6	113.4	E455 D557 L562 G563	E455-R560 WeakPolarHBondContact OE1-CA 3.35Å; E455-R560 PolarHBondContact OE1-N 2.92Å; D557-R560 PolarHBondContact O-N 2.95Å; R560-L562 PolarHBondContact O-N 3.26Å; R560-G563 PolarHBondContact O-N 3.23Å; R560-G563 VanDerWaalsContact O-N 3.16Å
561	S	41.5	Very low	38.5	Very low	53 Å²	53	94.5 Å²	94.5	37%	0.371	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.3	-9.7	179.4	57.4	0	0	0	0	114	D557 Y558 Y559 L581	D557-S561 PolarHBondContact O-N 2.77Å; D557-S561 VanDerWaalsContact O-N 3.14Å; D557-S561 PolarHBondContact O-OG 2.79Å; D557-S561 VanDerWaalsContact O-OG 3.05Å; Y558-S561 PolarHBondContact O-OG 2.96Å; Y559-S561 VanDerWaalsContact C-N 3.34Å; Y559-S561 PolarHBondContact O-N 2.8Å; S561-L581 WeakPolarHBondContact O-CD2 3.44Å
562	L	37.3	Very low	39.1	Very low	61 Å²	61	93.9 Å²	93.9	32%	0.319	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.7	5.9	175.4	-59.8	173.4	0	0	0	112.6	F459 Y559 R560 L581	F459-L562 HydrophobicContact CE2-CB 4.14Å; F459-L562 HydrophobicContact CZ-CB 4.34Å; Y559-L562 PolarHBondContact O-N 2.79Å; Y559-L562 VanDerWaalsContact O-N 3.17Å; R560-L562 PolarHBondContact O-N 3.26Å; L562-L581 HydrophobicContact CD2-CD1 3.89Å; L562-L581 HydrophobicContact CD2-CD2 3.97Å
563	G	40.3	Very low	39.2	Very low	35 Å²	35	98.4 Å²	98.4	36%	0.361	59%	0.59	S	S	.	*	S	Bend	trans	-64.6	146.9	177.3	0	0	0	0	0	112.6	R560 T565	R560-G563 PolarHBondContact O-N 3.23Å; R560-G563 VanDerWaalsContact O-N 3.16Å; G563-T565 PolarHBondContact O-N 2.66Å
564	P	37.8	Very low	39.3	Very low	83 Å²	83	97.2 Å²	97.2	54%	0.539	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-61.6	129.4	177.8	25.1	-31.6	0	0	0	110.3
565	T	44.3	Very low	39.3	Very low	129 Å²	129	105 Å²	105	79%	0.791	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-54.1	138.2	169.6	29.7	0	0	0	0	109.9	G563 A567	G563-T565 PolarHBondContact O-N 2.66Å; T565-A567 PolarHBondContact O-N 3.05Å
566	P	44.4	Very low	38.9	Very low	122 Å²	122	106.8 Å²	106.8	79%	0.792	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.4	141	176.1	21.3	-30.1	0	0	0	110.3
567	A	37.7	Very low	38.4	Very low	92 Å²	92	109 Å²	109	76%	0.76	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.4	133.5	179.7	0	0	0	0	0	110.3	T565	T565-A567 PolarHBondContact O-N 3.05Å
568	P	39.4	Very low	37.9	Very low	107 Å²	107	109.2 Å²	109.2	70%	0.695	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62.8	146.3	176.6	24.8	-31.9	0	0	0	110.3
569	P	43.7	Very low	37.5	Very low	105 Å²	105	109.3 Å²	109.3	68%	0.682	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.6	140.9	175.6	21.9	-30.3	0	0	0	111	G571	P569-G571 PolarHBondContact O-N 2.79Å
570	A	37.3	Very low	37	Very low	113 Å²	113	110.8 Å²	110.8	93%	0.934	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	123.9	-178.9	0	0	0	0	0	111.5
