A0A2K5L0C4_CERAT Loading...

DNA-directed DNA/RNA polymerase mu

Gap-filling polymerase involved in repair of DNA double-strand breaks by non-homologous end joining (NHEJ). Participates in immunoglobulin (Ig) light chain gene rearrangement in V(D)J recombination.

AlphaFold DB , UniProt , Accession A0A2K5L0C4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene POLM, Length 494 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	31.5	Very low	240 Å²	240	193.3 Å²	193.3	100%	1.182	88%	0.878	S	S	*	*				0	97.3	0	-76.9	-103.1	-177.2	0	0	108.5
2	L	27.5	Very low	32	Very low	166 Å²	166	186.8 Å²	186.8	87%	0.869	87%	0.872	S	S	*	*			trans	27.9	145.6	156	-70.9	164.8	0	0	0	122.9
3	P	38.4	Very low	32.2	Very low	95 Å²	95	181.5 Å²	181.5	62%	0.617	86%	0.863	S	S	*	*				-140.4	172.9	-110.2	42.8	-25.6	0	0	0	117.3
4	K	30.8	Very low	31.7	Very low	192 Å²	192	175.6 Å²	175.6	84%	0.835	85%	0.852	S	S	*	*			trans	61.7	139.1	142.9	-71.5	165.9	-178.2	-179.2	0	118.2
5	R	31.7	Very low	32.1	Very low	245 Å²	245	171.5 Å²	171.5	93%	0.925	85%	0.848	S	S	*	*				-160.1	149	56.7	-91.1	-174.7	155.5	168.4	-7.2	113.6
6	R	30.1	Very low	31.7	Very low	243 Å²	243	169.6 Å²	169.6	92%	0.917	84%	0.842	S	S	*	*			trans	-67.7	154.9	173.6	-102.2	171.3	161.1	-178.5	-5.4	114
7	R	35.3	Very low	32.1	Very low	252 Å²	252	166.2 Å²	166.2	95%	0.951	85%	0.847	S	S	*	*			trans	-48.1	147.8	158.8	-78.8	173.9	166.9	170.8	-4.5	113.5
8	A	28.6	Very low	32	Very low	107 Å²	107	163.1 Å²	163.1	88%	0.884	84%	0.837	S	S	*	*			trans	-125.4	141.1	154.8	0	0	0	0	0	109.9
9	R	30.2	Very low	32.4	Very low	235 Å²	235	160.8 Å²	160.8	89%	0.887	84%	0.838	S	S	*	*			trans	-98.1	145.2	-176.5	-114.2	-170.9	167	179.2	-3.2	110.1
10	V	34.8	Very low	32.4	Very low	115 Å²	115	158.1 Å²	158.1	70%	0.697	83%	0.832	S	S	*	*			trans	65.9	123	135.1	-179.7	0	0	0	0	119.3
11	R	24.4	Very low	32.4	Very low	236 Å²	236	156.5 Å²	156.5	89%	0.891	83%	0.829	S	S	*	*				-168.8	130.5	116.5	-109.4	177.8	174.1	178.1	-2.6	111.8
12	S	36.9	Very low	32.8	Very low	115 Å²	115	150.3 Å²	150.3	80%	0.804	81%	0.807	S	S	*	*			trans	-77.4	139.6	158	-23.5	0	0	0	0	108.5
13	P	34.8	Very low	33.9	Very low	118 Å²	118	147.7 Å²	147.7	77%	0.766	80%	0.8	S	S	*	*				-144.6	172.2	112.5	35.5	-18.1	0	0	0	109.5
14	S	25.5	Very low	34.7	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	81%	0.807	S	S	*	*			cis	-165.1	159.6	10.1	26.6	0	0	0	0	105.3	D16	S14-D16 PolarHBondContact O-N 3.03Å
15	S	37.3	Very low	36.2	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	79%	0.786	S	S	*	*			trans	-58.7	119.5	167.4	49.4	0	0	0	0	111.6
16	D	26.3	Very low	38.4	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	78%	0.775	S	S	*	*			trans	-125.3	113.6	152.7	-91.2	-29.7	0	0	0	108.3	S14 T18	S14-D16 PolarHBondContact O-N 3.03Å; D16-T18 VanDerWaalsContact C-N 3.29Å; D16-T18 PolarHBondContact O-N 3.1Å
17	A	38.1	Very low	41	Very low	112 Å²	112	129.9 Å²	129.9	93%	0.926	74%	0.741	S	S	*	*			trans	-73.9	86.5	168.3	0	0	0	0	0	107.8
18	T	29.5	Very low	42.9	Very low	111 Å²	111	122.8 Å²	122.8	68%	0.681	73%	0.727	S	S	*	*			trans	-100.9	115	164.6	47.8	0	0	0	0	108.8	D16 S20	D16-T18 VanDerWaalsContact C-N 3.29Å; D16-T18 PolarHBondContact O-N 3.1Å; T18-S20 VanDerWaalsContact C-N 3.31Å; T18-S20 PolarHBondContact O-N 3.28Å
19	S	39.5	Very low	45.4	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	72%	0.715	S	S	*	*			trans	-50.1	90.6	164.4	54.9	0	0	0	0	110.5	T21	S19-T21 PolarHBondContact O-N 3.38Å
20	S	33.1	Very low	48.1	Very low	105 Å²	105	110.3 Å²	110.3	73%	0.734	68%	0.678	S	S	*	*			trans	-85.5	96.5	169.1	63.8	0	0	0	0	107.5	T18	T18-S20 VanDerWaalsContact C-N 3.31Å; T18-S20 PolarHBondContact O-N 3.28Å
21	T	32.9	Very low	50.8	Low	125 Å²	125	105 Å²	105	77%	0.767	65%	0.646	S	S	*	*			trans	-35	128.3	155.2	1.3	0	0	0	0	109	S19	S19-T21 PolarHBondContact O-N 3.38Å
22	P	43.7	Very low	54.1	Low	110 Å²	110	93.8 Å²	93.8	71%	0.714	60%	0.604	S	S	*	*			trans	-54.6	136.5	179.3	21.1	-30.6	0	0	0	108.5	S24	P22-S24 PolarHBondContact O-N 3.28Å
23	P	49.7	Very low	56.8	Low	112 Å²	112	89.2 Å²	89.2	73%	0.727	57%	0.569	S	S	*	*			trans	-52.8	121.1	-177.4	20.2	-30.7	0	0	0	108.1	T25	P23-T25 PolarHBondContact O-N 3.43Å
24	S	56.1	Low	59.5	Low	107 Å²	107	83.6 Å²	83.6	75%	0.748	53%	0.533	S	S	*	.			trans	-50.8	111.2	-179.7	55.3	0	0	0	0	108.4	P22 R26	P22-S24 PolarHBondContact O-N 3.28Å; S24-R26 PolarHBondContact O-N 3.02Å; S24-R26 VanDerWaalsContact O-N 3.08Å
25	T	62.2	Low	62.6	Low	66 Å²	66	79.3 Å²	79.3	41%	0.405	50%	0.502	S	S	.	.			trans	-59.5	115.5	178.8	39.5	0	0	0	0	108.5	P23 F27 R57	P23-T25 PolarHBondContact O-N 3.43Å; T25-F27 PolarHBondContact O-N 3.26Å; T25-R57 HydrophobicContact CG2-CB 3.74Å; T25-R57 HydrophobicContact CG2-CG 4.1Å
26	R	78.1	Confident	64.8	Low	186 Å²	186	76.3 Å²	76.3	70%	0.702	48%	0.476	S	S	*	.	S	Bend	trans	-67.1	-21.4	-176.4	-77.7	-177.8	170.3	178.9	-3.9	112.6	S24 G55	S24-R26 PolarHBondContact O-N 3.02Å; S24-R26 VanDerWaalsContact O-N 3.08Å; R26-G55 PolarHBondContact N-O 3.46Å; R26-G55 VanDerWaalsContact N-O 3.1Å
27	F	84.1	Confident	67.2	Low	42 Å²	42	75 Å²	75	18%	0.184	48%	0.475	C	S	.	.			trans	-128.1	77.1	-173.8	-48	-66.9	0	0	0	111	T25 G29 V30 F56 Q113 P114	T25-F27 PolarHBondContact O-N 3.26Å; F27-G29 PolarHBondContact O-N 3.46Å; F27-V30 HydrophobicContact CB-CB 4.45Å; F27-V30 PolarHBondContact O-N 3.19Å; F27-F56 HydrophobicContact CD2-CD1 4.22Å; F27-F56 HydrophobicContact CD2-CE1 4.42Å; F27-F56 HydrophobicContact CD2-CG 4.31Å; F27-F56 HydrophobicContact CE2-CD2 4.4Å; F27-F56 HydrophobicContact CE2-CE2 4.27Å; F27-F56 HydrophobicContact CE2-CZ 4.36Å; F27-Q113 HydrophobicContact CE1-CB 3.92Å; F27-Q113 HydrophobicContact CZ-CB 3.79Å; F27-P114 HydrophobicContact CB-CG 3.99Å; F27-P114 VanDerWaalsContact CD1-CD 3.5Å; F27-P114 HydrophobicContact CD1-CG 4Å; F27-P114 HydrophobicContact CD2-CG 4.12Å; F27-P114 HydrophobicContact CG-CG 3.75Å
28	P	75.4	Confident	69.3	Low	103 Å²	103	75.8 Å²	75.8	67%	0.669	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.8	-174.5	25	-33.6	0	0	0	113.8	V30	P28-V30 VanDerWaalsContact C-N 3.3Å; P28-V30 PolarHBondContact O-N 2.72Å
29	G	80.9	Confident	72	Confident	61 Å²	61	71 Å²	71	63%	0.629	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.3	176.9	0	0	0	0	0	115.4	F27 T67	F27-G29 PolarHBondContact O-N 3.46Å; G29-T67 PolarHBondContact O-OG1 2.88Å
30	V	87.8	Confident	74.1	Confident	19 Å²	19	66.7 Å²	66.7	12%	0.115	40%	0.399	C	S	.	.			trans	-126.5	107.2	-175.6	-179	0	0	0	0	110	F27 P28 I32 T67 W104 P114	F27-V30 HydrophobicContact CB-CB 4.45Å; F27-V30 PolarHBondContact O-N 3.19Å; P28-V30 VanDerWaalsContact C-N 3.3Å; P28-V30 PolarHBondContact O-N 2.72Å; V30-I32 HydrophobicContact CG1-CD1 4.26Å; V30-I32 HydrophobicContact CG1-CG1 3.92Å; V30-T67 WeakPolarHBondContact CA-OG1 3.49Å; V30-W104 HydrophobicContact CG1-CH2 3.86Å; V30-W104 HydrophobicContact CG1-CZ2 4.48Å; V30-P114 HydrophobicContact CB-CG 4.24Å; V30-P114 HydrophobicContact CG1-CG 4.38Å; V30-P114 HydrophobicContact CG2-CB 4.02Å; V30-P114 HydrophobicContact CG2-CG 3.88Å
31	A	90.9	Very high	76.6	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.025	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.3	175.3	0	0	0	0	0	109.3	L59 E65 T67 H68	A31-L59 HydrophobicContact CB-CD1 4.27Å; A31-L59 HydrophobicContact CB-CG 4.43Å; A31-E65 WeakPolarHBondContact CB-O 3.36Å; A31-T67 PolarHBondContact N-OG1 3.1Å; A31-T67 PolarHBondContact O-N 3.44Å; A31-H68 PolarHBondContact O-N 2.8Å
32	I	93.1	Very high	79.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	-170.3	-57.3	172.4	0	0	0	109.8	V30 L34 F56 R57 V58 L59 H68 V70 W104 L105	V30-I32 HydrophobicContact CG1-CD1 4.26Å; V30-I32 HydrophobicContact CG1-CG1 3.92Å; I32-L34 HydrophobicContact CG2-CD2 3.69Å; I32-L34 HydrophobicContact CG2-CG 4.46Å; I32-F56 HydrophobicContact CD1-CB 4.18Å; I32-F56 HydrophobicContact CD1-CD1 3.68Å; I32-F56 HydrophobicContact CD1-CE1 4.47Å; I32-F56 HydrophobicContact CD1-CG 4.27Å; I32-R57 PolarHBondContact N-O 3.11Å; I32-V58 HydrophobicContact CB-CG2 4.44Å; I32-V58 CarbonylContact O-C 3.48Å; I32-V58 WeakPolarHBondContact O-CA 3.11Å; I32-L59 PolarHBondContact O-N 3.03Å; I32-H68 CarbonylContact C-O 3.6Å; I32-H68 WeakPolarHBondContact CA-O 3.48Å; I32-H68 HydrophobicContact CG1-CB 4.35Å; I32-V70 HydrophobicContact CG2-CG2 3.94Å; I32-W104 HydrophobicContact CD1-CH2 4Å; I32-W104 HydrophobicContact CD1-CZ3 3.81Å; I32-W104 HydrophobicContact CG1-CH2 4.28Å; I32-W104 HydrophobicContact CG1-CZ3 4.13Å; I32-L105 HydrophobicContact CD1-CD1 3.97Å
33	Y	93.5	Very high	81.6	Confident	19 Å²	19	69.6 Å²	69.6	8%	0.075	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.8	165.8	178.6	-102.4	0	0	0	110.4	V35 L59 A61 C62 H68 V69 V70 W82	Y33-V35 HydrophobicContact CD1-CG2 4.11Å; Y33-V35 HydrophobicContact CE1-CG2 3.94Å; Y33-L59 HydrophobicContact CD2-CB 4.49Å; Y33-A61 VanDerWaalsContact CD2-C 3.46Å; Y33-C62 HydrophobicContact CD1-CB 3.88Å; Y33-C62 HydrophobicContact CD2-CB 4.06Å; Y33-C62 HydrophobicContact CE1-CB 3.71Å; Y33-C62 HydrophobicContact CE2-CB 3.89Å; Y33-C62 HydrophobicContact CG-CB 4.04Å; Y33-H68 PolarHBondContact N-O 3.24Å; Y33-V69 HydrophobicContact CD1-CG1 4.35Å; Y33-V69 WeakPolarHBondContact O-CA 3.34Å; Y33-V70 PolarHBondContact O-N 3.34Å; Y33-W82 HydrophobicContact CD1-CH2 4.17Å; Y33-W82 HydrophobicContact CD1-CZ2 4.27Å; Y33-W82 HydrophobicContact CE1-CH2 4.14Å; Y33-W82 AromaticContact CE1-CZ2 3.79Å; Y33-W82 HydrophobicContact CE1-CZ2 3.79Å
34	L	91.9	Very high	83.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.9	179.7	-56	-174.6	0	0	0	110.9	I32 M39 R44 L47 V58 V70 L105	I32-L34 HydrophobicContact CG2-CD2 3.69Å; I32-L34 HydrophobicContact CG2-CG 4.46Å; L34-M39 HydrophobicContact CB-CE 4.12Å; L34-M39 HydrophobicContact CB-SD 4.05Å; L34-M39 HydrophobicContact CD1-SD 4.32Å; L34-M39 HydrophobicContact CD2-CE 4.5Å; L34-R44 HydrophobicContact CB-CG 4.11Å; L34-R44 HydrophobicContact CD1-CG 4.44Å; L34-L47 HydrophobicContact CD1-CB 3.73Å; L34-V58 HydrophobicContact CD1-CG1 4.49Å; L34-V58 HydrophobicContact CG-CG1 4.28Å; L34-V70 HydrophobicContact CD2-CB 3.8Å; L34-V70 HydrophobicContact CD2-CG1 4.31Å; L34-V70 HydrophobicContact CD2-CG2 4.38Å; L34-L105 HydrophobicContact CD1-CD2 4.46Å; L34-L105 HydrophobicContact CD2-CD2 3.59Å
35	V	89.6	Confident	85.3	Confident	9 Å²	9	63 Å²	63	6%	0.055	34%	0.335	C	S	.	.			trans	-85.2	117.4	-177.6	178.8	0	0	0	0	110.9	Y33 M39 V69 V70 M71 W82	Y33-V35 HydrophobicContact CD1-CG2 4.11Å; Y33-V35 HydrophobicContact CE1-CG2 3.94Å; V35-M39 VanDerWaalsContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CB 3.26Å; V35-V69 HydrophobicContact CG2-CG1 3.51Å; V35-V70 PolarHBondContact N-O 3.32Å; V35-M71 HydrophobicContact CB-CB 4.42Å; V35-M71 HydrophobicContact CB-CG 3.93Å; V35-M71 HydrophobicContact CG1-CG 4.44Å; V35-M71 HydrophobicContact CG2-CE 4.03Å; V35-M71 HydrophobicContact CG2-CG 3.75Å; V35-M71 HydrophobicContact CG2-SD 4.39Å; V35-W82 HydrophobicContact CG2-CH2 4.27Å; V35-W82 HydrophobicContact CG2-CZ2 3.87Å
36	E	84.2	Confident	86.8	Confident	51 Å²	51	65 Å²	65	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-74	-42.2	-169.7	-171.6	174.3	130.9	0	0	117.1	R38 M39 G40 R41 R44	E36-R38 PolarHBondContact O-N 2.8Å; E36-R38 VanDerWaalsContact O-N 3.13Å; E36-M39 PolarHBondContact O-N 2.77Å; E36-M39 VanDerWaalsContact O-N 3.09Å; E36-G40 PolarHBondContact O-N 2.9Å; E36-R41 VanDerWaalsContact CD-CG 3.46Å; E36-R41 HydrophobicContact CG-CG 4.16Å; E36-R41 WeakPolarHBondContact OE1-CG 3.43Å; E36-R41 IonicContact OE1-CZ 2.7Å; E36-R41 IonicContact OE1-NE 3.96Å; E36-R41 PolarHBondContact OE1-NE 3.26Å; E36-R44 IonicContact OE2-CZ 2.59Å; E36-R44 IonicContact OE2-NH1 3.55Å; E36-R44 PolarHBondContact OE2-NH1 3.49Å
37	P	77.1	Confident	87.6	Confident	114 Å²	114	56.4 Å²	56.4	74%	0.74	31%	0.306	S	S	*	.	H	α-helix	trans	-51.5	-44	-162.6	-32.7	36.1	0	0	0	116.5
38	R	81.6	Confident	88	Confident	127 Å²	127	55.1 Å²	55.1	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-94.1	-23.5	177.7	-67	-167.4	177.9	-111.1	-2	113.8	E36 E72 Q73 E78	E36-R38 PolarHBondContact O-N 2.8Å; E36-R38 VanDerWaalsContact O-N 3.13Å; R38-E72 VanDerWaalsContact CB-O 3.27Å; R38-E72 WeakPolarHBondContact CB-O 3.4Å; R38-Q73 WeakPolarHBondContact CD-O 3.41Å; R38-Q73 PolarHBondContact NH1-O 3.38Å; R38-E78 IonicContact CZ-OE1 3.12Å; R38-E78 IonicContact CZ-OE2 3.16Å; R38-E78 IonicContact NE-OE1 2.87Å; R38-E78 IonicContact NE-OE2 3.51Å; R38-E78 PolarHBondContact NE-OE2 3.1Å; R38-E78 VanDerWaalsContact NH2-CD 3.27Å; R38-E78 IonicContact NH2-OE1 3.25Å; R38-E78 PolarHBondContact NH2-OE1 3.07Å; R38-E78 IonicContact NH2-OE2 2.66Å; R38-E78 PolarHBondContact NH2-OE2 3.23Å
39	M	86.9	Confident	88.9	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-74.5	-35.7	177.6	-175.6	-179.9	-63.7	0	0	112.3	L34 V35 E36 R43 R44 L47 E72 I102	L34-M39 HydrophobicContact CB-CE 4.12Å; L34-M39 HydrophobicContact CB-SD 4.05Å; L34-M39 HydrophobicContact CD1-SD 4.32Å; L34-M39 HydrophobicContact CD2-CE 4.5Å; V35-M39 VanDerWaalsContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CB 3.26Å; E36-M39 PolarHBondContact O-N 2.77Å; E36-M39 VanDerWaalsContact O-N 3.09Å; M39-R43 HydrophobicContact CG-CB 4.15Å; M39-R43 HydrophobicContact CG-CG 3.99Å; M39-R43 VanDerWaalsContact O-CB 3.27Å; M39-R43 WeakPolarHBondContact O-CB 3.41Å; M39-R44 HydrophobicContact CG-CB 4.39Å; M39-R44 HydrophobicContact SD-CB 3.83Å; M39-R44 HydrophobicContact SD-CG 4.33Å; M39-L47 HydrophobicContact CE-CD1 4.29Å; M39-L47 HydrophobicContact CG-CD1 4.47Å; M39-L47 HydrophobicContact SD-CD1 3.82Å; M39-E72 HydrophobicContact CB-CB 4.27Å; M39-E72 HydrophobicContact CE-CB 4.21Å; M39-E72 WeakPolarHBondContact CG-OE2 3.37Å; M39-I102 HydrophobicContact CE-CD1 4.17Å
40	G	83.7	Confident	89.5	Confident	31 Å²	31	57.4 Å²	57.4	32%	0.32	28%	0.281	S	S	.	.			trans	80.1	147.3	-175.2	0	0	0	0	0	114	E36 S42 R43 R44	E36-G40 PolarHBondContact O-N 2.9Å; G40-S42 PolarHBondContact O-N 3.27Å; G40-R43 PolarHBondContact O-N 3.22Å; G40-R44 WeakPolarHBondContact O-CB 3.47Å; G40-R44 PolarHBondContact O-N 3.48Å
41	R	86	Confident	89.7	Confident	191 Å²	191	56.6 Å²	56.6	72%	0.721	28%	0.276	S	S	*	.	H	α-helix	trans	-54.8	-47.1	-175.6	-76.2	-178.3	-176.7	178.6	5.2	114	E36 R43 R44 A45	E36-R41 VanDerWaalsContact CD-CG 3.46Å; E36-R41 HydrophobicContact CG-CG 4.16Å; E36-R41 WeakPolarHBondContact OE1-CG 3.43Å; E36-R41 IonicContact OE1-CZ 2.7Å; E36-R41 IonicContact OE1-NE 3.96Å; E36-R41 PolarHBondContact OE1-NE 3.26Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R41-R43 PolarHBondContact O-N 3.34Å; R41-R44 PolarHBondContact O-N 3.37Å; R41-A45 WeakPolarHBondContact O-CB 3.38Å; R41-A45 PolarHBondContact O-N 2.98Å
42	S	89.8	Confident	89.8	Confident	106 Å²	106	61.2 Å²	61.2	74%	0.741	29%	0.293	S	S	*	.	H	α-helix	trans	-62.5	-43.1	-177	-56.5	0	0	0	0	111.8	G40 F46	G40-S42 PolarHBondContact O-N 3.27Å; S42-F46 PolarHBondContact O-N 3.38Å
43	R	91.7	Very high	89.7	Confident	103 Å²	103	65.6 Å²	65.6	39%	0.389	32%	0.324	S	S	.	.	H	α-helix	trans	-72.8	-42.4	-179.8	-175.3	158.8	173.5	83.3	-2.7	111.9	M39 G40 R41 A45 F46 L47 E72	M39-R43 HydrophobicContact CG-CB 4.15Å; M39-R43 HydrophobicContact CG-CG 3.99Å; M39-R43 VanDerWaalsContact O-CB 3.27Å; M39-R43 WeakPolarHBondContact O-CB 3.41Å; G40-R43 PolarHBondContact O-N 3.22Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R41-R43 PolarHBondContact O-N 3.34Å; R43-A45 VanDerWaalsContact C-N 3.32Å; R43-A45 PolarHBondContact O-N 2.62Å; R43-F46 PolarHBondContact O-N 3.33Å; R43-L47 HydrophobicContact CG-CD1 3.98Å; R43-L47 HydrophobicContact CG-CG 4.41Å; R43-L47 WeakPolarHBondContact O-CG 3.04Å; R43-L47 PolarHBondContact O-N 3.47Å; R43-E72 WeakPolarHBondContact CD-OE2 3.49Å; R43-E72 IonicContact CZ-OE1 3.61Å; R43-E72 IonicContact CZ-OE2 2.93Å; R43-E72 IonicContact NE-OE1 2.95Å; R43-E72 PolarHBondContact NE-OE1 3.33Å; R43-E72 IonicContact NE-OE2 2.59Å; R43-E72 PolarHBondContact NE-OE2 3.23Å; R43-E72 IonicContact NH2-OE1 3.37Å; R43-E72 PolarHBondContact NH2-OE1 2.88Å; R43-E72 IonicContact NH2-OE2 2.69Å
44	R	92.4	Very high	89.5	Confident	42 Å²	42	68.2 Å²	68.2	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-55	-47.4	171.8	-179.9	179.8	171.5	-166.4	0.4	111.6	L34 E36 M39 G40 R41 F46 L47 T48 D60	L34-R44 HydrophobicContact CB-CG 4.11Å; L34-R44 HydrophobicContact CD1-CG 4.44Å; E36-R44 IonicContact OE2-CZ 2.59Å; E36-R44 IonicContact OE2-NH1 3.55Å; E36-R44 PolarHBondContact OE2-NH1 3.49Å; M39-R44 HydrophobicContact CG-CB 4.39Å; M39-R44 HydrophobicContact SD-CB 3.83Å; M39-R44 HydrophobicContact SD-CG 4.33Å; G40-R44 WeakPolarHBondContact O-CB 3.47Å; G40-R44 PolarHBondContact O-N 3.48Å; R41-R44 PolarHBondContact O-N 3.37Å; R44-F46 PolarHBondContact O-N 2.75Å; R44-L47 PolarHBondContact O-N 3.2Å; R44-T48 VanDerWaalsContact O-CB 3.3Å; R44-T48 WeakPolarHBondContact O-CB 3.23Å; R44-T48 PolarHBondContact O-N 2.82Å; R44-T48 PolarHBondContact O-OG1 3.48Å; R44-D60 PolarHBondContact NH2-O 2.86Å
45	A	90.1	Very high	89.3	Confident	40 Å²	40	68.9 Å²	68.9	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-39.3	179.6	0	0	0	0	0	112.5	R41 R43 R49	R41-A45 WeakPolarHBondContact O-CB 3.38Å; R41-A45 PolarHBondContact O-N 2.98Å; R43-A45 VanDerWaalsContact C-N 3.32Å; R43-A45 PolarHBondContact O-N 2.62Å; A45-R49 WeakPolarHBondContact O-CG 3.28Å; A45-R49 PolarHBondContact O-N 3.33Å; A45-R49 VanDerWaalsContact O-N 3.13Å
46	F	94.1	Very high	89.3	Confident	108 Å²	108	68.7 Å²	68.7	47%	0.474	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-52.9	174.1	171.6	-99.1	0	0	0	111.8	S42 R43 R44 T48 R49 L50	S42-F46 PolarHBondContact O-N 3.38Å; R43-F46 PolarHBondContact O-N 3.33Å; R44-F46 PolarHBondContact O-N 2.75Å; F46-T48 VanDerWaalsContact C-N 3.31Å; F46-T48 PolarHBondContact O-N 2.81Å; F46-R49 PolarHBondContact O-N 2.89Å; F46-L50 HydrophobicContact CE1-CD2 4Å; F46-L50 HydrophobicContact CZ-CD2 4.09Å; F46-L50 WeakPolarHBondContact O-CB 3.43Å; F46-L50 PolarHBondContact O-N 2.97Å
47	L	94.3	Very high	89.7	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-38.6	-179.6	-70.2	170.8	0	0	0	112	L34 M39 R43 R44 L50 A51 I102 L105 L109	L34-L47 HydrophobicContact CD1-CB 3.73Å; M39-L47 HydrophobicContact CE-CD1 4.29Å; M39-L47 HydrophobicContact CG-CD1 4.47Å; M39-L47 HydrophobicContact SD-CD1 3.82Å; R43-L47 HydrophobicContact CG-CD1 3.98Å; R43-L47 HydrophobicContact CG-CG 4.41Å; R43-L47 WeakPolarHBondContact O-CG 3.04Å; R43-L47 PolarHBondContact O-N 3.47Å; R44-L47 PolarHBondContact O-N 3.2Å; L47-L50 PolarHBondContact O-N 2.89Å; L47-A51 VanDerWaalsContact O-CB 3.23Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.03Å; L47-I102 HydrophobicContact CD1-CD1 3.74Å; L47-L105 HydrophobicContact CB-CD2 4.47Å; L47-L105 HydrophobicContact CD1-CD2 4.47Å; L47-L109 HydrophobicContact CD2-CD1 4.36Å
48	T	93.4	Very high	90.3	Very high	14 Å²	14	65.1 Å²	65.1	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-48.7	175.9	-59.5	0	0	0	0	111.4	R44 F46 R52 V58	R44-T48 VanDerWaalsContact O-CB 3.3Å; R44-T48 WeakPolarHBondContact O-CB 3.23Å; R44-T48 PolarHBondContact O-N 2.82Å; R44-T48 PolarHBondContact O-OG1 3.48Å; F46-T48 VanDerWaalsContact C-N 3.31Å; F46-T48 PolarHBondContact O-N 2.81Å; T48-R52 WeakPolarHBondContact O-CB 3.37Å; T48-R52 VanDerWaalsContact O-CG 3.3Å; T48-R52 WeakPolarHBondContact O-CG 3.39Å; T48-R52 PolarHBondContact O-N 3.05Å; T48-V58 HydrophobicContact CG2-CB 4.27Å; T48-V58 HydrophobicContact CG2-CG1 3.99Å
49	R	93.1	Very high	90.8	Very high	159 Å²	159	60 Å²	60	60%	0.6	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-43.4	177	-73.3	-170.6	-61.3	-90.6	-0.1	111.7	A45 F46 R52 S53	A45-R49 WeakPolarHBondContact O-CG 3.28Å; A45-R49 PolarHBondContact O-N 3.33Å; A45-R49 VanDerWaalsContact O-N 3.13Å; F46-R49 PolarHBondContact O-N 2.89Å; R49-R52 PolarHBondContact O-N 3.11Å; R49-S53 WeakPolarHBondContact O-CB 3.43Å; R49-S53 PolarHBondContact O-N 3.08Å
50	L	94.1	Very high	90.7	Very high	54 Å²	54	65 Å²	65	28%	0.283	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-49.1	179.7	-179	57.5	0	0	0	111.5	F46 L47 S53 K54 L109	F46-L50 HydrophobicContact CE1-CD2 4Å; F46-L50 HydrophobicContact CZ-CD2 4.09Å; F46-L50 WeakPolarHBondContact O-CB 3.43Å; F46-L50 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 2.89Å; L50-S53 PolarHBondContact O-N 3.1Å; L50-S53 PolarHBondContact O-OG 3.35Å; L50-K54 PolarHBondContact O-N 3.11Å; L50-K54 VanDerWaalsContact O-N 3.16Å; L50-L109 HydrophobicContact CD2-CD1 3.94Å; L50-L109 HydrophobicContact CG-CD1 4.19Å; L50-L109 HydrophobicContact CG-CD2 4.43Å
51	A	92.5	Very high	90.8	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-44.5	178.5	0	0	0	0	0	112.6	L47 S53 K54 G55 F56 V58 L109	L47-A51 VanDerWaalsContact O-CB 3.23Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.03Å; A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3.19Å; A51-K54 CarbonylContact O-C 3.57Å; A51-K54 PolarHBondContact O-N 3.13Å; A51-K54 VanDerWaalsContact O-N 3.08Å; A51-G55 PolarHBondContact O-N 2.98Å; A51-F56 HydrophobicContact CB-CB 4.1Å; A51-F56 WeakPolarHBondContact O-CB 3.43Å; A51-F56 WeakPolarHBondContact O-CD2 3.43Å; A51-F56 PolarHBondContact O-N 2.93Å; A51-V58 HydrophobicContact CB-CG2 3.58Å; A51-L109 HydrophobicContact CB-CD2 3.87Å
52	R	93.4	Very high	90.6	Very high	100 Å²	100	59.6 Å²	59.6	38%	0.377	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-40.4	174.9	-73.7	177.5	177.4	164.2	2.5	112	T48 R49 K54 G55 V58 D60	T48-R52 WeakPolarHBondContact O-CB 3.37Å; T48-R52 VanDerWaalsContact O-CG 3.3Å; T48-R52 WeakPolarHBondContact O-CG 3.39Å; T48-R52 PolarHBondContact O-N 3.05Å; R49-R52 PolarHBondContact O-N 3.11Å; R52-K54 PolarHBondContact O-N 3.28Å; R52-G55 PolarHBondContact O-N 2.83Å; R52-V58 HydrophobicContact CG-CB 4.37Å; R52-V58 HydrophobicContact CG-CG2 4.37Å; R52-V58 PolarHBondContact NH2-O 3.39Å; R52-D60 IonicContact CZ-OD1 2.73Å; R52-D60 IonicContact NH1-OD1 3.56Å; R52-D60 PolarHBondContact NH1-OD1 2.93Å; R52-D60 IonicContact NH2-OD1 3.81Å; R52-D60 PolarHBondContact NH2-OD1 3.08Å; R52-D60 IonicContact NH2-OD2 3.84Å; R52-D60 PolarHBondContact NH2-OD2 3.26Å
53	S	90.5	Very high	90.2	Very high	92 Å²	92	56.9 Å²	56.9	64%	0.643	29%	0.292	S	S	*	.	H	α-helix	trans	-63.3	-26.2	176	77.6	0	0	0	0	113.3	R49 L50 A51	R49-S53 WeakPolarHBondContact O-CB 3.43Å; R49-S53 PolarHBondContact O-N 3.08Å; L50-S53 PolarHBondContact O-N 3.1Å; L50-S53 PolarHBondContact O-OG 3.35Å; A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3.19Å
54	K	89.2	Confident	89.6	Confident	75 Å²	75	57.3 Å²	57.3	33%	0.326	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.7	174.6	-64.9	-159.3	175.8	-157.9	0	113.6	L50 A51 R52 F56 L109	L50-K54 PolarHBondContact O-N 3.11Å; L50-K54 VanDerWaalsContact O-N 3.16Å; A51-K54 CarbonylContact O-C 3.57Å; A51-K54 PolarHBondContact O-N 3.13Å; A51-K54 VanDerWaalsContact O-N 3.08Å; R52-K54 PolarHBondContact O-N 3.28Å; K54-F56 HydrophobicContact CB-CD2 3.91Å; K54-F56 HydrophobicContact CB-CE2 3.97Å; K54-L109 HydrophobicContact CD-CD2 4.19Å; K54-L109 WeakPolarHBondContact CD-O 3.21Å; K54-L109 WeakPolarHBondContact CE-O 3.38Å; K54-L109 PolarHBondContact NZ-O 3.04Å
55	G	86.7	Confident	89.1	Confident	15 Å²	15	60 Å²	60	16%	0.155	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	9.4	174.4	0	0	0	0	0	115.6	R26 A51 R52	R26-G55 PolarHBondContact N-O 3.46Å; R26-G55 VanDerWaalsContact N-O 3.1Å; A51-G55 PolarHBondContact O-N 2.98Å; R52-G55 PolarHBondContact O-N 2.83Å