571	G	39.5	Very low	36.5	Very low	79 Å²	79	108.3 Å²	108.3	81%	0.814	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.2	1.9	167.2	0	0	0	0	0	117.7	P569	P569-G571 PolarHBondContact O-N 2.79Å
572	Q	38.6	Very low	35.9	Very low	152 Å²	152	110.6 Å²	110.6	71%	0.71	70%	0.703	S	S	*	*			trans	-127.4	117.4	177.7	-79.2	172.3	-22.2	0	0	112.5	V574	Q572-V574 HydrophobicContact CB-CG2 4.45Å; Q572-V574 PolarHBondContact O-N 3.39Å
573	N	33	Very low	35.5	Very low	179 Å²	179	110.2 Å²	110.2	96%	0.957	71%	0.709	S	S	*	*			trans	-73.1	109.4	170.6	-73	-35.1	0	0	0	109.2
574	V	36.1	Very low	35	Very low	125 Å²	125	113.8 Å²	113.8	76%	0.758	72%	0.718	S	S	*	*			trans	-127.7	130	171.6	-168.3	0	0	0	0	109.4	Q572	Q572-V574 HydrophobicContact CB-CG2 4.45Å; Q572-V574 PolarHBondContact O-N 3.39Å
575	Q	33.2	Very low	34.6	Very low	188 Å²	188	117.5 Å²	117.5	88%	0.879	73%	0.727	S	S	*	*			trans	-62	132.9	179.6	-71.2	-179.5	-65.7	0	0	111	S577	Q575-S577 PolarHBondContact O-N 3.06Å
576	I	30.7	Very low	34.1	Very low	175 Å²	175	115.9 Å²	115.9	90%	0.897	72%	0.716	S	S	*	*			trans	-72.3	114.4	177	-57.4	170.9	0	0	0	108.4
577	S	30.4	Very low	33.5	Very low	104 Å²	104	114.6 Å²	114.6	73%	0.727	72%	0.716	S	S	*	*			trans	-112.9	127.9	169	176.2	0	0	0	0	109	Q575 A579	Q575-S577 PolarHBondContact O-N 3.06Å; S577-A579 PolarHBondContact O-N 2.88Å
578	S	29.9	Very low	33.1	Very low	87 Å²	87	114.7 Å²	114.7	61%	0.608	70%	0.701	S	S	*	*			trans	-79.3	112.7	179.3	50.8	0	0	0	0	110.8
579	A	30.7	Very low	32.7	Very low	92 Å²	92	116.2 Å²	116.2	76%	0.76	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-83	144	171.3	0	0	0	0	0	111.4	S577	S577-A579 PolarHBondContact O-N 2.88Å
580	P	31.5	Very low	32	Very low	89 Å²	89	120.9 Å²	120.9	58%	0.578	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-77.5	151.3	177.8	-1.4	18.9	0	0	0	112.8
581	L	30.4	Very low	31.7	Very low	104 Å²	104	120 Å²	120	55%	0.545	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-71	154.9	-175.8	-69.2	163.5	0	0	0	114.5	S561 L562	S561-L581 WeakPolarHBondContact O-CD2 3.44Å; L562-L581 HydrophobicContact CD2-CD1 3.89Å; L562-L581 HydrophobicContact CD2-CD2 3.97Å
582	P	27.6	Very low	31.4	Very low	102 Å²	102	125 Å²	125	66%	0.662	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-76	150.5	176.8	-1.3	18.3	0	0	0	113.2
583	A	29.6	Very low	31.2	Very low	53 Å²	53	123.2 Å²	123.2	44%	0.438	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-80.4	137.7	175.7	0	0	0	0	0	112.5	I528 F585	I528-A583 HydrophobicContact CG1-CB 4.18Å; A583-F585 HydrophobicContact CB-CE2 4.5Å
584	I	29.4	Very low	31.3	Very low	109 Å²	109	118.7 Å²	118.7	56%	0.559	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-88.5	120.8	178.4	-59.7	171.2	0	0	0	109.8	Y558 V586	Y558-I584 HydrophobicContact CD2-CD1 4.2Å; I584-V586 HydrophobicContact CG2-CG2 4.31Å