56	F	89.9	Confident	89	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.018	31%	0.312	C	S	.	.			trans	-77.2	141.9	174	-67.5	-98.9	0	0	0	111.5	F27 I32 A51 K54 V58 L109 P114	F27-F56 HydrophobicContact CD2-CD1 4.22Å; F27-F56 HydrophobicContact CD2-CE1 4.42Å; F27-F56 HydrophobicContact CD2-CG 4.31Å; F27-F56 HydrophobicContact CE2-CD2 4.4Å; F27-F56 HydrophobicContact CE2-CE2 4.27Å; F27-F56 HydrophobicContact CE2-CZ 4.36Å; I32-F56 HydrophobicContact CD1-CB 4.18Å; I32-F56 HydrophobicContact CD1-CD1 3.68Å; I32-F56 HydrophobicContact CD1-CE1 4.47Å; I32-F56 HydrophobicContact CD1-CG 4.27Å; A51-F56 HydrophobicContact CB-CB 4.1Å; A51-F56 WeakPolarHBondContact O-CB 3.43Å; A51-F56 WeakPolarHBondContact O-CD2 3.43Å; A51-F56 PolarHBondContact O-N 2.93Å; K54-F56 HydrophobicContact CB-CD2 3.91Å; K54-F56 HydrophobicContact CB-CE2 3.97Å; F56-V58 PolarHBondContact O-N 2.59Å; F56-L109 HydrophobicContact CD2-CD2 4.12Å; F56-L109 HydrophobicContact CE2-CD2 3.99Å; F56-P114 HydrophobicContact CD1-CG 4.27Å; F56-P114 HydrophobicContact CE1-CB 4.23Å; F56-P114 HydrophobicContact CE1-CG 3.69Å; F56-P114 HydrophobicContact CZ-CG 4.48Å
57	R	92.6	Very high	88.7	Confident	82 Å²	82	56 Å²	56	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.2	171.2	-174.4	178.6	175.8	179.8	0.1	109.3	T25 I32 E65	T25-R57 HydrophobicContact CG2-CB 3.74Å; T25-R57 HydrophobicContact CG2-CG 4.1Å; I32-R57 PolarHBondContact N-O 3.11Å; R57-E65 IonicContact CZ-OE2 3.9Å; R57-E65 IonicContact NH2-OE1 2.86Å; R57-E65 PolarHBondContact NH2-OE1 3.27Å; R57-E65 IonicContact NH2-OE2 3.19Å; R57-E65 PolarHBondContact NH2-OE2 3.09Å
58	V	91.3	Very high	88.6	Confident	8 Å²	8	57 Å²	57	5%	0.048	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.2	174.9	-172.8	0	0	0	0	109.9	I32 L34 T48 A51 R52 F56	I32-V58 HydrophobicContact CB-CG2 4.44Å; I32-V58 CarbonylContact O-C 3.48Å; I32-V58 WeakPolarHBondContact O-CA 3.11Å; L34-V58 HydrophobicContact CD1-CG1 4.49Å; L34-V58 HydrophobicContact CG-CG1 4.28Å; T48-V58 HydrophobicContact CG2-CB 4.27Å; T48-V58 HydrophobicContact CG2-CG1 3.99Å; A51-V58 HydrophobicContact CB-CG2 3.58Å; R52-V58 HydrophobicContact CG-CB 4.37Å; R52-V58 HydrophobicContact CG-CG2 4.37Å; R52-V58 PolarHBondContact NH2-O 3.39Å; F56-V58 PolarHBondContact O-N 2.59Å
59	L	90.4	Very high	88.6	Confident	19 Å²	19	56.3 Å²	56.3	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.7	-179	-55.7	175.5	0	0	0	111	A31 I32 Y33 A61 E65 A66	A31-L59 HydrophobicContact CB-CD1 4.27Å; A31-L59 HydrophobicContact CB-CG 4.43Å; I32-L59 PolarHBondContact O-N 3.03Å; Y33-L59 HydrophobicContact CD2-CB 4.49Å; L59-A61 WeakPolarHBondContact CB-O 3.44Å; L59-E65 HydrophobicContact CD1-CB 4.32Å; L59-A66 HydrophobicContact CD1-CB 3.79Å
60	D	86	Confident	88.6	Confident	115 Å²	115	48.7 Å²	48.7	62%	0.615	28%	0.278	S	S	*	.	S	Bend	trans	-76.2	-27	177.4	-65.5	-51.3	0	0	0	112.3	R44 R52	R44-D60 PolarHBondContact NH2-O 2.86Å; R52-D60 IonicContact CZ-OD1 2.73Å; R52-D60 IonicContact NH1-OD1 3.56Å; R52-D60 PolarHBondContact NH1-OD1 2.93Å; R52-D60 IonicContact NH2-OD1 3.81Å; R52-D60 PolarHBondContact NH2-OD1 3.08Å; R52-D60 IonicContact NH2-OD2 3.84Å; R52-D60 PolarHBondContact NH2-OD2 3.26Å
61	A	84.8	Confident	88.5	Confident	65 Å²	65	46.2 Å²	46.2	54%	0.537	26%	0.264	S	S	.	.	S	Bend	trans	-129.7	153.6	175.4	0	0	0	0	0	110.4	Y33 L59 S63	Y33-A61 VanDerWaalsContact CD2-C 3.46Å; L59-A61 WeakPolarHBondContact CB-O 3.44Å; A61-S63 PolarHBondContact O-N 2.9Å
62	C	81.4	Confident	88.4	Confident	45 Å²	45	47.1 Å²	47.1	30%	0.304	27%	0.269	S	S	.	.			trans	-73.2	120	174.4	-172.2	0	0	0	0	108.4	Y33	Y33-C62 HydrophobicContact CD1-CB 3.88Å; Y33-C62 HydrophobicContact CD2-CB 4.06Å; Y33-C62 HydrophobicContact CE1-CB 3.71Å; Y33-C62 HydrophobicContact CE2-CB 3.89Å; Y33-C62 HydrophobicContact CG-CB 4.04Å
63	S	82.6	Confident	88	Confident	49 Å²	49	49.3 Å²	49.3	34%	0.343	28%	0.283	S	S	.	.			trans	-132.1	171.9	177.9	66.5	0	0	0	0	110.1	A61 E65 A66	A61-S63 PolarHBondContact O-N 2.9Å; S63-E65 PolarHBondContact O-N 3.31Å; S63-E65 VanDerWaalsContact O-N 3.13Å; S63-E65 WeakPolarHBondContact OG-CB 3.26Å; S63-E65 PolarHBondContact OG-N 3.4Å; S63-A66 WeakPolarHBondContact O-CB 3.16Å; S63-A66 PolarHBondContact O-N 3.16Å; S63-A66 VanDerWaalsContact O-N 3.11Å
64	S	79.6	Confident	87.8	Confident	111 Å²	111	45.9 Å²	45.9	78%	0.776	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.4	172	50.4	0	0	0	0	113.6	A66	S64-A66 VanDerWaalsContact C-N 3.31Å
65	E	81.7	Confident	87.5	Confident	100 Å²	100	44.5 Å²	44.5	47%	0.467	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.4	174.7	-54.6	-172	136.4	0	0	113	A31 R57 L59 S63 T67	A31-E65 WeakPolarHBondContact CB-O 3.36Å; R57-E65 IonicContact CZ-OE2 3.9Å; R57-E65 IonicContact NH2-OE1 2.86Å; R57-E65 PolarHBondContact NH2-OE1 3.27Å; R57-E65 IonicContact NH2-OE2 3.19Å; R57-E65 PolarHBondContact NH2-OE2 3.09Å; L59-E65 HydrophobicContact CD1-CB 4.32Å; S63-E65 PolarHBondContact O-N 3.31Å; S63-E65 VanDerWaalsContact O-N 3.13Å; S63-E65 WeakPolarHBondContact OG-CB 3.26Å; S63-E65 PolarHBondContact OG-N 3.4Å; E65-T67 PolarHBondContact O-N 3.26Å
66	A	86.6	Confident	87.3	Confident	8 Å²	8	44.8 Å²	44.8	7%	0.066	26%	0.259	C	S	.	.			trans	-65	124.5	-179.7	0	0	0	0	0	109.6	L59 S63 S64 V69 P97	L59-A66 HydrophobicContact CD1-CB 3.79Å; S63-A66 WeakPolarHBondContact O-CB 3.16Å; S63-A66 PolarHBondContact O-N 3.16Å; S63-A66 VanDerWaalsContact O-N 3.11Å; S64-A66 VanDerWaalsContact C-N 3.31Å; A66-V69 HydrophobicContact CB-CG2 4.43Å; A66-P97 WeakPolarHBondContact O-CB 3.33Å
67	T	88.6	Confident	86.8	Confident	54 Å²	54	50 Å²	50	33%	0.331	28%	0.284	S	S	.	.	S	Bend	trans	-100.5	-26.6	171	61.8	0	0	0	0	111.5	G29 V30 A31 E65 P97 A98	G29-T67 PolarHBondContact O-OG1 2.88Å; V30-T67 WeakPolarHBondContact CA-OG1 3.49Å; A31-T67 PolarHBondContact N-OG1 3.1Å; A31-T67 PolarHBondContact O-N 3.44Å; E65-T67 PolarHBondContact O-N 3.26Å; T67-P97 WeakPolarHBondContact O-CA 3.46Å; T67-A98 PolarHBondContact O-N 3.29Å
68	H	92.2	Very high	86.3	Confident	26 Å²	26	49.7 Å²	49.7	12%	0.12	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.8	-179	-63.9	59.4	0	0	0	109.2	A31 I32 Y33 L100 W104	A31-H68 PolarHBondContact O-N 2.8Å; I32-H68 CarbonylContact C-O 3.6Å; I32-H68 WeakPolarHBondContact CA-O 3.48Å; I32-H68 HydrophobicContact CG1-CB 4.35Å; Y33-H68 PolarHBondContact N-O 3.24Å; H68-L100 HydrophobicContact CB-CD1 4.12Å; H68-L100 WeakPolarHBondContact CD2-CD1 3.44Å; H68-W104 HydrophobicContact CB-CH2 4.32Å; H68-W104 HydrophobicContact CB-CZ3 4.27Å; H68-W104 AromaticContact CD2-CE2 3.85Å; H68-W104 AromaticContact CD2-CH2 3.37Å; H68-W104 WeakPolarHBondContact CD2-CH2 3Å; H68-W104 AromaticContact CD2-CZ2 3.34Å; H68-W104 WeakPolarHBondContact CD2-CZ2 3.18Å; H68-W104 AromaticContact CD2-CZ3 3.9Å; H68-W104 AromaticContact CG-CH2 3.94Å; H68-W104 AromaticContact NE2-CZ2 3.65Å
69	V	92.9	Very high	86	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.5	172.5	173.9	0	0	0	0	107.8	Y33 V35 A66 M71 W82 P97 A98 L99 L100	Y33-V69 HydrophobicContact CD1-CG1 4.35Å; Y33-V69 WeakPolarHBondContact O-CA 3.34Å; V35-V69 HydrophobicContact CG2-CG1 3.51Å; A66-V69 HydrophobicContact CB-CG2 4.43Å; V69-M71 HydrophobicContact CG1-CE 3.71Å; V69-M71 HydrophobicContact CG1-CG 4.35Å; V69-W82 HydrophobicContact CB-CZ3 4.45Å; V69-W82 HydrophobicContact CG1-CE3 4.39Å; V69-W82 HydrophobicContact CG1-CH2 3.76Å; V69-W82 HydrophobicContact CG1-CZ3 3.68Å; V69-W82 HydrophobicContact CG2-CH2 4.22Å; V69-W82 HydrophobicContact CG2-CZ3 4.18Å; V69-P97 HydrophobicContact CG2-CB 3.86Å; V69-P97 HydrophobicContact CG2-CG 3.8Å; V69-A98 PolarHBondContact N-O 3.23Å; V69-L99 HydrophobicContact CB-CD2 3.97Å; V69-L99 HydrophobicContact CG1-CD2 4.17Å; V69-L100 PolarHBondContact O-N 3.48Å
70	V	92.6	Very high	85.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.3	-176.7	-178.5	0	0	0	0	109.9	I32 Y33 L34 V35 L100 I102 W104 L105	I32-V70 HydrophobicContact CG2-CG2 3.94Å; Y33-V70 PolarHBondContact O-N 3.34Å; L34-V70 HydrophobicContact CD2-CB 3.8Å; L34-V70 HydrophobicContact CD2-CG1 4.31Å; L34-V70 HydrophobicContact CD2-CG2 4.38Å; V35-V70 PolarHBondContact N-O 3.32Å; V70-L100 CarbonylContact C-O 3.51Å; V70-L100 WeakPolarHBondContact CA-O 3.15Å; V70-L100 HydrophobicContact CG2-CB 4.4Å; V70-I102 HydrophobicContact CG1-CB 4.45Å; V70-I102 HydrophobicContact CG1-CD1 3.85Å; V70-W104 HydrophobicContact CG2-CE3 3.96Å; V70-W104 HydrophobicContact CG2-CZ3 4.17Å; V70-L105 HydrophobicContact CG1-CB 4.02Å; V70-L105 HydrophobicContact CG1-CD2 4.34Å; V70-L105 HydrophobicContact CG2-CB 4.33Å
71	M	93.3	Very high	85.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.1	178.1	-46	-169.2	-178.9	0	0	109.9	V35 V69 T74 A79 W82 L99 L100 D101 I102 L123	V35-M71 HydrophobicContact CB-CB 4.42Å; V35-M71 HydrophobicContact CB-CG 3.93Å; V35-M71 HydrophobicContact CG1-CG 4.44Å; V35-M71 HydrophobicContact CG2-CE 4.03Å; V35-M71 HydrophobicContact CG2-CG 3.75Å; V35-M71 HydrophobicContact CG2-SD 4.39Å; V69-M71 HydrophobicContact CG1-CE 3.71Å; V69-M71 HydrophobicContact CG1-CG 4.35Å; M71-T74 HydrophobicContact CB-CG2 4.35Å; M71-T74 HydrophobicContact SD-CG2 3.75Å; M71-A79 HydrophobicContact CE-CB 3.98Å; M71-A79 HydrophobicContact SD-CB 3.56Å; M71-A79 VanDerWaalsContact SD-CB 3.56Å; M71-W82 HydrophobicContact CE-CB 4.2Å; M71-W82 HydrophobicContact CE-CD2 3.64Å; M71-W82 HydrophobicContact CE-CE3 3.37Å; M71-W82 HydrophobicContact CE-CG 4.01Å; M71-W82 HydrophobicContact CE-CZ3 4Å; M71-L99 HydrophobicContact CE-CD2 3.9Å; M71-L100 PolarHBondContact N-O 3Å; M71-D101 CarbonylContact O-C 3.25Å; M71-I102 PolarHBondContact O-N 3.46Å; M71-L123 HydrophobicContact CB-CD1 3.74Å; M71-L123 HydrophobicContact CG-CD1 4.07Å; M71-L123 HydrophobicContact SD-CD1 4.28Å
72	E	90.5	Very high	85.4	Confident	21 Å²	21	46.1 Å²	46.1	10%	0.098	26%	0.258	C	S	.	.	S	Bend	trans	-125.8	138.1	177.8	179.3	164.7	-132.4	0	0	108.9	R38 M39 R43 T74 I102	R38-E72 VanDerWaalsContact CB-O 3.27Å; R38-E72 WeakPolarHBondContact CB-O 3.4Å; M39-E72 HydrophobicContact CB-CB 4.27Å; M39-E72 HydrophobicContact CE-CB 4.21Å; M39-E72 WeakPolarHBondContact CG-OE2 3.37Å; R43-E72 WeakPolarHBondContact CD-OE2 3.49Å; R43-E72 IonicContact CZ-OE1 3.61Å; R43-E72 IonicContact CZ-OE2 2.93Å; R43-E72 IonicContact NE-OE1 2.95Å; R43-E72 PolarHBondContact NE-OE1 3.33Å; R43-E72 IonicContact NE-OE2 2.59Å; R43-E72 PolarHBondContact NE-OE2 3.23Å; R43-E72 IonicContact NH2-OE1 3.37Å; R43-E72 PolarHBondContact NH2-OE1 2.88Å; R43-E72 IonicContact NH2-OE2 2.69Å; E72-T74 PolarHBondContact O-N 2.97Å; E72-T74 PolarHBondContact O-OG1 3.28Å; E72-I102 HydrophobicContact CB-CB 4.03Å; E72-I102 HydrophobicContact CB-CG1 4.42Å; E72-I102 HydrophobicContact CB-CG2 4.28Å; E72-I102 HydrophobicContact CG-CB 4.23Å; E72-I102 HydrophobicContact CG-CG1 4.48Å; E72-I102 HydrophobicContact CG-CG2 3.99Å
73	Q	84.5	Confident	85.5	Confident	145 Å²	145	45.6 Å²	45.6	68%	0.678	25%	0.251	S	S	*	.	S	Bend	trans	52.8	30.3	179.8	-62.8	175.4	-5	0	0	113.7	R38	R38-Q73 WeakPolarHBondContact CD-O 3.41Å; R38-Q73 PolarHBondContact NH1-O 3.38Å
74	T	85.4	Confident	85.3	Confident	20 Å²	20	49.1 Å²	49.1	12%	0.123	26%	0.262	C	S	.	.			trans	-112.2	131.4	-176	-53.7	0	0	0	0	108.5	M71 E72 E78 A79	M71-T74 HydrophobicContact CB-CG2 4.35Å; M71-T74 HydrophobicContact SD-CG2 3.75Å; E72-T74 PolarHBondContact O-N 2.97Å; E72-T74 PolarHBondContact O-OG1 3.28Å; T74-E78 HydrophobicContact CG2-CB 3.61Å; T74-A79 HydrophobicContact CG2-CB 4.37Å
75	S	83.7	Confident	85.2	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	26%	0.261	S	S	.	.			trans	-73.4	163.7	176.6	87.6	0	0	0	0	111.2	E77 E78 A79	S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 VanDerWaalsContact CB-OE2 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.49Å; S75-E77 PolarHBondContact O-N 2.99Å; S75-E77 PolarHBondContact OG-N 3.34Å; S75-E77 PolarHBondContact OG-OE2 2.97Å; S75-E78 PolarHBondContact O-N 3.02Å; S75-E78 PolarHBondContact OG-N 3.05Å; S75-A79 WeakPolarHBondContact O-CB 3.36Å; S75-A79 PolarHBondContact O-N 2.95Å
76	A	81.6	Confident	84.7	Confident	21 Å²	21	54.3 Å²	54.3	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-38.9	176.6	0	0	0	0	0	112	A79 V80 V125	A76-A79 PolarHBondContact O-N 2.7Å; A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 3.09Å; A76-V125 HydrophobicContact CB-CG2 3.99Å