585	F	28.5	Very low	31.2	Very low	162 Å²	162	117.7 Å²	117.7	71%	0.711	65%	0.654	S	S	*	*			trans	-113.3	136.2	169.2	-72.7	-84.2	0	0	0	109.8	I528 A583	I528-F585 HydrophobicContact CD1-CE1 4.47Å; I528-F585 HydrophobicContact CD1-CE2 4.42Å; I528-F585 HydrophobicContact CD1-CZ 3.64Å; I528-F585 HydrophobicContact CG1-CE2 4.27Å; I528-F585 HydrophobicContact CG1-CZ 3.98Å; A583-F585 HydrophobicContact CB-CE2 4.5Å
586	V	35.5	Very low	31.4	Very low	95 Å²	95	114.4 Å²	114.4	58%	0.576	65%	0.647	S	S	*	*			trans	-142.8	127	169	-175.6	0	0	0	0	111	I584	I584-V586 HydrophobicContact CG2-CG2 4.31Å
587	A	30.8	Very low	31.6	Very low	95 Å²	95	111.3 Å²	111.3	79%	0.785	63%	0.631	S	S	*	*			trans	-91.9	168.6	-176.2	0	0	0	0	0	114.1
588	E	30.5	Very low	31.7	Very low	94 Å²	94	114.5 Å²	114.5	44%	0.439	63%	0.627	S	S	.	*			trans	-95.2	128.6	-169.6	-61	-174.2	116.1	0	0	114.6	M144 R146	M144-E588 WeakPolarHBondContact CE-OE1 3.36Å; R146-E588 IonicContact CZ-OE1 3.89Å; R146-E588 VanDerWaalsContact NH1-CD 3.33Å; R146-E588 VanDerWaalsContact NH1-CG 3.32Å; R146-E588 IonicContact NH1-OE1 2.79Å; R146-E588 PolarHBondContact NH1-OE1 3.26Å; R146-E588 IonicContact NH2-OE1 3.6Å; R146-E588 PolarHBondContact NH2-OE1 3.09Å
589	E	29	Very low	32	Very low	138 Å²	138	118.5 Å²	118.5	65%	0.645	64%	0.636	S	S	*	*			trans	-143.9	108.6	151.4	-80.5	-169.1	159.1	0	0	110
590	K	30.7	Very low	32.2	Very low	203 Å²	203	121.6 Å²	121.6	88%	0.883	64%	0.635	S	S	*	*			trans	167.3	71.4	149.3	-93.5	174.1	-174.2	-176.4	0	110.1
591	L	30.1	Very low	32.2	Very low	94 Å²	94	124.8 Å²	124.8	49%	0.492	65%	0.646	S	S	.	*			trans	-115.2	74.5	173.4	-96.7	160.8	0	0	0	109.4	M144	M144-L591 HydrophobicContact CE-CD1 3.85Å; M144-L591 HydrophobicContact CE-CD2 4.42Å; M144-L591 HydrophobicContact CE-CG 4.39Å
592	H	33	Very low	32.1	Very low	186 Å²	186	125 Å²	125	86%	0.861	66%	0.656	S	S	*	*	S	Bend	trans	-143.7	3.6	166.7	-84.5	90.6	0	0	0	113.5
593	T	35.5	Very low	32.2	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	67%	0.667	S	S	*	*	S	Bend	trans	-119.3	-5	-172.5	-18.9	0	0	0	0	114.3
594	L	35	Very low	32	Very low	83 Å²	83	132.8 Å²	132.8	44%	0.435	69%	0.686	S	S	.	*	S	Bend	trans	-101.9	-9.8	-176.4	-81.3	170.8	0	0	0	115.2	V596 L597	L594-V596 VanDerWaalsContact C-N 3.25Å; L594-V596 PolarHBondContact O-N 3.49Å; L594-L597 HydrophobicContact CD2-CD1 4.5Å
595	D	33.8	Very low	32.1	Very low	105 Å²	105	133 Å²	133	56%	0.561	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-14.7	175.1	-74.6	-40.2	0	0	0	113.4	R598	D595-R598 IonicContact OD1-NH1 2.85Å
596	V	36.7	Very low	32	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.715	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-18.2	178.6	-178.7	0	0	0	0	112.6	L594	L594-V596 VanDerWaalsContact C-N 3.25Å; L594-V596 PolarHBondContact O-N 3.49Å
597	L	34.7	Very low	31.5	Very low	111 Å²	111	135.7 Å²	135.7	58%	0.581	71%	0.714	S	S	*	*	S	Bend	trans	-95.7	-6	177.3	-72.3	171.9	0	0	0	113.8	L594 H599	L594-L597 HydrophobicContact CD2-CD1 4.5Å; L597-H599 VanDerWaalsContact C-N 3.3Å; L597-H599 PolarHBondContact O-N 3.17Å
598	R	33.3	Very low	31.3	Very low	170 Å²	170	137.4 Å²	137.4	64%	0.642	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	-178.5	-128.4	174	-173.7	158.6	-3.4	114.2	D595	D595-R598 IonicContact OD1-NH1 2.85Å
599	H	36.2	Very low	31	Very low	171 Å²	171	138.7 Å²	138.7	79%	0.792	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	1.9	180	-96.7	-69.4	0	0	0	114.9	L597	L597-H599 VanDerWaalsContact C-N 3.3Å; L597-H599 PolarHBondContact O-N 3.17Å
600	Q	34.4	Very low	30.9	Very low	157 Å²	157	136 Å²	136	73%	0.734	74%	0.736	S	S	*	*	S	Bend	trans	-117.3	3.2	-174.1	-69.7	-71.4	-6.9	0	0	114.2
601	L	32	Very low	30.7	Very low	157 Å²	157	133.4 Å²	133.4	82%	0.822	73%	0.732	S	S	*	*			trans	-132.2	59.2	-179	-68.9	170.2	0	0	0	110.7
602	S	27.6	Very low	30.6	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	74%	0.741	S	S	*	*			trans	-117.9	78.5	169.5	-65.2	0	0	0	0	108.9
603	E	28.9	Very low	30.3	Very low	192 Å²	192	135.3 Å²	135.3	90%	0.897	74%	0.739	S	S	*	*			trans	-117.5	123.5	161.4	-74.9	-144.3	160.1	0	0	109.5
604	P	26.5	Very low	29.8	Very low	128 Å²	128	134.3 Å²	134.3	83%	0.831	74%	0.737	S	S	*	*			trans	-92.1	114.6	174.6	33.4	-25.6	0	0	0	109.5
605	S	30.6	Very low	29.4	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	76%	0.756	S	S	*	*			trans	-101.5	107.1	165.4	62.8	0	0	0	0	109.9
606	S	26.1	Very low	29.1	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	76%	0.763	S	S	*	*			trans	-72.8	133.2	172.5	43.2	0	0	0	0	111.9
607	F	26	Very low	28.5	Very low	211 Å²	211	142.6 Å²	142.6	93%	0.925	77%	0.773	S	S	*	*			trans	-119.3	109.7	152.8	-96.1	-87.5	0	0	0	106.7
608	T	26.1	Very low	28	Very low	130 Å²	130	148.3 Å²	148.3	80%	0.798	79%	0.788	S	S	*	*			trans	-107.7	122.7	174.3	49.1	0	0	0	0	110
609	S	24.8	Very low	27.6	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	80%	0.796	S	S	*	*			trans	-60.2	138.7	162.6	-66.9	0	0	0	0	111.1
610	A	26.8	Very low	27	Very low	83 Å²	83	143.4 Å²	143.4	69%	0.686	80%	0.796	S	S	*	*			trans	-54.3	145.6	150.6	0	0	0	0	0	108.9
611	D	26	Very low	26.6	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	80%	0.804	S	S	*	*			cis	-170.9	162.3	15.8	-123	-25	0	0	0	107.3
612	L	27.9	Very low	26.2	Very low	133 Å²	133	147.7 Å²	147.7	70%	0.696	81%	0.806	S	S	*	*			trans	106.5	92.1	159.8	-55.9	171.7	0	0	0	120
613	F	27.7	Very low	26.2	Very low	187 Å²	187	149.6 Å²	149.6	82%	0.82	81%	0.806	S	S	*	*			trans	78.8	133.5	144.5	-54.7	-69	0	0	0	119.5