77	E	80	Confident	83.5	Confident	114 Å²	114	57.3 Å²	57.3	53%	0.533	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178.3	-55.6	75.7	-162.6	0	0	111.7	S75 S81 V125	S75-E77 VanDerWaalsContact C-N 3.29Å; S75-E77 VanDerWaalsContact CB-OE2 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.49Å; S75-E77 PolarHBondContact O-N 2.99Å; S75-E77 PolarHBondContact OG-N 3.34Å; S75-E77 PolarHBondContact OG-OE2 2.97Å; E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.27Å; E77-S81 PolarHBondContact O-N 2.99Å; E77-S81 PolarHBondContact O-OG 3.33Å; E77-V125 HydrophobicContact CB-CG2 4.46Å; E77-V125 HydrophobicContact CG-CG2 4.16Å
78	E	82.6	Confident	82	Confident	75 Å²	75	60.7 Å²	60.7	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-38.6	175	-70.1	-174.9	161.7	0	0	111.7	R38 T74 S75 S81 W82	R38-E78 IonicContact CZ-OE1 3.12Å; R38-E78 IonicContact CZ-OE2 3.16Å; R38-E78 IonicContact NE-OE1 2.87Å; R38-E78 IonicContact NE-OE2 3.51Å; R38-E78 PolarHBondContact NE-OE2 3.1Å; R38-E78 VanDerWaalsContact NH2-CD 3.27Å; R38-E78 IonicContact NH2-OE1 3.25Å; R38-E78 PolarHBondContact NH2-OE1 3.07Å; R38-E78 IonicContact NH2-OE2 2.66Å; R38-E78 PolarHBondContact NH2-OE2 3.23Å; T74-E78 HydrophobicContact CG2-CB 3.61Å; S75-E78 PolarHBondContact O-N 3.02Å; S75-E78 PolarHBondContact OG-N 3.05Å; E78-S81 PolarHBondContact O-N 2.9Å; E78-W82 VanDerWaalsContact O-CB 3.31Å; E78-W82 WeakPolarHBondContact O-CB 3.32Å; E78-W82 PolarHBondContact O-N 3.28Å
79	A	84.7	Confident	80.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-43.5	178.3	0	0	0	0	0	112	M71 T74 S75 A76 W82 Q83 L99 L123	M71-A79 HydrophobicContact CE-CB 3.98Å; M71-A79 HydrophobicContact SD-CB 3.56Å; M71-A79 VanDerWaalsContact SD-CB 3.56Å; T74-A79 HydrophobicContact CG2-CB 4.37Å; S75-A79 WeakPolarHBondContact O-CB 3.36Å; S75-A79 PolarHBondContact O-N 2.95Å; A76-A79 PolarHBondContact O-N 2.7Å; A79-W82 WeakPolarHBondContact O-CB 3.35Å; A79-W82 PolarHBondContact O-N 2.98Å; A79-Q83 PolarHBondContact O-N 3.41Å; A79-L99 HydrophobicContact CB-CD1 4.03Å; A79-L99 WeakPolarHBondContact O-CD1 3.42Å; A79-L123 HydrophobicContact CB-CB 3.77Å; A79-L123 HydrophobicContact CB-CD1 4.07Å
80	V	82.2	Confident	78.3	Confident	37 Å²	37	66.2 Å²	66.2	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-46.3	174.5	171.5	0	0	0	0	110.8	A76 W82 Q83 E84 L99 V125	A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 3.09Å; V80-W82 PolarHBondContact O-N 3.22Å; V80-Q83 WeakPolarHBondContact O-CA 3.42Å; V80-Q83 WeakPolarHBondContact O-CB 3.39Å; V80-Q83 PolarHBondContact O-N 2.83Å; V80-E84 HydrophobicContact CG1-CG 4.26Å; V80-E84 WeakPolarHBondContact O-CG 3.48Å; V80-E84 PolarHBondContact O-N 3.17Å; V80-L99 HydrophobicContact CG2-CD1 4.42Å; V80-V125 HydrophobicContact CB-CG2 4.19Å; V80-V125 HydrophobicContact CG2-CB 4.21Å; V80-V125 HydrophobicContact CG2-CG2 3.67Å
81	S	81.7	Confident	76.5	Confident	45 Å²	45	70.8 Å²	70.8	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-37.9	175.3	-63.1	0	0	0	0	112.1	E77 E78 R85	E77-S81 VanDerWaalsContact O-CB 3.32Å; E77-S81 WeakPolarHBondContact O-CB 3.27Å; E77-S81 PolarHBondContact O-N 2.99Å; E77-S81 PolarHBondContact O-OG 3.33Å; E78-S81 PolarHBondContact O-N 2.9Å; S81-R85 WeakPolarHBondContact O-CB 3.24Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.36Å; S81-R85 PolarHBondContact O-N 3.32Å
82	W	84.9	Confident	74.4	Confident	49 Å²	49	77.5 Å²	77.5	19%	0.186	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174.9	178.5	96.1	0	0	0	111.9	Y33 V35 V69 M71 E78 A79 V80 R86 L99	Y33-W82 HydrophobicContact CD1-CH2 4.17Å; Y33-W82 HydrophobicContact CD1-CZ2 4.27Å; Y33-W82 HydrophobicContact CE1-CH2 4.14Å; Y33-W82 AromaticContact CE1-CZ2 3.79Å; Y33-W82 HydrophobicContact CE1-CZ2 3.79Å; V35-W82 HydrophobicContact CG2-CH2 4.27Å; V35-W82 HydrophobicContact CG2-CZ2 3.87Å; V69-W82 HydrophobicContact CB-CZ3 4.45Å; V69-W82 HydrophobicContact CG1-CE3 4.39Å; V69-W82 HydrophobicContact CG1-CH2 3.76Å; V69-W82 HydrophobicContact CG1-CZ3 3.68Å; V69-W82 HydrophobicContact CG2-CH2 4.22Å; V69-W82 HydrophobicContact CG2-CZ3 4.18Å; M71-W82 HydrophobicContact CE-CB 4.2Å; M71-W82 HydrophobicContact CE-CD2 3.64Å; M71-W82 HydrophobicContact CE-CE3 3.37Å; M71-W82 HydrophobicContact CE-CG 4.01Å; M71-W82 HydrophobicContact CE-CZ3 4Å; E78-W82 VanDerWaalsContact O-CB 3.31Å; E78-W82 WeakPolarHBondContact O-CB 3.32Å; E78-W82 PolarHBondContact O-N 3.28Å; A79-W82 WeakPolarHBondContact O-CB 3.35Å; A79-W82 PolarHBondContact O-N 2.98Å; V80-W82 PolarHBondContact O-N 3.22Å; W82-R86 PolarHBondContact O-N 2.97Å; W82-L99 HydrophobicContact CE3-CD2 4.49Å; W82-L99 HydrophobicContact CZ3-CD2 4.43Å
83	Q	83.7	Confident	72.9	Confident	34 Å²	34	80.3 Å²	80.3	16%	0.159	45%	0.453	C	S	.	.	H	α-helix	trans	-68.1	-46.3	177.9	-174.6	170.5	49.1	0	0	111.5	A79 V80 R85 R86 M87 P97 L99	A79-Q83 PolarHBondContact O-N 3.41Å; V80-Q83 WeakPolarHBondContact O-CA 3.42Å; V80-Q83 WeakPolarHBondContact O-CB 3.39Å; V80-Q83 PolarHBondContact O-N 2.83Å; Q83-R85 PolarHBondContact O-N 3.26Å; Q83-R86 CarbonylContact O-C 3.14Å; Q83-R86 PolarHBondContact O-N 3.33Å; Q83-M87 HydrophobicContact CG-CG 3.94Å; Q83-M87 HydrophobicContact CG-SD 3.88Å; Q83-M87 WeakPolarHBondContact O-CG 3.15Å; Q83-M87 PolarHBondContact O-N 2.98Å; Q83-P97 PolarHBondContact NE2-O 3.08Å; Q83-L99 HydrophobicContact CB-CD1 4.04Å; Q83-L99 HydrophobicContact CB-CD2 4.35Å
84	E	78.2	Confident	71.6	Confident	123 Å²	123	76.6 Å²	76.6	58%	0.575	44%	0.442	S	S	*	.	H	α-helix	trans	-60.2	-43.4	179	-71.4	177.4	168.2	0	0	112.7	V80 R86 M87 T88	V80-E84 HydrophobicContact CG1-CG 4.26Å; V80-E84 WeakPolarHBondContact O-CG 3.48Å; V80-E84 PolarHBondContact O-N 3.17Å; E84-R86 PolarHBondContact O-N 2.83Å; E84-R86 VanDerWaalsContact O-N 3.14Å; E84-M87 PolarHBondContact O-N 2.93Å; E84-T88 PolarHBondContact O-N 3.49Å; E84-T88 PolarHBondContact O-OG1 3.41Å
85	R	77.2	Confident	70.7	Confident	200 Å²	200	82 Å²	82	76%	0.755	48%	0.475	S	S	*	.	H	α-helix	trans	-62.8	-18.1	175.1	-72.2	178.1	-158.2	177.6	7.6	113.5	S81 Q83 T88	S81-R85 WeakPolarHBondContact O-CB 3.24Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.36Å; S81-R85 PolarHBondContact O-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.26Å; R85-T88 PolarHBondContact O-OG1 3.35Å
86	R	71.7	Confident	70.4	Confident	121 Å²	121	83.3 Å²	83.3	46%	0.457	48%	0.483	S	S	.	.	H	α-helix	trans	-105.1	-29.5	178.9	-74.1	-152.6	156.9	173.4	-4.5	113.9	W82 Q83 E84 T88 A89	W82-R86 PolarHBondContact O-N 2.97Å; Q83-R86 CarbonylContact O-C 3.14Å; Q83-R86 PolarHBondContact O-N 3.33Å; E84-R86 PolarHBondContact O-N 2.83Å; E84-R86 VanDerWaalsContact O-N 3.14Å; R86-T88 VanDerWaalsContact C-N 3.32Å; R86-A89 PolarHBondContact O-N 3.16Å
87	M	62	Low	70.5	Confident	71 Å²	71	83.7 Å²	83.7	35%	0.35	48%	0.484	S	S	.	.	H	α-helix	trans	-77.9	-16.3	177.1	-65.7	-155.2	99.7	0	0	113.2	Q83 E84 A89 A90 P96	Q83-M87 HydrophobicContact CG-CG 3.94Å; Q83-M87 HydrophobicContact CG-SD 3.88Å; Q83-M87 WeakPolarHBondContact O-CG 3.15Å; Q83-M87 PolarHBondContact O-N 2.98Å; E84-M87 PolarHBondContact O-N 2.93Å; M87-A89 PolarHBondContact O-N 3.44Å; M87-A89 VanDerWaalsContact O-N 3.09Å; M87-A90 PolarHBondContact O-N 3.24Å; M87-A90 VanDerWaalsContact O-N 3.11Å; M87-P96 HydrophobicContact CE-CB 4.07Å; M87-P96 HydrophobicContact SD-CB 4.01Å
88	T	55.4	Low	70.9	Confident	124 Å²	124	79.1 Å²	79.1	76%	0.761	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.2	167.6	30.6	0	0	0	0	113.9	E84 R85 R86	E84-T88 PolarHBondContact O-N 3.49Å; E84-T88 PolarHBondContact O-OG1 3.41Å; R85-T88 PolarHBondContact O-OG1 3.35Å; R86-T88 VanDerWaalsContact C-N 3.32Å
89	A	52.9	Low	71.4	Confident	93 Å²	93	75.9 Å²	75.9	77%	0.769	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	7	176.3	0	0	0	0	0	114.3	R86 M87	R86-A89 PolarHBondContact O-N 3.16Å; M87-A89 PolarHBondContact O-N 3.44Å; M87-A89 VanDerWaalsContact O-N 3.09Å
90	A	55.9	Low	71.8	Confident	49 Å²	49	75.9 Å²	75.9	41%	0.405	45%	0.451	S	S	.	.	S	Bend	trans	-104.9	142.4	-174.4	0	0	0	0	0	112.8	M87	M87-A90 PolarHBondContact O-N 3.24Å; M87-A90 VanDerWaalsContact O-N 3.11Å
91	P	55.1	Low	72.3	Confident	97 Å²	97	76.1 Å²	76.1	63%	0.63	45%	0.45	S	S	*	.			trans	-66.6	148.8	177.2	24.5	-31.1	0	0	0	112.4	G93	P91-G93 PolarHBondContact O-N 3.44Å
92	P	49.3	Very low	72.9	Confident	141 Å²	141	74.9 Å²	74.9	92%	0.916	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	122.9	-177.4	24.3	-30.8	0	0	0	111.4
93	G	57.7	Low	73.3	Confident	81 Å²	81	73.8 Å²	73.8	84%	0.835	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.2	-4.8	174.6	0	0	0	0	0	116.6	P91	P91-G93 PolarHBondContact O-N 3.44Å
94	C	58.3	Low	73.9	Confident	66 Å²	66	72.1 Å²	72.1	45%	0.446	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-85	130.6	176.9	-70.6	0	0	0	0	112.5
95	T	66.3	Low	74.7	Confident	133 Å²	133	66.3 Å²	66.3	82%	0.816	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-63.7	128.9	169.4	-23.8	0	0	0	0	109.5
96	P	76.9	Confident	75.5	Confident	75 Å²	75	59.8 Å²	59.8	49%	0.487	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-65.6	141.9	179.6	23.9	-31.5	0	0	0	111.1	M87	M87-P96 HydrophobicContact CE-CB 4.07Å; M87-P96 HydrophobicContact SD-CB 4.01Å
97	P	84.4	Confident	76.5	Confident	30 Å²	30	57 Å²	57	20%	0.195	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-62.2	151.7	172.7	23.8	-32.1	0	0	0	111.4	A66 T67 V69 Q83 L99	A66-P97 WeakPolarHBondContact O-CB 3.33Å; T67-P97 WeakPolarHBondContact O-CA 3.46Å; V69-P97 HydrophobicContact CG2-CB 3.86Å; V69-P97 HydrophobicContact CG2-CG 3.8Å; Q83-P97 PolarHBondContact NE2-O 3.08Å; P97-L99 PolarHBondContact O-N 3.36Å
98	A	88.7	Confident	78	Confident	18 Å²	18	53.6 Å²	53.6	15%	0.149	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.9	169.8	0	0	0	0	0	109.9	T67 V69 L100	T67-A98 PolarHBondContact O-N 3.29Å; V69-A98 PolarHBondContact N-O 3.23Å; A98-L100 HydrophobicContact CB-CD1 4.41Å; A98-L100 HydrophobicContact CB-CD2 4.13Å; A98-L100 HydrophobicContact CB-CG 4.17Å
99	L	91.7	Very high	79.8	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.5	172.6	-59.6	-177.3	0	0	0	109.1	V69 M71 A79 V80 W82 Q83 P97 R122 L123	V69-L99 HydrophobicContact CB-CD2 3.97Å; V69-L99 HydrophobicContact CG1-CD2 4.17Å; M71-L99 HydrophobicContact CE-CD2 3.9Å; A79-L99 HydrophobicContact CB-CD1 4.03Å; A79-L99 WeakPolarHBondContact O-CD1 3.42Å; V80-L99 HydrophobicContact CG2-CD1 4.42Å; W82-L99 HydrophobicContact CE3-CD2 4.49Å; W82-L99 HydrophobicContact CZ3-CD2 4.43Å; Q83-L99 HydrophobicContact CB-CD1 4.04Å; Q83-L99 HydrophobicContact CB-CD2 4.35Å; P97-L99 PolarHBondContact O-N 3.36Å; L99-R122 WeakPolarHBondContact O-CA 3.49Å; L99-L123 HydrophobicContact CB-CB 4.21Å; L99-L123 PolarHBondContact O-N 3.48Å
100	L	93.1	Very high	81.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.1	-169.2	-56.9	178.4	0	0	0	112.5	H68 V69 V70 M71 A98 W104 V117 H121 R122 L123	H68-L100 HydrophobicContact CB-CD1 4.12Å; H68-L100 WeakPolarHBondContact CD2-CD1 3.44Å; V69-L100 PolarHBondContact O-N 3.48Å; V70-L100 CarbonylContact C-O 3.51Å; V70-L100 WeakPolarHBondContact CA-O 3.15Å; V70-L100 HydrophobicContact CG2-CB 4.4Å; M71-L100 PolarHBondContact N-O 3Å; A98-L100 HydrophobicContact CB-CD1 4.41Å; A98-L100 HydrophobicContact CB-CD2 4.13Å; A98-L100 HydrophobicContact CB-CG 4.17Å; L100-W104 HydrophobicContact CB-CB 4.41Å; L100-W104 HydrophobicContact CD1-CB 4.3Å; L100-W104 HydrophobicContact CD1-CD2 3.58Å; L100-W104 HydrophobicContact CD1-CE3 3.76Å; L100-W104 HydrophobicContact CD1-CG 3.81Å; L100-W104 HydrophobicContact CD1-CZ3 4.37Å; L100-V117 HydrophobicContact CD1-CG2 4.19Å; L100-V117 HydrophobicContact CD2-CG1 3.49Å; L100-V117 VanDerWaalsContact CD2-CG1 3.49Å; L100-V117 HydrophobicContact CD2-CG2 4.42Å; L100-H121 CarbonylContact C-O 3.46Å; L100-H121 WeakPolarHBondContact CA-O 3.35Å; L100-H121 HydrophobicContact CD2-CB 4.27Å; L100-H121 WeakPolarHBondContact CD2-O 3.34Å; L100-R122 HydrophobicContact CD2-CG 3.98Å; L100-L123 WeakPolarHBondContact O-CD1 3.37Å