614	S	25.1	Very low	26	Very low	94 Å²	94	148.3 Å²	148.3	66%	0.657	80%	0.8	S	S	*	*			cis	-169.5	146	-9.6	61	0	0	0	0	109.3
615	T	25.6	Very low	26	Very low	136 Å²	136	151 Å²	151	83%	0.834	80%	0.802	S	S	*	*			trans	61.9	128.1	155.2	38	0	0	0	0	118.2
616	S	27.3	Very low	25.7	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	80%	0.804	S	S	*	*			cis	-165.4	138.8	31.9	63.9	0	0	0	0	114
617	R	25.6	Very low	25.6	Very low	242 Å²	242	154.6 Å²	154.6	91%	0.913	81%	0.812	S	S	*	*			trans	57.2	107.8	139.9	-61.9	-177	-162.5	-174.9	5.7	121.4
618	Y	23.3	Very low	25.7	Very low	231 Å²	231	153.5 Å²	153.5	91%	0.906	81%	0.81	S	S	*	*			trans	-104.9	150.3	146.6	-90.8	-90.2	0	0	0	110.2
619	P	26	Very low	25.7	Very low	125 Å²	125	156.1 Å²	156.1	81%	0.812	81%	0.813	S	S	*	*			trans	-102.8	136.6	157	33.6	-22.6	0	0	0	111.9
620	S	22.7	Very low	25.9	Very low	114 Å²	114	159.8 Å²	159.8	80%	0.797	82%	0.816	S	S	*	*			trans	-82.1	148.5	173.7	-49	0	0	0	0	112.3
621	I	26.6	Very low	25.9	Very low	174 Å²	174	159 Å²	159	89%	0.892	82%	0.817	S	S	*	*			trans	-141.8	137.7	147.4	-63.2	-173.6	0	0	0	109.8
622	R	22.6	Very low	26	Very low	229 Å²	229	161.9 Å²	161.9	86%	0.864	83%	0.825	S	S	*	*			trans	-112.1	139.4	-172.7	163.3	-157.2	-92.5	-173.7	-7.7	109.2
623	I	27.4	Very low	25.9	Very low	147 Å²	147	162.7 Å²	162.7	75%	0.754	83%	0.826	S	S	*	*			trans	-154.8	105.3	154.4	-55.5	-174.5	0	0	0	108.8
624	Q	25.4	Very low	25.9	Very low	165 Å²	165	163.4 Å²	163.4	77%	0.771	82%	0.823	S	S	*	*				52.9	108	108.1	-76.8	174.7	-62.2	0	0	116.6
625	Q	25.6	Very low	26	Very low	184 Å²	184	164.2 Å²	164.2	86%	0.86	83%	0.829	S	S	*	*				77.4	119.6	75.9	-105.6	-169	-7.5	0	0	116.5
626	S	24.5	Very low	26.1	Very low	119 Å²	119	161 Å²	161	83%	0.832	82%	0.822	S	S	*	*			trans	-173.2	114.9	138.8	33.4	0	0	0	0	112
627	I	25.1	Very low	26.2	Very low	173 Å²	173	165.2 Å²	165.2	89%	0.887	83%	0.831	S	S	*	*			trans	-136.9	125.5	153	-66.3	-177.9	0	0	0	106.2
628	E	27.8	Very low	26.1	Very low	189 Å²	189	159.2 Å²	159.2	88%	0.883	82%	0.824	S	S	*	*			trans	-73.6	160.4	-179.2	-78.7	174.2	148.7	0	0	113.8
629	E	26.1	Very low	26.4	Very low	185 Å²	185	157.1 Å²	157.1	86%	0.864	83%	0.825	S	S	*	*			trans	-78	153.6	-165.2	-60.2	172.3	137.1	0	0	115.5
630	E	28.2	Very low	26.2	Very low	197 Å²	197	160.2 Å²	160.2	92%	0.921	83%	0.829	S	S	*	*				162	123.7	125.4	-89.7	-161.3	150.5	0	0	106.2
631	G	26.6	Very low	26.6	Very low	67 Å²	67	158.6 Å²	158.6	69%	0.691	82%	0.822	S	S	*	*			cis	122.5	85.5	22.2	0	0	0	0	0	108.4
632	Q	28.8	Very low	26.7	Very low	207 Å²	207	159.4 Å²	159.4	97%	0.967	82%	0.822	S	S	*	*			trans	-172	123.3	143.6	-104.4	164.1	22.2	0	0	113.3
633	Q	25.7	Very low	26.8	Very low	151 Å²	151	152.2 Å²	152.2	71%	0.706	82%	0.819	S	S	*	*			trans	-97.4	155.1	-178.7	-179	-168.1	-11.5	0	0	106.6