101	D	93.8	Very high	83.3	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.219	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	157.2	167.5	178.4	-102.5	0	0	0	110.8	M71 S103 W104 H121 L123	M71-D101 CarbonylContact O-C 3.25Å; D101-S103 PolarHBondContact O-N 3.16Å; D101-S103 VanDerWaalsContact O-N 3.13Å; D101-S103 WeakPolarHBondContact OD1-CB 3.4Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 3.28Å; D101-W104 PolarHBondContact O-N 3.42Å; D101-H121 PolarHBondContact N-O 3.49Å; D101-L123 HydrophobicContact CB-CD2 4Å; D101-L123 HydrophobicContact CB-CG 4.19Å
102	I	94.1	Very high	85	Confident	19 Å²	19	45 Å²	45	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-57.4	-27.3	-180	-168.8	59.6	0	0	0	112.9	M39 L47 V70 M71 E72 W104 L105 T106	M39-I102 HydrophobicContact CE-CD1 4.17Å; L47-I102 HydrophobicContact CD1-CD1 3.74Å; V70-I102 HydrophobicContact CG1-CB 4.45Å; V70-I102 HydrophobicContact CG1-CD1 3.85Å; M71-I102 PolarHBondContact O-N 3.46Å; E72-I102 HydrophobicContact CB-CB 4.03Å; E72-I102 HydrophobicContact CB-CG1 4.42Å; E72-I102 HydrophobicContact CB-CG2 4.28Å; E72-I102 HydrophobicContact CG-CB 4.23Å; E72-I102 HydrophobicContact CG-CG1 4.48Å; E72-I102 HydrophobicContact CG-CG2 3.99Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.92Å; I102-L105 HydrophobicContact CD1-CB 4.24Å; I102-L105 HydrophobicContact CD1-CD2 3.93Å; I102-L105 PolarHBondContact O-N 3.01Å; I102-L105 VanDerWaalsContact O-N 3.07Å; I102-T106 HydrophobicContact CG1-CG2 4.29Å; I102-T106 PolarHBondContact O-N 3.4Å; I102-T106 PolarHBondContact O-OG1 3.27Å
103	S	93.1	Very high	87	Confident	26 Å²	26	43.9 Å²	43.9	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-48	-47.8	174.4	48.8	0	0	0	0	112.5	D101 L105 T106 E107	D101-S103 PolarHBondContact O-N 3.16Å; D101-S103 VanDerWaalsContact O-N 3.13Å; D101-S103 WeakPolarHBondContact OD1-CB 3.4Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 3.28Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.2Å; S103-T106 WeakPolarHBondContact CA-OG1 3.38Å; S103-T106 PolarHBondContact O-N 3Å; S103-T106 VanDerWaalsContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.04Å; S103-E107 WeakPolarHBondContact O-CG 3.09Å; S103-E107 PolarHBondContact O-N 3.22Å
104	W	96.1	Very high	88.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-42.3	179.5	177.9	80.7	0	0	0	112.8	V30 I32 H68 V70 L100 D101 I102 S108 P114 V115 H121	V30-W104 HydrophobicContact CG1-CH2 3.86Å; V30-W104 HydrophobicContact CG1-CZ2 4.48Å; I32-W104 HydrophobicContact CD1-CH2 4Å; I32-W104 HydrophobicContact CD1-CZ3 3.81Å; I32-W104 HydrophobicContact CG1-CH2 4.28Å; I32-W104 HydrophobicContact CG1-CZ3 4.13Å; H68-W104 HydrophobicContact CB-CH2 4.32Å; H68-W104 HydrophobicContact CB-CZ3 4.27Å; H68-W104 AromaticContact CD2-CE2 3.85Å; H68-W104 AromaticContact CD2-CH2 3.37Å; H68-W104 WeakPolarHBondContact CD2-CH2 3Å; H68-W104 AromaticContact CD2-CZ2 3.34Å; H68-W104 WeakPolarHBondContact CD2-CZ2 3.18Å; H68-W104 AromaticContact CD2-CZ3 3.9Å; H68-W104 AromaticContact CG-CH2 3.94Å; H68-W104 AromaticContact NE2-CZ2 3.65Å; V70-W104 HydrophobicContact CG2-CE3 3.96Å; V70-W104 HydrophobicContact CG2-CZ3 4.17Å; L100-W104 HydrophobicContact CB-CB 4.41Å; L100-W104 HydrophobicContact CD1-CB 4.3Å; L100-W104 HydrophobicContact CD1-CD2 3.58Å; L100-W104 HydrophobicContact CD1-CE3 3.76Å; L100-W104 HydrophobicContact CD1-CG 3.81Å; L100-W104 HydrophobicContact CD1-CZ3 4.37Å; D101-W104 PolarHBondContact O-N 3.42Å; I102-W104 VanDerWaalsContact C-N 3.29Å; I102-W104 PolarHBondContact O-N 2.92Å; W104-S108 VanDerWaalsContact O-CB 3.27Å; W104-S108 WeakPolarHBondContact O-CB 3.24Å; W104-S108 PolarHBondContact O-N 3.23Å; W104-S108 PolarHBondContact O-OG 3.26Å; W104-P114 HydrophobicContact CZ2-CB 4.15Å; W104-V115 PolarHBondContact NE1-O 3.14Å; W104-H121 HydrophobicContact CB-CB 3.87Å; W104-H121 AromaticContact CD1-CG 3.87Å; W104-H121 AromaticContact CD1-ND1 3.64Å; W104-H121 HydrophobicContact CG-CB 4.36Å
105	L	94.4	Very high	90.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-41.8	178.3	-179.5	63.8	0	0	0	110.1	I32 L34 L47 V70 I102 S103 S108 L109	I32-L105 HydrophobicContact CD1-CD1 3.97Å; L34-L105 HydrophobicContact CD1-CD2 4.46Å; L34-L105 HydrophobicContact CD2-CD2 3.59Å; L47-L105 HydrophobicContact CB-CD2 4.47Å; L47-L105 HydrophobicContact CD1-CD2 4.47Å; V70-L105 HydrophobicContact CG1-CB 4.02Å; V70-L105 HydrophobicContact CG1-CD2 4.34Å; V70-L105 HydrophobicContact CG2-CB 4.33Å; I102-L105 HydrophobicContact CD1-CB 4.24Å; I102-L105 HydrophobicContact CD1-CD2 3.93Å; I102-L105 PolarHBondContact O-N 3.01Å; I102-L105 VanDerWaalsContact O-N 3.07Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.2Å; L105-S108 PolarHBondContact O-N 2.74Å; L105-L109 HydrophobicContact CD1-CD1 4.18Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.9Å; L105-L109 HydrophobicContact CG-CG 4.24Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.82Å
106	T	93.8	Very high	91.5	Very high	63 Å²	63	38.4 Å²	38.4	39%	0.387	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-40.9	178.5	53.6	0	0	0	0	112.5	I102 S103 L109 A110	I102-T106 HydrophobicContact CG1-CG2 4.29Å; I102-T106 PolarHBondContact O-N 3.4Å; I102-T106 PolarHBondContact O-OG1 3.27Å; S103-T106 WeakPolarHBondContact CA-OG1 3.38Å; S103-T106 PolarHBondContact O-N 3Å; S103-T106 VanDerWaalsContact O-N 3.12Å; S103-T106 PolarHBondContact O-OG1 3.04Å; T106-L109 PolarHBondContact O-N 2.88Å; T106-A110 WeakPolarHBondContact O-CB 3.49Å; T106-A110 PolarHBondContact O-N 3.45Å
107	E	93.8	Very high	92.1	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-45	175.1	-72.2	-178	-150.2	0	0	111.2	S103 L109 A110 A111 V115 R120 H121	S103-E107 WeakPolarHBondContact O-CG 3.09Å; S103-E107 PolarHBondContact O-N 3.22Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.84Å; E107-A110 PolarHBondContact O-N 3.22Å; E107-A111 WeakPolarHBondContact O-CB 3.45Å; E107-A111 PolarHBondContact O-N 3.38Å; E107-V115 HydrophobicContact CB-CG2 4.14Å; E107-R120 IonicContact OE1-NE 2.64Å; E107-R120 IonicContact OE1-NH2 2.64Å; E107-R120 IonicContact OE2-CZ 2.96Å; E107-R120 IonicContact OE2-NE 3.99Å; E107-R120 IonicContact OE2-NH2 2.84Å; E107-R120 PolarHBondContact OE2-NH2 2.81Å; E107-H121 IonicContact OE1-NE2 2.67Å; E107-H121 PolarHBondContact OE1-NE2 3.34Å; E107-H121 IonicContact OE2-CE1 3.42Å; E107-H121 IonicContact OE2-NE2 3.94Å; E107-H121 PolarHBondContact OE2-NE2 2.86Å; E107-H121 VanDerWaalsContact OE2-NE2 3.13Å
108	S	93.4	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-40.6	176	-62.5	0	0	0	0	112.3	W104 L105 G112 Q113 V115	W104-S108 VanDerWaalsContact O-CB 3.27Å; W104-S108 WeakPolarHBondContact O-CB 3.24Å; W104-S108 PolarHBondContact O-N 3.23Å; W104-S108 PolarHBondContact O-OG 3.26Å; L105-S108 PolarHBondContact O-N 2.74Å; S108-G112 PolarHBondContact O-N 2.93Å; S108-Q113 CarbonylContact C-O 3.56Å; S108-Q113 VanDerWaalsContact CA-O 3.31Å; S108-Q113 WeakPolarHBondContact CA-O 3.25Å; S108-Q113 PolarHBondContact O-N 2.99Å; S108-Q113 VanDerWaalsContact O-O 3.08Å; S108-V115 PolarHBondContact OG-N 3.25Å
109	L	93.4	Very high	91.8	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-38.6	175.2	-69.7	174.6	0	0	0	111.3	L47 L50 A51 K54 F56 L105 T106 E107 G112	L47-L109 HydrophobicContact CD2-CD1 4.36Å; L50-L109 HydrophobicContact CD2-CD1 3.94Å; L50-L109 HydrophobicContact CG-CD1 4.19Å; L50-L109 HydrophobicContact CG-CD2 4.43Å; A51-L109 HydrophobicContact CB-CD2 3.87Å; K54-L109 HydrophobicContact CD-CD2 4.19Å; K54-L109 WeakPolarHBondContact CD-O 3.21Å; K54-L109 WeakPolarHBondContact CE-O 3.38Å; K54-L109 PolarHBondContact NZ-O 3.04Å; F56-L109 HydrophobicContact CD2-CD2 4.12Å; F56-L109 HydrophobicContact CE2-CD2 3.99Å; L105-L109 HydrophobicContact CD1-CD1 4.18Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.9Å; L105-L109 HydrophobicContact CG-CG 4.24Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.82Å; T106-L109 PolarHBondContact O-N 2.88Å; E107-L109 VanDerWaalsContact C-N 3.34Å; E107-L109 PolarHBondContact O-N 2.84Å; L109-G112 PolarHBondContact O-N 2.95Å
110	A	91.7	Very high	91.5	Very high	84 Å²	84	50.9 Å²	50.9	69%	0.694	30%	0.302	S	S	*	.	H	α-helix	trans	-64.9	-45	176.4	0	0	0	0	0	111.6	T106 E107 G112	T106-A110 WeakPolarHBondContact O-CB 3.49Å; T106-A110 PolarHBondContact O-N 3.45Å; E107-A110 PolarHBondContact O-N 3.22Å; A110-G112 VanDerWaalsContact C-N 3.28Å; A110-G112 PolarHBondContact O-N 3.06Å
111	A	89.7	Confident	91.3	Very high	59 Å²	59	50.9 Å²	50.9	49%	0.488	30%	0.302	S	S	.	.	H	α-helix	trans	-71.9	-18.4	177.8	0	0	0	0	0	113.8	E107 Q113 V115	E107-A111 WeakPolarHBondContact O-CB 3.45Å; E107-A111 PolarHBondContact O-N 3.38Å; A111-Q113 HydrophobicContact CB-CG 4.49Å; A111-Q113 PolarHBondContact O-N 3.4Å; A111-V115 HydrophobicContact CB-CG1 3.93Å
112	G	90.3	Very high	91.1	Very high	30 Å²	30	53.9 Å²	53.9	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	7.1	-177.4	0	0	0	0	0	114.6	S108 L109 A110	S108-G112 PolarHBondContact O-N 2.93Å; L109-G112 PolarHBondContact O-N 2.95Å; A110-G112 VanDerWaalsContact C-N 3.28Å; A110-G112 PolarHBondContact O-N 3.06Å
113	Q	92.1	Very high	90.6	Very high	117 Å²	117	53.8 Å²	53.8	55%	0.547	31%	0.309	S	S	.	.	S	Bend	trans	-150.9	158.5	177	65.2	178.7	13.6	0	0	110.2	F27 S108 A111 V115	F27-Q113 HydrophobicContact CE1-CB 3.92Å; F27-Q113 HydrophobicContact CZ-CB 3.79Å; S108-Q113 CarbonylContact C-O 3.56Å; S108-Q113 VanDerWaalsContact CA-O 3.31Å; S108-Q113 WeakPolarHBondContact CA-O 3.25Å; S108-Q113 PolarHBondContact O-N 2.99Å; S108-Q113 VanDerWaalsContact O-O 3.08Å; A111-Q113 HydrophobicContact CB-CG 4.49Å; A111-Q113 PolarHBondContact O-N 3.4Å; Q113-V115 PolarHBondContact O-N 3.29Å
114	P	91.9	Very high	89.7	Confident	32 Å²	32	57.5 Å²	57.5	21%	0.208	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-59.9	121.3	175	-17.9	28.7	0	0	0	111	F27 V30 F56 W104	F27-P114 HydrophobicContact CB-CG 3.99Å; F27-P114 VanDerWaalsContact CD1-CD 3.5Å; F27-P114 HydrophobicContact CD1-CG 4Å; F27-P114 HydrophobicContact CD2-CG 4.12Å; F27-P114 HydrophobicContact CG-CG 3.75Å; V30-P114 HydrophobicContact CB-CG 4.24Å; V30-P114 HydrophobicContact CG1-CG 4.38Å; V30-P114 HydrophobicContact CG2-CB 4.02Å; V30-P114 HydrophobicContact CG2-CG 3.88Å; F56-P114 HydrophobicContact CD1-CG 4.27Å; F56-P114 HydrophobicContact CE1-CB 4.23Å; F56-P114 HydrophobicContact CE1-CG 3.69Å; F56-P114 HydrophobicContact CZ-CG 4.48Å; W104-P114 HydrophobicContact CZ2-CB 4.15Å
115	V	93	Very high	87.8	Confident	28 Å²	28	60.5 Å²	60.5	17%	0.17	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-80.5	153.9	173	-61	0	0	0	0	110.6	W104 E107 S108 A111 Q113 V117	W104-V115 PolarHBondContact NE1-O 3.14Å; E107-V115 HydrophobicContact CB-CG2 4.14Å; S108-V115 PolarHBondContact OG-N 3.25Å; A111-V115 HydrophobicContact CB-CG1 3.93Å; Q113-V115 PolarHBondContact O-N 3.29Å; V115-V117 PolarHBondContact O-N 3.43Å
116	P	92.2	Very high	85.3	Confident	105 Å²	105	64 Å²	64	68%	0.682	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-53.2	138	172.5	-26	35.3	0	0	0	112.1	E118	P116-E118 PolarHBondContact O-N 2.81Å
117	V	89.4	Confident	82.8	Confident	40 Å²	40	64.1 Å²	64.1	24%	0.242	38%	0.377	C	S	.	.			trans	-76.5	97.7	177.3	179.9	0	0	0	0	109.6	L100 V115 H121 R122	L100-V117 HydrophobicContact CD1-CG2 4.19Å; L100-V117 HydrophobicContact CD2-CG1 3.49Å; L100-V117 VanDerWaalsContact CD2-CG1 3.49Å; L100-V117 HydrophobicContact CD2-CG2 4.42Å; V115-V117 PolarHBondContact O-N 3.43Å; V117-H121 HydrophobicContact CG1-CB 4.39Å; V117-R122 HydrophobicContact CG1-CG 3.64Å
118	E	87.1	Confident	80.1	Confident	87 Å²	87	67 Å²	67	41%	0.407	40%	0.401	S	S	.	.			trans	-81	165.7	171.3	-59.8	-179.2	-148.7	0	0	113.3	P116 R120 H121	P116-E118 PolarHBondContact O-N 2.81Å; E118-R120 HydrophobicContact CB-CG 4.19Å; E118-R120 PolarHBondContact O-N 3.43Å; E118-R120 IonicContact OE1-CZ 2.95Å; E118-R120 IonicContact OE1-NH1 3.8Å; E118-R120 IonicContact OE1-NH2 3.63Å; E118-R120 PolarHBondContact OE1-NH2 3.33Å; E118-R120 VanDerWaalsContact OE1-NH2 3.17Å; E118-R120 IonicContact OE2-CZ 3.26Å; E118-R120 IonicContact OE2-NE 2.84Å; E118-R120 IonicContact OE2-NH1 3.34Å; E118-R120 PolarHBondContact OE2-NH1 3.01Å; E118-R120 IonicContact OE2-NH2 2.83Å; E118-H121 PolarHBondContact N-ND1 2.84Å; E118-H121 WeakPolarHBondContact O-CB 3.42Å; E118-H121 PolarHBondContact O-N 2.7Å