634	W	28.5	Very low	26.8	Very low	202 Å²	202	150.4 Å²	150.4	77%	0.765	82%	0.819	S	S	*	*				172.8	137.4	87	-91.3	73.6	0	0	0	110.9
635	S	27	Very low	26.7	Very low	111 Å²	111	147.4 Å²	147.4	78%	0.776	82%	0.822	S	S	*	*			trans	50.5	141.2	140	67.3	0	0	0	0	120.9
636	G	28.2	Very low	26.7	Very low	67 Å²	67	148.3 Å²	148.3	69%	0.691	82%	0.824	S	S	*	*			cis	156.9	169	12.3	0	0	0	0	0	109.5
637	Q	28	Very low	26.8	Very low	191 Å²	191	153.9 Å²	153.9	89%	0.893	83%	0.827	S	S	*	*			trans	71.1	149.2	169.3	-69.1	176.9	-1.7	0	0	117.8
638	C	24.4	Very low	26.6	Very low	115 Å²	115	157.4 Å²	157.4	78%	0.777	83%	0.829	S	S	*	*			cis	-179.9	144.3	-25.2	-109.7	0	0	0	0	103.4
639	M	28.7	Very low	26.6	Very low	188 Å²	188	155 Å²	155	93%	0.926	82%	0.822	S	S	*	*			trans	159	113	137	-83.2	-94.4	-129.4	0	0	111.2
640	E	22.8	Very low	26.6	Very low	190 Å²	190	152 Å²	152	89%	0.888	81%	0.812	S	S	*	*			trans	-70.7	155.8	165.3	-60.9	167.3	135.4	0	0	111.3
641	A	30.4	Very low	26.4	Very low	79 Å²	79	149.7 Å²	149.7	65%	0.653	81%	0.806	S	S	*	*			trans	-173.9	112.5	149	0	0	0	0	0	112.9
642	H	29.5	Very low	26.5	Very low	192 Å²	192	158.3 Å²	158.3	89%	0.889	82%	0.818	S	S	*	*			trans	61.9	120.2	147.4	-52.3	-71.4	0	0	0	118.3
643	G	24.8	Very low	26.4	Very low	78 Å²	78	154.5 Å²	154.5	80%	0.804	81%	0.809	S	S	*	*			cis	93.2	82.5	34.8	0	0	0	0	0	111
644	S	26.7	Very low	26.5	Very low	108 Å²	108	153.1 Å²	153.1	76%	0.755	81%	0.813	S	S	*	*			trans	-153.5	121.1	152.2	70.5	0	0	0	0	111.3
645	A	24.4	Very low	26.4	Very low	102 Å²	102	151.4 Å²	151.4	84%	0.843	82%	0.817	S	S	*	*			trans	-79.1	131.7	167.7	0	0	0	0	0	108.7
646	F	24.8	Very low	26.3	Very low	203 Å²	203	154.2 Å²	154.2	89%	0.89	82%	0.817	S	S	*	*			trans	-116.5	122.7	163.2	-109.7	-87.2	0	0	0	110.4
647	R	26.5	Very low	26.3	Very low	237 Å²	237	162.7 Å²	162.7	89%	0.894	83%	0.829	S	S	*	*			trans	-79.7	142.5	-176.8	-157.5	178.5	-166.5	176.6	2.4	109.2
648	W	21.8	Very low	26.3	Very low	246 Å²	246	158 Å²	158	93%	0.932	82%	0.817	S	S	*	*			trans	-55.5	134.1	167.4	-87.7	33.7	0	0	0	111.6
649	N	26.5	Very low	26.4	Very low	139 Å²	139	158.4 Å²	158.4	74%	0.743	82%	0.816	S	S	*	*			trans	-166.7	127.3	135.8	-115.7	23.4	0	0	0	111.7
650	D	26.2	Very low	26.4	Very low	121 Å²	121	155.9 Å²	155.9	65%	0.647	80%	0.804	S	S	*	*			trans	65.1	132.6	137.6	-63.7	-21.2	0	0	0	123.5
651	N	24.4	Very low	26.5	Very low	149 Å²	149	155.4 Å²	155.4	80%	0.797	80%	0.802	S	S	*	*			trans	80.4	81.7	146.2	-61.3	-19.5	0	0	0	118.5
652	R	28.5	Very low	26.3	Very low	249 Å²	249	162.7 Å²	162.7	94%	0.94	81%	0.813	S	S	*	*			trans	-136.2	111.2	138.8	-82.1	-165.2	175.1	-177.2	-1.7	112.2
653	T	26.7	Very low	26.3	Very low	127 Å²	127	157.7 Å²	157.7	78%	0.779	81%	0.805	S	S	*	*			trans	-48.5	145.3	171.1	41.5	0	0	0	0	114.1
654	P	26.9	Very low	26.5	Very low	121 Å²	121	160.3 Å²	160.3	79%	0.786	81%	0.808	S	S	*	*			trans	-76.4	133.4	172.5	31.9	-30.3	0	0	0	110.1	H656	P654-H656 PolarHBondContact O-N 3.28Å; P654-H656 VanDerWaalsContact O-N 3.11Å
655	I	26.9	Very low	26.8	Very low	167 Å²	167	161.7 Å²	161.7	86%	0.856	81%	0.811	S	S	*	*			trans	-71.4	106.7	172.8	-65.1	172.1	0	0	0	108
656	H	25.9	Very low	27.1	Very low	169 Å²	169	162.3 Å²	162.3	78%	0.782	81%	0.809	S	S	*	*			trans	-57.3	123.7	169.4	-130.1	-102.9	0	0	0	109.8	P654	P654-H656 PolarHBondContact O-N 3.28Å; P654-H656 VanDerWaalsContact O-N 3.11Å
657	R	27.8	Very low	27.5	Very low	245 Å²	245	158.8 Å²	158.8	93%	0.925	81%	0.805	S	S	*	*			trans	-93.5	113	154.3	-91	-174.4	177.6	174	0.4	107.5
658	S	27.2	Very low	27.8	Very low	92 Å²	92	151.1 Å²	151.1	64%	0.643	79%	0.792	S	S	*	*			trans	-55.1	124.5	-173.2	49.2	0	0	0	0	114
659	V	26.4	Very low	28.4	Very low	125 Å²	125	147 Å²	147	76%	0.758	79%	0.788	S	S	*	*			trans	-65.3	122.6	149.5	173.7	0	0	0	0	107.2
660	I	28.5	Very low	28.9	Very low	134 Å²	134	147.2 Å²	147.2	69%	0.687	80%	0.795	S	S	*	*			trans	-92.2	94.2	165.5	-63.2	176.2	0	0	0	106.4	R662	I660-R662 HydrophobicContact CG2-CG 4.21Å
661	E	25.3	Very low	29.3	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.8	S	S	*	*			trans	-72.4	126.9	156.9	-107.8	178.6	162.1	0	0	108.1
662	R	27.2	Very low	29.6	Very low	232 Å²	232	147.5 Å²	147.5	88%	0.875	80%	0.797	S	S	*	*			trans	-112.9	105.7	162.4	-85	-175	177.4	140.5	-0.7	108.5	I660	I660-R662 HydrophobicContact CG2-CG 4.21Å
663	A	28.9	Very low	30	Very low	88 Å²	88	145.8 Å²	145.8	73%	0.727	80%	0.796	S	S	*	*			trans	-70.2	160.2	164.2	0	0	0	0	0	111.2
664	P	29.8	Very low	30.3	Very low	132 Å²	132	150 Å²	150	86%	0.857	80%	0.798	S	S	*	*			trans	-88.2	146.9	-165.1	35	-32.2	0	0	0	113
665	V	33.1	Very low	30.8	Very low	137 Å²	137	149.1 Å²	149.1	83%	0.83	80%	0.801	S	S	*	*			trans	-112.4	119.5	173.7	178.8	0	0	0	0	109.4
666	S	29.8	Very low	31.2	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	80%	0.8	S	S	*	*			trans	-94.4	133.4	168.9	176.2	0	0	0	0	110.1
667	T	33.6	Very low	31.8	Very low	129 Å²	129	144.6 Å²	144.6	79%	0.791	80%	0.8	S	S	*	*			trans	174.7	142	158.5	43.4	0	0	0	0	106.9
668	A	33.5	Very low	32.3	Very low	77 Å²	77	140.6 Å²	140.6	64%	0.636	80%	0.797	S	S	*	*			cis	-169.5	155.8	-3.2	0	0	0	0	0	108.1
669	N	33.7	Very low	32.5	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	80%	0.797	S	S	*	*			trans	55.9	115	144.5	-62.4	-11.3	0	0	0	122.3
670	V	35.9	Very low	33.2	Very low	145 Å²	145	142.7 Å²	142.7	88%	0.879	80%	0.801	S	S	*	*			trans	-142.5	139.7	138.6	-179.7	0	0	0	0	108.2
671	P	36.1	Very low	33.7	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	81%	0.807	S	S	*	*			trans	-99.3	159.5	-156.9	37.7	-33.6	0	0	0	117
672	E	30.5	Very low	34.3	Very low	159 Å²	159	144 Å²	144	74%	0.743	80%	0.804	S	S	*	*			trans	13.9	128.5	155.4	-70.2	-175.5	125	0	0	121.9