119	C	79.3	Confident	77.2	Confident	120 Å²	120	76.8 Å²	76.8	81%	0.811	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-57.6	-34.9	178.5	-60.5	0	0	0	0	113.2	H121 R122	C119-H121 PolarHBondContact O-N 2.79Å; C119-R122 PolarHBondContact O-N 2.97Å
120	R	85.5	Confident	74.5	Confident	146 Å²	146	82.6 Å²	82.6	55%	0.551	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-64.6	-20.8	178	66.2	169.7	-174.1	-106.8	-6.7	113.8	E107 E118	E107-R120 IonicContact OE1-NE 2.64Å; E107-R120 IonicContact OE1-NH2 2.64Å; E107-R120 IonicContact OE2-CZ 2.96Å; E107-R120 IonicContact OE2-NE 3.99Å; E107-R120 IonicContact OE2-NH2 2.84Å; E107-R120 PolarHBondContact OE2-NH2 2.81Å; E118-R120 HydrophobicContact CB-CG 4.19Å; E118-R120 PolarHBondContact O-N 3.43Å; E118-R120 IonicContact OE1-CZ 2.95Å; E118-R120 IonicContact OE1-NH1 3.8Å; E118-R120 IonicContact OE1-NH2 3.63Å; E118-R120 PolarHBondContact OE1-NH2 3.33Å; E118-R120 VanDerWaalsContact OE1-NH2 3.17Å; E118-R120 IonicContact OE2-CZ 3.26Å; E118-R120 IonicContact OE2-NE 2.84Å; E118-R120 IonicContact OE2-NH1 3.34Å; E118-R120 PolarHBondContact OE2-NH1 3.01Å; E118-R120 IonicContact OE2-NH2 2.83Å
121	H	88.8	Confident	71.7	Confident	0 Å²	0	81 Å²	81	0%	0	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-87.7	-20.8	-178.9	-62.6	143	0	0	0	113	L100 D101 W104 E107 V117 E118 C119	L100-H121 CarbonylContact C-O 3.46Å; L100-H121 WeakPolarHBondContact CA-O 3.35Å; L100-H121 HydrophobicContact CD2-CB 4.27Å; L100-H121 WeakPolarHBondContact CD2-O 3.34Å; D101-H121 PolarHBondContact N-O 3.49Å; W104-H121 HydrophobicContact CB-CB 3.87Å; W104-H121 AromaticContact CD1-CG 3.87Å; W104-H121 AromaticContact CD1-ND1 3.64Å; W104-H121 HydrophobicContact CG-CB 4.36Å; E107-H121 IonicContact OE1-NE2 2.67Å; E107-H121 PolarHBondContact OE1-NE2 3.34Å; E107-H121 IonicContact OE2-CE1 3.42Å; E107-H121 IonicContact OE2-NE2 3.94Å; E107-H121 PolarHBondContact OE2-NE2 2.86Å; E107-H121 VanDerWaalsContact OE2-NE2 3.13Å; V117-H121 HydrophobicContact CG1-CB 4.39Å; E118-H121 PolarHBondContact N-ND1 2.84Å; E118-H121 WeakPolarHBondContact O-CB 3.42Å; E118-H121 PolarHBondContact O-N 2.7Å; C119-H121 PolarHBondContact O-N 2.79Å
122	R	89.9	Confident	69.2	Low	103 Å²	103	83.4 Å²	83.4	39%	0.389	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-87.9	131.1	-169.5	-69.7	-179.3	176.8	-113.4	0	111.9	L99 L100 V117 C119 E124	L99-R122 WeakPolarHBondContact O-CA 3.49Å; L100-R122 HydrophobicContact CD2-CG 3.98Å; V117-R122 HydrophobicContact CG1-CG 3.64Å; C119-R122 PolarHBondContact O-N 2.97Å; R122-E124 HydrophobicContact CB-CG 4.17Å; R122-E124 WeakPolarHBondContact CD-OE1 3.3Å; R122-E124 IonicContact CZ-OE1 3.02Å; R122-E124 IonicContact NE-OE1 3.09Å; R122-E124 IonicContact NH1-OE1 2.68Å; R122-E124 PolarHBondContact NH1-OE1 2.93Å; R122-E124 PolarHBondContact O-N 3.12Å
123	L	84.7	Confident	66.7	Low	17 Å²	17	84.6 Å²	84.6	9%	0.089	46%	0.464	C	S	.	.			trans	-91.3	55.1	169	-63.5	174.8	0	0	0	109.7	M71 A79 L99 L100 D101	M71-L123 HydrophobicContact CB-CD1 3.74Å; M71-L123 HydrophobicContact CG-CD1 4.07Å; M71-L123 HydrophobicContact SD-CD1 4.28Å; A79-L123 HydrophobicContact CB-CB 3.77Å; A79-L123 HydrophobicContact CB-CD1 4.07Å; L99-L123 HydrophobicContact CB-CB 4.21Å; L99-L123 PolarHBondContact O-N 3.48Å; L100-L123 WeakPolarHBondContact O-CD1 3.37Å; D101-L123 HydrophobicContact CB-CD2 4Å; D101-L123 HydrophobicContact CB-CG 4.19Å
124	E	72.6	Confident	64.2	Low	105 Å²	105	82.8 Å²	82.8	49%	0.491	46%	0.464	S	S	.	.			trans	-95.6	130.9	177.2	-75.2	175	-172	0	0	109.8	R122 T126	R122-E124 HydrophobicContact CB-CG 4.17Å; R122-E124 WeakPolarHBondContact CD-OE1 3.3Å; R122-E124 IonicContact CZ-OE1 3.02Å; R122-E124 IonicContact NE-OE1 3.09Å; R122-E124 IonicContact NH1-OE1 2.68Å; R122-E124 PolarHBondContact NH1-OE1 2.93Å; R122-E124 PolarHBondContact O-N 3.12Å; E124-T126 PolarHBondContact O-N 3.49Å; E124-T126 VanDerWaalsContact O-N 3.11Å
125	V	56.3	Low	62.1	Low	62 Å²	62	84.7 Å²	84.7	38%	0.376	48%	0.477	S	S	.	.			trans	-69.3	107.5	161.7	178.6	0	0	0	0	105.1	A76 E77 V80 G127	A76-V125 HydrophobicContact CB-CG2 3.99Å; E77-V125 HydrophobicContact CB-CG2 4.46Å; E77-V125 HydrophobicContact CG-CG2 4.16Å; V80-V125 HydrophobicContact CB-CG2 4.19Å; V80-V125 HydrophobicContact CG2-CB 4.21Å; V80-V125 HydrophobicContact CG2-CG2 3.67Å; V125-G127 PolarHBondContact O-N 3.46Å
126	T	42.5	Very low	60.2	Low	74 Å²	74	87.4 Å²	87.4	45%	0.454	50%	0.502	S	S	.	.			trans	-47.8	114.7	164	46	0	0	0	0	107	E124 R129	E124-T126 PolarHBondContact O-N 3.49Å; E124-T126 VanDerWaalsContact O-N 3.11Å; T126-R129 PolarHBondContact O-N 2.89Å; T126-R129 WeakPolarHBondContact OG1-CD 3.46Å; T126-R129 WeakPolarHBondContact OG1-CG 3.48Å
127	G	42.3	Very low	59.2	Low	65 Å²	65	90.8 Å²	90.8	67%	0.67	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	142.3	174.2	0	0	0	0	0	109.6	V125 R129	V125-G127 PolarHBondContact O-N 3.46Å; G127-R129 PolarHBondContact O-N 3.01Å
128	P	35.6	Very low	59.3	Low	123 Å²	123	89.6 Å²	89.6	80%	0.799	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.9	101.5	-134.4	25.1	-34.3	0	0	0	110.6	K130	P128-K130 PolarHBondContact O-N 3.24Å
129	R	33.5	Very low	59.7	Low	206 Å²	206	86.3 Å²	86.3	78%	0.777	48%	0.479	S	S	*	.			trans	-53.7	102.3	145	-97	178.7	172	174.7	-2.4	103.1	T126 G127 G131	T126-R129 PolarHBondContact O-N 2.89Å; T126-R129 WeakPolarHBondContact OG1-CD 3.46Å; T126-R129 WeakPolarHBondContact OG1-CG 3.48Å; G127-R129 PolarHBondContact O-N 3.01Å; R129-G131 PolarHBondContact O-N 3.23Å
130	K	35.9	Very low	60.4	Low	132 Å²	132	83.4 Å²	83.4	57%	0.574	46%	0.458	S	S	*	.			trans	-38.2	119.9	148.6	-79.6	173.6	176.7	170.3	0	102.7	P128 L133	P128-K130 PolarHBondContact O-N 3.24Å; K130-L133 HydrophobicContact CD-CD2 4.06Å
131	G	32.9	Very low	61	Low	49 Å²	49	77.3 Å²	77.3	51%	0.505	44%	0.435	S	S	.	.			trans	-51	-176.6	168.2	0	0	0	0	0	109	R129 L133	R129-G131 PolarHBondContact O-N 3.23Å; G131-L133 PolarHBondContact O-N 3.19Å
132	P	36.5	Very low	61.5	Low	111 Å²	111	77.3 Å²	77.3	72%	0.721	44%	0.435	S	S	*	.	S	Bend	trans	-44.6	118.3	153.6	23.7	-31.5	0	0	0	105.8	S134 P190	P132-S134 PolarHBondContact O-N 2.95Å; P132-P190 HydrophobicContact CB-CG 4.3Å
133	L	38.8	Very low	61.9	Low	55 Å²	55	72.4 Å²	72.4	29%	0.288	42%	0.416	S	S	.	.			trans	-44	113.4	-179.7	-81.4	160.3	0	0	0	103.8	K130 G131 P135	K130-L133 HydrophobicContact CD-CD2 4.06Å; G131-L133 PolarHBondContact O-N 3.19Å; L133-P135 WeakPolarHBondContact O-CD 3.37Å
134	S	39	Very low	62.5	Low	78 Å²	78	75.3 Å²	75.3	55%	0.545	43%	0.43	S	S	.	.			trans	-47.4	127.9	165	44.4	0	0	0	0	104	P132 A136 W137	P132-S134 PolarHBondContact O-N 2.95Å; S134-A136 PolarHBondContact O-N 3.37Å; S134-W137 PolarHBondContact O-N 2.87Å; S134-W137 VanDerWaalsContact O-N 3.16Å
135	P	47.9	Very low	63.7	Low	73 Å²	73	70.5 Å²	70.5	47%	0.474	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-17.9	-175.2	-29.4	32.8	0	0	0	113.8	L133 W137	L133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-W137 VanDerWaalsContact C-N 3.3Å; P135-W137 PolarHBondContact O-N 3.16Å
136	A	53.4	Low	65.7	Low	84 Å²	84	70.8 Å²	70.8	69%	0.694	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.5	173.6	0	0	0	0	0	118	S134	S134-A136 PolarHBondContact O-N 3.37Å
137	W	72	Confident	68.3	Low	177 Å²	177	67.2 Å²	67.2	67%	0.67	39%	0.388	S	S	*	.			trans	-146.6	77.6	175.6	-159.4	56	0	0	0	115.1	S134 P135	S134-W137 PolarHBondContact O-N 2.87Å; S134-W137 VanDerWaalsContact O-N 3.16Å; P135-W137 VanDerWaalsContact C-N 3.3Å; P135-W137 PolarHBondContact O-N 3.16Å
138	M	91.1	Very high	70.9	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.069	37%	0.369	C	S	.	.			trans	-88.7	121.9	167.9	176.5	62	70.9	0	0	110.6	R145 V185 A188 L189 L202 P203	M138-R145 HydrophobicContact SD-CB 4.31Å; M138-V185 HydrophobicContact CG-CG1 4.1Å; M138-A188 HydrophobicContact CE-CB 4.21Å; M138-A188 HydrophobicContact SD-CB 4.47Å; M138-L189 HydrophobicContact CE-CD2 3.81Å; M138-L202 HydrophobicContact CB-CD2 3.74Å; M138-L202 HydrophobicContact CG-CD2 4.4Å; M138-P203 HydrophobicContact CB-CG 4.43Å; M138-P203 HydrophobicContact CG-CG 4.07Å
139	P	94.8	Very high	73.8	Confident	18 Å²	18	63.6 Å²	63.6	12%	0.117	35%	0.349	C	S	.	.			trans	-60.9	141.3	176.2	-24.9	34.9	0	0	0	113.2	Y141 Q144 R145	P139-Y141 PolarHBondContact O-N 2.83Å; P139-Q144 HydrophobicContact CB-CB 3.6Å; P139-Q144 HydrophobicContact CG-CB 4.2Å; P139-R145 PolarHBondContact O-NH1 2.79Å
140	T	95.5	Very high	76.8	Confident	59 Å²	59	59.6 Å²	59.6	36%	0.362	35%	0.347	S	S	.	.	S	Bend	trans	-66	-37.9	-178	-51.8	0	0	0	0	112.9	R145 P203 H204	T140-R145 VanDerWaalsContact C-NH1 3.25Å; T140-R145 PolarHBondContact O-NH1 3.44Å; T140-P203 HydrophobicContact CG2-CB 4.33Å; T140-H204 VanDerWaalsContact CG2-CE1 3.41Å; T140-H204 WeakPolarHBondContact CG2-CE1 3.32Å; T140-H204 VanDerWaalsContact CG2-NE2 3.29Å; T140-H204 WeakPolarHBondContact CG2-NE2 3.32Å; T140-H204 PolarHBondContact O-NE2 3.29Å
141	Y	98.1	Very high	79.8	Confident	18 Å²	18	54.8 Å²	54.8	7%	0.071	33%	0.327	C	S	.	.	S	Bend	trans	-90.9	135.1	-174	-64	-95.7	0	0	0	112.1	P139 C143 Q144 R145 R446 F447 E451	P139-Y141 PolarHBondContact O-N 2.83Å; Y141-C143 PolarHBondContact O-N 3.1Å; Y141-Q144 WeakPolarHBondContact O-CB 3.31Å; Y141-Q144 PolarHBondContact O-N 3.06Å; Y141-R145 PolarHBondContact O-NH1 3.36Å; Y141-R145 VanDerWaalsContact O-NH1 3.16Å; Y141-R446 HydrophobicContact CE1-CB 4.26Å; Y141-R446 HydrophobicContact CE1-CG 3.99Å; Y141-R446 PolarHBondContact OH-NH1 3.44Å; Y141-F447 HydrophobicContact CD1-CB 3.55Å; Y141-F447 HydrophobicContact CD1-CD2 4.13Å; Y141-F447 HydrophobicContact CD1-CG 4.35Å; Y141-F447 AromaticContact CD2-CD2 3.8Å; Y141-F447 HydrophobicContact CD2-CD2 3.8Å; Y141-F447 VanDerWaalsContact CE1-CA 3.46Å; Y141-F447 HydrophobicContact CE1-CB 3.81Å; Y141-F447 HydrophobicContact CE1-CD2 4.34Å; Y141-F447 HydrophobicContact CE2-CD2 4.08Å; Y141-F447 HydrophobicContact CG-CB 4.04Å; Y141-F447 AromaticContact CG-CD2 3.84Å; Y141-F447 HydrophobicContact CG-CD2 3.84Å; Y141-F447 HydrophobicContact CG-CG 4.42Å; Y141-E451 HydrophobicContact CE2-CG 3.81Å; Y141-E451 WeakPolarHBondContact CE2-OE1 3.47Å; Y141-E451 VanDerWaalsContact CZ-OE1 3.25Å; Y141-E451 PolarHBondContact OH-OE1 3.29Å
142	A	98.3	Very high	82.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.1	-27.4	179.8	0	0	0	0	0	113.4	Q144 R145 E443 A494	A142-Q144 PolarHBondContact O-N 3.05Å; A142-R145 PolarHBondContact O-N 2.99Å; A142-R145 VanDerWaalsContact O-O 3.13Å; A142-E443 HydrophobicContact CB-CB 3.79Å; A142-E443 HydrophobicContact CB-CG 3.89Å; A142-A494 HydrophobicContact CB-CB 3.72Å
143	C	98.2	Very high	85.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-71.8	-5.2	175.7	58.3	0	0	0	0	114.8	Y141 F440 L444 F447 L484 L487	Y141-C143 PolarHBondContact O-N 3.1Å; C143-F440 HydrophobicContact CB-CE2 4.17Å; C143-F440 HydrophobicContact CB-CZ 4.09Å; C143-L444 HydrophobicContact CB-CB 3.97Å; C143-L444 HydrophobicContact CB-CD1 3.57Å; C143-L444 HydrophobicContact CB-CG 4.36Å; C143-F447 VanDerWaalsContact SG-CB 3.56Å; C143-L484 HydrophobicContact CB-CD1 4.12Å; C143-L487 WeakPolarHBondContact O-CD1 3.48Å
144	Q	98.3	Very high	88.6	Confident	78 Å²	78	52.9 Å²	52.9	36%	0.364	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-107.4	4.2	178.4	-65.9	179.2	-57.7	0	0	113	P139 Y141 A142 F447 L484	P139-Q144 HydrophobicContact CB-CB 3.6Å; P139-Q144 HydrophobicContact CG-CB 4.2Å; Y141-Q144 WeakPolarHBondContact O-CB 3.31Å; Y141-Q144 PolarHBondContact O-N 3.06Å; A142-Q144 PolarHBondContact O-N 3.05Å; Q144-F447 HydrophobicContact CG-CE2 4.34Å; Q144-L484 HydrophobicContact CG-CD2 3.54Å