673	K	36.3	Very low	35	Very low	213 Å²	213	139.4 Å²	139.4	93%	0.926	80%	0.797	S	S	*	*			trans	-146.6	122.3	130	-147.5	172.8	-174.9	180	0	111.5
674	R	32.5	Very low	35.6	Very low	217 Å²	217	141.3 Å²	141.3	82%	0.819	79%	0.794	S	S	*	*			trans	-68.9	146.1	178.7	-67.8	172.7	-177.7	176.3	-1.3	113
675	A	37.3	Very low	36.3	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	79%	0.788	S	S	*	*			trans	-166	129.3	133.7	0	0	0	0	0	110
676	S	35.5	Very low	36.8	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	78%	0.784	S	S	*	*			trans	-79.7	167.3	-173.4	-55.2	0	0	0	0	114
677	P	38.5	Very low	37.5	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	78%	0.777	S	S	*	*			trans	-98.8	158.6	-176.6	37.8	-30	0	0	0	113.3
678	D	38.3	Very low	37.8	Very low	161 Å²	161	144.2 Å²	144.2	86%	0.861	78%	0.781	S	S	*	*			trans	-145.1	132.3	164.5	-115.5	-19.1	0	0	0	112.9
679	S	32.9	Very low	38	Very low	91 Å²	91	147.3 Å²	147.3	64%	0.636	78%	0.783	S	S	*	*			trans	10.1	138.5	156.8	63.1	0	0	0	0	123.7
680	M	40.3	Very low	38.5	Very low	171 Å²	171	148 Å²	148	84%	0.842	78%	0.778	S	S	*	*				150.5	106.9	121.6	-77.7	-153.8	-117.9	0	0	108.9
681	Q	38.3	Very low	38.8	Very low	173 Å²	173	153 Å²	153	81%	0.808	80%	0.798	S	S	*	*				88.4	144	70.7	-165.9	170.2	-8.7	0	0	112.4
682	E	39.3	Very low	39	Very low	167 Å²	167	154.8 Å²	154.8	78%	0.78	80%	0.801	S	S	*	*			trans	101.1	98.1	178.5	-61.9	-171	170	0	0	114.7
683	D	41	Very low	39.4	Very low	137 Å²	137	154.6 Å²	154.6	73%	0.733	80%	0.804	S	S	*	*				89.6	137.6	78.5	-86.7	-11.6	0	0	0	110
684	L	41.5	Very low	39.6	Very low	127 Å²	127	151.3 Å²	151.3	67%	0.665	80%	0.797	S	S	*	*			cis	-174.5	144.8	0.9	-160.4	82.6	0	0	0	105.6
685	K	44.5	Very low	40	Very low	171 Å²	171	147.5 Å²	147.5	74%	0.743	80%	0.795	S	S	*	*			trans	50.6	144.8	149.2	-80.3	173.3	175.7	179.5	0	120.5
686	D	43.8	Very low	40.2	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	79%	0.792	S	S	*	*			cis	-168.1	151.2	16	-121.7	-35.8	0	0	0	106.6
687	P	43.3	Very low	40.5	Very low	102 Å²	102	152.4 Å²	152.4	66%	0.662	79%	0.79	S	S	*	*			trans	-107.8	131.7	166.8	34.3	-22.7	0	0	0	111.2
688	N	40.3	Very low	40.7	Very low	165 Å²	165	154.6 Å²	154.6	88%	0.882	79%	0.79	S	S	*	*			trans	169.4	157.6	141.2	-101.4	-43.1	0	0	0	114.3
689	E	38.7	Very low	40.8	Very low	143 Å²	143	154.2 Å²	154.2	67%	0.668	79%	0.785	S	S	*	*			trans	92.5	102.6	155.5	-75	-164.8	137	0	0	121.1
690	K	44.7	Very low	41.5	Very low	171 Å²	171	159.4 Å²	159.4	74%	0.743	80%	0.797	S	S	*	*				61.9	104.8	120.9	-68.4	172.8	-178.7	157.9	0	118.5
691	L	42.1	Very low	41.6	Very low	250 Å²	250	158.4 Å²	158.4	100%	1.309	79%	0.793	S	S	*	*				-163.1	0	111.4	-110.7	144.4	0	0	0	110.9

Retrieved 691 of 691 residues in 502.8 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).