145	R	96.3	Very high	91.4	Very high	4 Å²	4	53 Å²	53	2%	0.015	30%	0.299	C	S	.	.	S	Bend	trans	-133.2	134.4	-178.2	56.9	-175.3	179.6	-97.3	-2.6	110.5	M138 P139 T140 Y141 A142 T147 S184 A188 L487	M138-R145 HydrophobicContact SD-CB 4.31Å; P139-R145 PolarHBondContact O-NH1 2.79Å; T140-R145 VanDerWaalsContact C-NH1 3.25Å; T140-R145 PolarHBondContact O-NH1 3.44Å; Y141-R145 PolarHBondContact O-NH1 3.36Å; Y141-R145 VanDerWaalsContact O-NH1 3.16Å; A142-R145 PolarHBondContact O-N 2.99Å; A142-R145 VanDerWaalsContact O-O 3.13Å; R145-T147 PolarHBondContact O-N 3.47Å; R145-S184 PolarHBondContact NH2-OG 2.79Å; R145-A188 HydrophobicContact CB-CB 4.35Å; R145-A188 HydrophobicContact CG-CB 4.17Å; R145-L487 WeakPolarHBondContact O-CD1 3.34Å
146	P	97.9	Very high	93.8	Very high	68 Å²	68	49.7 Å²	49.7	44%	0.442	28%	0.277	S	S	.	.			trans	-68.4	125.3	169.2	28.5	-32	0	0	0	109.1	L487 Q491	P146-L487 HydrophobicContact CB-CD2 4Å; P146-Q491 HydrophobicContact CB-CB 4.09Å; P146-Q491 HydrophobicContact CB-CG 4.25Å
147	T	98.4	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-119.2	103.5	173.3	-49.9	0	0	0	0	109.3	R145 K187 Q491 N493	R145-T147 PolarHBondContact O-N 3.47Å; T147-K187 HydrophobicContact CG2-CB 3.51Å; T147-K187 HydrophobicContact CG2-CD 4.32Å; T147-Q491 PolarHBondContact N-O 2.71Å; T147-Q491 CarbonylContact O-C 3.5Å; T147-Q491 WeakPolarHBondContact O-CA 3.29Å; T147-N493 VanDerWaalsContact CG2-O 3.26Å; T147-N493 WeakPolarHBondContact CG2-O 3.37Å; T147-N493 WeakPolarHBondContact O-CB 3.37Å; T147-N493 PolarHBondContact O-N 2.87Å; T147-N493 VanDerWaalsContact O-N 3.08Å
148	P	97.6	Very high	97.2	Very high	41 Å²	41	41.9 Å²	41.9	27%	0.266	23%	0.234	S	C	.	.			trans	-71	163.5	-179.9	30.6	-35.8	0	0	0	111.6	T150	P148-T150 WeakPolarHBondContact CB-O 3.49Å; P148-T150 VanDerWaalsContact CG-O 3.24Å; P148-T150 WeakPolarHBondContact CG-O 3.36Å
149	L	96.4	Very high	97.6	Very high	71 Å²	71	41.3 Å²	41.3	37%	0.372	23%	0.232	S	C	.	.	S	Bend	trans	-64.6	-45.6	175.1	177.9	64.2	0	0	0	112.2	G324 K325	L149-G324 VanDerWaalsContact CD2-O 3.29Å; L149-G324 WeakPolarHBondContact CD2-O 3.27Å; L149-K325 HydrophobicContact CD1-CG 3.78Å
150	T	96.7	Very high	97.8	Very high	121 Å²	121	40.5 Å²	40.5	74%	0.742	23%	0.226	S	C	*	.	S	Bend	trans	-101.6	135.1	175.4	51.2	0	0	0	0	109.1	P148	P148-T150 WeakPolarHBondContact CB-O 3.49Å; P148-T150 VanDerWaalsContact CG-O 3.24Å; P148-T150 WeakPolarHBondContact CG-O 3.36Å
151	H	97.4	Very high	97.9	Very high	32 Å²	32	41 Å²	41	15%	0.148	22%	0.224	C	C	.	.			trans	-145.9	173.6	-173.7	66.6	92.2	0	0	0	111	N153 T154 S157 K187	H151-N153 VanDerWaalsContact CE1-C 3.42Å; H151-N153 PolarHBondContact ND1-N 3.26Å; H151-T154 VanDerWaalsContact CE1-CA 3.41Å; H151-T154 WeakPolarHBondContact CE1-CA 3.31Å; H151-T154 PolarHBondContact CE1-N 3.34Å; H151-T154 VanDerWaalsContact CE1-N 3.3Å; H151-S157 PolarHBondContact CE1-OG 3.17Å; H151-K187 VanDerWaalsContact CB-O 3.24Å; H151-K187 WeakPolarHBondContact CB-O 3.42Å
152	H	97.7	Very high	98	Very high	106 Å²	106	40.8 Å²	40.8	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-90.7	-0.9	-166.9	-58.2	-71.1	0	0	0	115.6	L189 P190 S191 P192	H152-L189 PolarHBondContact CD2-O 3.27Å; H152-P190 PolarHBondContact CD2-O 3.03Å; H152-P190 PolarHBondContact NE2-O 3.17Å; H152-S191 VanDerWaalsContact CB-C 3.42Å; H152-P192 HydrophobicContact CB-CB 4.39Å; H152-P192 HydrophobicContact CB-CG 3.9Å
153	N	98.1	Very high	98	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.226	C	C	.	.			trans	-130.8	32.3	-165.4	-66.8	-66.3	0	0	0	112.6	H151 S155 L156 S157 L186 S191 P192 V193	H151-N153 VanDerWaalsContact CE1-C 3.42Å; H151-N153 PolarHBondContact ND1-N 3.26Å; N153-S155 PolarHBondContact O-N 3.27Å; N153-L156 HydrophobicContact CB-CD1 4.49Å; N153-L156 PolarHBondContact O-N 3.09Å; N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 PolarHBondContact O-OG 3.21Å; N153-L186 HydrophobicContact CB-CB 4.05Å; N153-L186 PolarHBondContact ND2-O 3.07Å; N153-S191 PolarHBondContact ND2-O 2.73Å; N153-S191 VanDerWaalsContact ND2-O 3.09Å; N153-P192 WeakPolarHBondContact OD1-CA 3.15Å; N153-V193 PolarHBondContact OD1-N 3.5Å
154	T	97.8	Very high	98	Very high	64 Å²	64	41.2 Å²	41.2	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-53.4	-50.9	-172.5	-51.2	0	0	0	0	113	H151 L156 S157 E158	H151-T154 VanDerWaalsContact CE1-CA 3.41Å; H151-T154 WeakPolarHBondContact CE1-CA 3.31Å; H151-T154 PolarHBondContact CE1-N 3.34Å; H151-T154 VanDerWaalsContact CE1-N 3.3Å; T154-L156 VanDerWaalsContact C-N 3.3Å; T154-L156 PolarHBondContact O-N 3.35Å; T154-S157 PolarHBondContact O-N 2.76Å; T154-S157 PolarHBondContact O-OG 3.38Å; T154-S157 VanDerWaalsContact O-OG 3.08Å; T154-E158 HydrophobicContact CG2-CG 4.14Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.45Å; T154-E158 VanDerWaalsContact O-CB 3.31Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.26Å; T154-E158 WeakPolarHBondContact O-CG 3.32Å; T154-E158 PolarHBondContact O-N 3.42Å
155	S	97.8	Very high	98	Very high	80 Å²	80	40.4 Å²	40.4	56%	0.559	22%	0.224	S	C	*	.	H	α-helix	trans	-59.8	-39.5	-179.8	55.1	0	0	0	0	112.8	N153 A159	N153-S155 PolarHBondContact O-N 3.27Å; S155-A159 WeakPolarHBondContact O-CB 3.28Å; S155-A159 PolarHBondContact O-N 2.79Å
156	L	98.6	Very high	98.1	Very high	5 Å²	5	41 Å²	41	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-72.2	-44.8	179.7	-55	-178.1	0	0	0	111.8	N153 T154 L160 L186 V193 V213 L216	N153-L156 HydrophobicContact CB-CD1 4.49Å; N153-L156 PolarHBondContact O-N 3.09Å; T154-L156 VanDerWaalsContact C-N 3.3Å; T154-L156 PolarHBondContact O-N 3.35Å; L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 3.05Å; L156-L186 HydrophobicContact CB-CD1 3.68Å; L156-V193 HydrophobicContact CD1-CB 3.85Å; L156-V193 HydrophobicContact CD1-CG1 4.44Å; L156-V193 HydrophobicContact CD1-CG2 4.43Å; L156-V213 HydrophobicContact CD1-CG1 3.92Å; L156-V213 HydrophobicContact CD2-CG1 4.12Å; L156-L216 HydrophobicContact CD2-CB 3.61Å; L156-L216 HydrophobicContact CD2-CD1 3.73Å; L156-L216 HydrophobicContact CD2-CG 4.31Å
157	S	98.4	Very high	98.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-42.7	179.2	62.7	0	0	0	0	111.7	H151 N153 T154 A159 L160 E161	H151-S157 PolarHBondContact CE1-OG 3.17Å; N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 PolarHBondContact O-OG 3.21Å; T154-S157 PolarHBondContact O-N 2.76Å; T154-S157 PolarHBondContact O-OG 3.38Å; T154-S157 VanDerWaalsContact O-OG 3.08Å; S157-A159 VanDerWaalsContact C-N 3.3Å; S157-A159 PolarHBondContact O-N 3.22Å; S157-L160 PolarHBondContact O-N 3.18Å; S157-E161 WeakPolarHBondContact O-CB 3.34Å; S157-E161 VanDerWaalsContact O-CG 3.28Å; S157-E161 WeakPolarHBondContact O-CG 3.25Å; S157-E161 PolarHBondContact O-N 3.13Å
158	E	98.5	Very high	98.1	Very high	96 Å²	96	38.4 Å²	38.4	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-35.4	179.5	-75.2	180	169.1	0	0	112.3	T154 E161 T162	T154-E158 HydrophobicContact CG2-CG 4.14Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.45Å; T154-E158 VanDerWaalsContact O-CB 3.31Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.26Å; T154-E158 WeakPolarHBondContact O-CG 3.32Å; T154-E158 PolarHBondContact O-N 3.42Å; E158-E161 PolarHBondContact O-N 3.39Å; E158-T162 WeakPolarHBondContact O-CB 3.2Å; E158-T162 PolarHBondContact O-N 3.48Å; E158-T162 PolarHBondContact O-OG1 3.24Å
159	A	98.7	Very high	98.1	Very high	2 Å²	2	37 Å²	37	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-47.7	173.4	0	0	0	0	0	111.6	S155 S157 E161 T162 L163 V212 L216 V225	S155-A159 WeakPolarHBondContact O-CB 3.28Å; S155-A159 PolarHBondContact O-N 2.79Å; S157-A159 VanDerWaalsContact C-N 3.3Å; S157-A159 PolarHBondContact O-N 3.22Å; A159-E161 VanDerWaalsContact C-N 3.34Å; A159-E161 PolarHBondContact O-N 2.87Å; A159-T162 WeakPolarHBondContact O-CB 2.92Å; A159-T162 PolarHBondContact O-N 2.81Å; A159-L163 PolarHBondContact O-N 2.86Å; A159-L163 VanDerWaalsContact O-N 3.17Å; A159-V212 HydrophobicContact CB-CG1 4.42Å; A159-L216 HydrophobicContact CB-CD1 3.43Å; A159-L216 VanDerWaalsContact CB-CD1 3.43Å; A159-L216 HydrophobicContact CB-CD2 4.5Å; A159-V225 HydrophobicContact CB-CG1 4.42Å; A159-V225 HydrophobicContact CB-CG2 4.05Å
160	L	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-36.8	176	-65.8	174.1	0	0	0	111.8	L156 S157 T162 L163 A164 F179 A182 A183 L186 V212	L156-L160 WeakPolarHBondContact O-CG 3.33Å; L156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 3.18Å; L160-T162 VanDerWaalsContact C-N 3.35Å; L160-L163 PolarHBondContact O-N 3.41Å; L160-A164 WeakPolarHBondContact O-CB 3.28Å; L160-A164 PolarHBondContact O-N 3.16Å; L160-F179 HydrophobicContact CD2-CD1 3.87Å; L160-F179 HydrophobicContact CD2-CE1 4.2Å; L160-F179 WeakPolarHBondContact O-CB 3.44Å; L160-A182 HydrophobicContact CD1-CB 3.91Å; L160-A183 HydrophobicContact CB-CB 4.01Å; L160-L186 HydrophobicContact CD1-CD1 3.65Å; L160-V212 HydrophobicContact CD2-CB 4.16Å; L160-V212 HydrophobicContact CD2-CG1 3.97Å
161	E	98.7	Very high	98	Very high	70 Å²	70	35.7 Å²	35.7	33%	0.327	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-36.8	174.7	-74.6	176.2	156.8	0	0	112.3	S157 E158 A159 L163 A164 E165 A183 K187	S157-E161 WeakPolarHBondContact O-CB 3.34Å; S157-E161 VanDerWaalsContact O-CG 3.28Å; S157-E161 WeakPolarHBondContact O-CG 3.25Å; S157-E161 PolarHBondContact O-N 3.13Å; E158-E161 PolarHBondContact O-N 3.39Å; A159-E161 VanDerWaalsContact C-N 3.34Å; A159-E161 PolarHBondContact O-N 2.87Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.23Å; E161-A164 WeakPolarHBondContact O-CB 3.32Å; E161-A164 PolarHBondContact O-N 2.72Å; E161-E165 WeakPolarHBondContact O-CB 3.5Å; E161-E165 PolarHBondContact O-N 3.4Å; E161-A183 HydrophobicContact CG-CB 3.88Å; E161-K187 WeakPolarHBondContact OE1-CE 3.4Å; E161-K187 IonicContact OE1-NZ 3.79Å; E161-K187 PolarHBondContact OE1-NZ 2.82Å
162	T	98.7	Very high	98	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.08	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-45	172.1	-61.8	0	0	0	0	110.7	E158 A159 L160 A164 E165 A166 V225 V228 R229	E158-T162 WeakPolarHBondContact O-CB 3.2Å; E158-T162 PolarHBondContact O-N 3.48Å; E158-T162 PolarHBondContact O-OG1 3.24Å; A159-T162 WeakPolarHBondContact O-CB 2.92Å; A159-T162 PolarHBondContact O-N 2.81Å; L160-T162 VanDerWaalsContact C-N 3.35Å; T162-A164 VanDerWaalsContact C-N 3.35Å; T162-E165 PolarHBondContact O-N 3.13Å; T162-A166 WeakPolarHBondContact O-CB 3.39Å; T162-A166 PolarHBondContact O-N 3.39Å; T162-V225 HydrophobicContact CG2-CG1 4.05Å; T162-V228 HydrophobicContact CG2-CG1 4.01Å; T162-R229 HydrophobicContact CG2-CG 4.01Å
163	L	98.8	Very high	97.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-33.9	175.9	-61	-179.6	0	0	0	112.4	A159 L160 E161 A167 F179 V212 E224 V225 V228	A159-L163 PolarHBondContact O-N 2.86Å; A159-L163 VanDerWaalsContact O-N 3.17Å; L160-L163 PolarHBondContact O-N 3.41Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.23Å; L163-A167 VanDerWaalsContact O-CB 3.31Å; L163-A167 WeakPolarHBondContact O-CB 3.44Å; L163-A167 PolarHBondContact O-N 3.23Å; L163-F179 HydrophobicContact CB-CD1 4.29Å; L163-F179 HydrophobicContact CB-CD2 3.9Å; L163-F179 HydrophobicContact CB-CE1 4.25Å; L163-F179 HydrophobicContact CB-CE2 3.85Å; L163-F179 HydrophobicContact CB-CG 4.13Å; L163-F179 HydrophobicContact CB-CZ 4.03Å; L163-F179 HydrophobicContact CD1-CE1 3.95Å; L163-F179 HydrophobicContact CD1-CZ 3.99Å; L163-V212 HydrophobicContact CD1-CG1 4.26Å; L163-V212 HydrophobicContact CD1-CG2 3.69Å; L163-E224 HydrophobicContact CD2-CG 3.99Å; L163-V225 HydrophobicContact CD1-CG2 4.1Å; L163-V225 HydrophobicContact CD2-CG2 4.02Å; L163-V225 HydrophobicContact CG-CG2 3.98Å; L163-V228 HydrophobicContact CD2-CG2 4.03Å
164	A	98.6	Very high	97.7	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-45.9	175	0	0	0	0	0	111.7	L160 E161 T162 A167 G168 L176 F179	L160-A164 WeakPolarHBondContact O-CB 3.28Å; L160-A164 PolarHBondContact O-N 3.16Å; E161-A164 WeakPolarHBondContact O-CB 3.32Å; E161-A164 PolarHBondContact O-N 2.72Å; T162-A164 VanDerWaalsContact C-N 3.35Å; A164-A167 PolarHBondContact O-N 3.5Å; A164-G168 PolarHBondContact O-N 3.09Å; A164-L176 WeakPolarHBondContact O-CG 3.31Å; A164-F179 HydrophobicContact CB-CB 3.57Å
165	E	98.4	Very high	97.7	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-48.8	177.2	-177.5	173.2	-147.3	0	0	110.5	E161 T162 A167 G168 F169 Y234 K238	E161-E165 WeakPolarHBondContact O-CB 3.5Å; E161-E165 PolarHBondContact O-N 3.4Å; T162-E165 PolarHBondContact O-N 3.13Å; E165-A167 PolarHBondContact O-N 3.19Å; E165-G168 WeakPolarHBondContact O-CA 3.28Å; E165-G168 PolarHBondContact O-N 3.01Å; E165-F169 HydrophobicContact CG-CD2 4.39Å; E165-F169 HydrophobicContact CG-CE1 4.16Å; E165-F169 HydrophobicContact CG-CE2 3.63Å; E165-F169 HydrophobicContact CG-CZ 3.49Å; E165-F169 VanDerWaalsContact CG-CZ 3.49Å; E165-F169 PolarHBondContact O-N 2.77Å; E165-Y234 HydrophobicContact CB-CE2 4.31Å; E165-Y234 HydrophobicContact CG-CE2 4.07Å; E165-Y234 PolarHBondContact OE2-OH 2.87Å; E165-K238 IonicContact OE1-NZ 3.67Å; E165-K238 IonicContact OE2-NZ 3.29Å; E165-K238 PolarHBondContact OE2-NZ 3.24Å
166	A	98.5	Very high	97.7	Very high	16 Å²	16	38.7 Å²	38.7	13%	0.132	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-43.9	175.8	0	0	0	0	0	112.5	T162 G168 F169 E170 V228 Y234	T162-A166 WeakPolarHBondContact O-CB 3.39Å; T162-A166 PolarHBondContact O-N 3.39Å; A166-G168 PolarHBondContact O-N 3.41Å; A166-F169 PolarHBondContact O-N 3Å; A166-F169 VanDerWaalsContact O-N 3.13Å; A166-E170 WeakPolarHBondContact O-CG 3.44Å; A166-E170 PolarHBondContact O-N 2.66Å; A166-E170 VanDerWaalsContact O-N 3.1Å; A166-V228 HydrophobicContact CB-CG1 3.51Å; A166-V228 HydrophobicContact CB-CG2 4.41Å; A166-Y234 HydrophobicContact CB-CD2 3.82Å; A166-Y234 HydrophobicContact CB-CE2 4.1Å
167	A	98.3	Very high	97.6	Very high	7 Å²	7	39.7 Å²	39.7	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-36.2	174.4	0	0	0	0	0	112.2	L163 A164 E165 E170 G171 S172 R175 L176	L163-A167 VanDerWaalsContact O-CB 3.31Å; L163-A167 WeakPolarHBondContact O-CB 3.44Å; L163-A167 PolarHBondContact O-N 3.23Å; A164-A167 PolarHBondContact O-N 3.5Å; E165-A167 PolarHBondContact O-N 3.19Å; A167-E170 CarbonylContact O-C 3.52Å; A167-E170 PolarHBondContact O-N 3.25Å; A167-G171 PolarHBondContact O-N 3.18Å; A167-S172 WeakPolarHBondContact O-CA 3.41Å; A167-S172 WeakPolarHBondContact O-CB 3.49Å; A167-S172 PolarHBondContact O-N 2.73Å; A167-R175 HydrophobicContact CB-CB 3.78Å; A167-L176 HydrophobicContact CB-CB 4.24Å
168	G	97.9	Very high	97.6	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-43.4	172.9	0	0	0	0	0	113.2	A164 E165 A166 E170 G171	A164-G168 PolarHBondContact O-N 3.09Å; E165-G168 WeakPolarHBondContact O-CA 3.28Å; E165-G168 PolarHBondContact O-N 3.01Å; A166-G168 PolarHBondContact O-N 3.41Å; G168-E170 PolarHBondContact O-N 3.04Å; G168-G171 PolarHBondContact O-N 2.92Å
169	F	98	Very high	97.6	Very high	13 Å²	13	38.4 Å²	38.4	6%	0.057	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-29.1	176.5	-62.1	-25.9	0	0	0	113.3	E165 A166 G171 R233 Y234 M237 K238 T241 V248	E165-F169 HydrophobicContact CG-CD2 4.39Å; E165-F169 HydrophobicContact CG-CE1 4.16Å; E165-F169 HydrophobicContact CG-CE2 3.63Å; E165-F169 HydrophobicContact CG-CZ 3.49Å; E165-F169 VanDerWaalsContact CG-CZ 3.49Å; E165-F169 PolarHBondContact O-N 2.77Å; A166-F169 PolarHBondContact O-N 3Å; A166-F169 VanDerWaalsContact O-N 3.13Å; F169-G171 VanDerWaalsContact C-N 3.28Å; F169-R233 PolarHBondContact O-NH2 3.39Å; F169-Y234 AromaticContact CD2-CD2 3.8Å; F169-Y234 HydrophobicContact CD2-CD2 3.8Å; F169-Y234 HydrophobicContact CD2-CE2 4.24Å; F169-Y234 AromaticContact CE2-CD2 3.79Å; F169-Y234 HydrophobicContact CE2-CD2 3.79Å; F169-Y234 AromaticContact CE2-CE2 3.87Å; F169-Y234 HydrophobicContact CE2-CE2 3.87Å; F169-M237 HydrophobicContact CB-CB 4.03Å; F169-M237 HydrophobicContact CB-CE 3.98Å; F169-M237 HydrophobicContact CB-CG 4.15Å; F169-M237 HydrophobicContact CD1-CB 4.05Å; F169-M237 HydrophobicContact CD1-CE 4.17Å; F169-M237 HydrophobicContact CD2-CB 3.5Å; F169-M237 VanDerWaalsContact CD2-CB 3.5Å; F169-M237 HydrophobicContact CD2-CG 4.44Å; F169-M237 HydrophobicContact CE1-CB 4.39Å; F169-M237 HydrophobicContact CE2-CB 3.87Å; F169-M237 HydrophobicContact CG-CB 3.6Å; F169-M237 HydrophobicContact CG-CE 4.25Å; F169-M237 HydrophobicContact CG-CG 4.28Å; F169-M237 HydrophobicContact CZ-CB 4.31Å; F169-K238 HydrophobicContact CE2-CB 3.99Å; F169-K238 HydrophobicContact CZ-CB 4.13Å; F169-T241 HydrophobicContact CE1-CG2 4Å; F169-T241 WeakPolarHBondContact CE1-OG1 3.41Å; F169-V248 HydrophobicContact CD1-CG2 4.3Å
170	E	96.1	Very high	97.6	Very high	110 Å²	110	39.9 Å²	39.9	51%	0.514	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.3	173.8	-59.2	-50.2	128.2	0	0	113.2	A166 A167 G168 S172 R233	A166-E170 WeakPolarHBondContact O-CG 3.44Å; A166-E170 PolarHBondContact O-N 2.66Å; A166-E170 VanDerWaalsContact O-N 3.1Å; A167-E170 CarbonylContact O-C 3.52Å; A167-E170 PolarHBondContact O-N 3.25Å; G168-E170 PolarHBondContact O-N 3.04Å; E170-S172 PolarHBondContact O-N 2.76Å; E170-R233 WeakPolarHBondContact OE1-CG 3.26Å; E170-R233 IonicContact OE1-CZ 3.75Å; E170-R233 IonicContact OE1-NE 3.64Å; E170-R233 PolarHBondContact OE1-NE 2.96Å; E170-R233 IonicContact OE1-NH2 3.79Å
171	G	94.6	Very high	97.6	Very high	53 Å²	53	41.9 Å²	41.9	55%	0.546	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.6	-179.8	0	0	0	0	0	114.5	A167 G168 F169 E173	A167-G171 PolarHBondContact O-N 3.18Å; G168-G171 PolarHBondContact O-N 2.92Å; F169-G171 VanDerWaalsContact C-N 3.28Å; G171-E173 PolarHBondContact O-N 3.33Å; G171-E173 VanDerWaalsContact O-N 3.1Å
172	S	96.7	Very high	97.6	Very high	47 Å²	47	38.5 Å²	38.5	33%	0.329	22%	0.223	S	C	.	.			trans	-86.2	69.3	-178.4	-67.1	0	0	0	0	111.8	A167 E170 G174 R175 L176	A167-S172 WeakPolarHBondContact O-CA 3.41Å; A167-S172 WeakPolarHBondContact O-CB 3.49Å; A167-S172 PolarHBondContact O-N 2.73Å; E170-S172 PolarHBondContact O-N 2.76Å; S172-G174 VanDerWaalsContact C-N 3.28Å; S172-G174 PolarHBondContact O-N 3.43Å; S172-R175 PolarHBondContact O-N 3.3Å; S172-R175 VanDerWaalsContact O-N 3.08Å; S172-L176 PolarHBondContact O-N 3.45Å
173	E	93.9	Very high	97.6	Very high	109 Å²	109	38 Å²	38	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-54.3	-38.1	-176.4	-74.9	-62.4	138.5	0	0	114.2	G171 L177	G171-E173 PolarHBondContact O-N 3.33Å; G171-E173 VanDerWaalsContact O-N 3.1Å; E173-L177 WeakPolarHBondContact O-CB 3.42Å; E173-L177 PolarHBondContact O-N 3.24Å
174	G	96.2	Very high	97.6	Very high	54 Å²	54	37.6 Å²	37.6	56%	0.557	22%	0.218	S	C	*	.	H	α-helix	trans	-63.3	-45.6	177.3	0	0	0	0	0	112.4	S172 L177 T178	S172-G174 VanDerWaalsContact C-N 3.28Å; S172-G174 PolarHBondContact O-N 3.43Å; G174-L177 PolarHBondContact O-N 2.7Å; G174-T178 PolarHBondContact O-N 2.94Å; G174-T178 PolarHBondContact O-OG1 2.71Å; G174-T178 VanDerWaalsContact O-OG1 3.12Å
175	R	97.2	Very high	97.5	Very high	116 Å²	116	37.5 Å²	37.5	44%	0.438	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-44.7	177.8	-72.3	175.2	58.8	92.1	1.1	111.3	A167 S172 L177 T178 F179	A167-R175 HydrophobicContact CB-CB 3.78Å; S172-R175 PolarHBondContact O-N 3.3Å; S172-R175 VanDerWaalsContact O-N 3.08Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 2.79Å; R175-T178 PolarHBondContact O-N 3.36Å; R175-F179 VanDerWaalsContact O-CD2 3.24Å; R175-F179 WeakPolarHBondContact O-CD2 3.43Å; R175-F179 PolarHBondContact O-N 3.27Å
176	L	97.8	Very high	97.5	Very high	24 Å²	24	34.6 Å²	34.6	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-51.7	-51.4	173.9	174.7	158.2	0	0	0	110.5	A164 A167 S172 T178 F179 C180	A164-L176 WeakPolarHBondContact O-CG 3.31Å; A167-L176 HydrophobicContact CB-CB 4.24Å; S172-L176 PolarHBondContact O-N 3.45Å; L176-T178 PolarHBondContact O-N 3.5Å; L176-F179 PolarHBondContact O-N 3.24Å; L176-C180 WeakPolarHBondContact O-CB 3.37Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 2.9Å
177	L	97.3	Very high	97.5	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-39.7	-176.3	-177.4	56.5	0	0	0	112.4	E173 G174 R175 C180 R181 L439	E173-L177 WeakPolarHBondContact O-CB 3.42Å; E173-L177 PolarHBondContact O-N 3.24Å; G174-L177 PolarHBondContact O-N 2.7Å; R175-L177 VanDerWaalsContact C-N 3.29Å; R175-L177 PolarHBondContact O-N 2.79Å; L177-C180 PolarHBondContact O-N 3.4Å; L177-R181 HydrophobicContact CD1-CG 4.27Å; L177-R181 WeakPolarHBondContact O-CB 3.32Å; L177-R181 VanDerWaalsContact O-CG 3.28Å; L177-R181 WeakPolarHBondContact O-CG 3.27Å; L177-R181 PolarHBondContact O-N 2.84Å; L177-L439 HydrophobicContact CD1-CD1 4Å
178	T	97.6	Very high	97.5	Very high	65 Å²	65	35.5 Å²	35.5	40%	0.399	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-47.6	175.9	-63.3	0	0	0	0	111.4	G174 R175 L176 R181 A182	G174-T178 PolarHBondContact O-N 2.94Å; G174-T178 PolarHBondContact O-OG1 2.71Å; G174-T178 VanDerWaalsContact O-OG1 3.12Å; R175-T178 PolarHBondContact O-N 3.36Å; L176-T178 PolarHBondContact O-N 3.5Å; T178-R181 PolarHBondContact O-N 2.66Å; T178-A182 PolarHBondContact O-N 3.42Å
179	F	98.6	Very high	97.5	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-41.4	177.8	-73.6	-54.7	0	0	0	112.7	L160 L163 A164 R175 L176 R181 A182 A183 H208	L160-F179 HydrophobicContact CD2-CD1 3.87Å; L160-F179 HydrophobicContact CD2-CE1 4.2Å; L160-F179 WeakPolarHBondContact O-CB 3.44Å; L163-F179 HydrophobicContact CB-CD1 4.29Å; L163-F179 HydrophobicContact CB-CD2 3.9Å; L163-F179 HydrophobicContact CB-CE1 4.25Å; L163-F179 HydrophobicContact CB-CE2 3.85Å; L163-F179 HydrophobicContact CB-CG 4.13Å; L163-F179 HydrophobicContact CB-CZ 4.03Å; L163-F179 HydrophobicContact CD1-CE1 3.95Å; L163-F179 HydrophobicContact CD1-CZ 3.99Å; A164-F179 HydrophobicContact CB-CB 3.57Å; R175-F179 VanDerWaalsContact O-CD2 3.24Å; R175-F179 WeakPolarHBondContact O-CD2 3.43Å; R175-F179 PolarHBondContact O-N 3.27Å; L176-F179 PolarHBondContact O-N 3.24Å; F179-R181 VanDerWaalsContact C-N 3.31Å; F179-R181 PolarHBondContact O-N 2.66Å; F179-A182 PolarHBondContact O-N 3.4Å; F179-A183 WeakPolarHBondContact O-CB 3.29Å; F179-A183 PolarHBondContact O-N 2.96Å; F179-H208 AromaticContact CZ-CE1 3.98Å
180	C	98.6	Very high	97.3	Very high	33 Å²	33	38.5 Å²	38.5	22%	0.223	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-43.2	173.1	-72	0	0	0	0	111.8	L176 L177 S184 L439	L176-C180 WeakPolarHBondContact O-CB 3.37Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 2.9Å; L177-C180 PolarHBondContact O-N 3.4Å; C180-S184 WeakPolarHBondContact O-CB 3.18Å; C180-S184 PolarHBondContact O-N 2.8Å; C180-L439 HydrophobicContact CB-CD1 4.28Å; C180-L439 HydrophobicContact CB-CD2 4.22Å; C180-L439 WeakPolarHBondContact O-CD2 3.49Å
181	R	98.6	Very high	97.2	Very high	41 Å²	41	36.2 Å²	36.2	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-47.1	178.1	-76.5	170	172.7	158.8	1.2	111.8	L177 T178 F179 S184 V185 H204 L439 E443 R446	L177-R181 HydrophobicContact CD1-CG 4.27Å; L177-R181 WeakPolarHBondContact O-CB 3.32Å; L177-R181 VanDerWaalsContact O-CG 3.28Å; L177-R181 WeakPolarHBondContact O-CG 3.27Å; L177-R181 PolarHBondContact O-N 2.84Å; T178-R181 PolarHBondContact O-N 2.66Å; F179-R181 VanDerWaalsContact C-N 3.31Å; F179-R181 PolarHBondContact O-N 2.66Å; R181-S184 PolarHBondContact O-N 2.84Å; R181-S184 PolarHBondContact O-OG 3.17Å; R181-V185 WeakPolarHBondContact O-CG2 3.39Å; R181-V185 PolarHBondContact O-N 2.9Å; R181-H204 HydrophobicContact CB-CB 3.82Å; R181-L439 HydrophobicContact CG-CD1 4.29Å; R181-E443 IonicContact CZ-OE1 3.61Å; R181-E443 IonicContact NE-OE1 3.02Å; R181-E443 PolarHBondContact NE-OE1 3.24Å; R181-E443 IonicContact NE-OE2 3.32Å; R181-E443 IonicContact NH2-OE1 3.88Å; R181-E443 PolarHBondContact NH2-OE1 2.83Å; R181-R446 VanDerWaalsContact NH2-CD 3.26Å
182	A	98.4	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-48.1	176.8	0	0	0	0	0	111.4	L160 T178 F179 S184 V185 L186 L205	L160-A182 HydrophobicContact CD1-CB 3.91Å; T178-A182 PolarHBondContact O-N 3.42Å; F179-A182 PolarHBondContact O-N 3.4Å; A182-S184 VanDerWaalsContact C-N 3.34Å; A182-S184 PolarHBondContact O-N 3.4Å; A182-V185 PolarHBondContact O-N 3.42Å; A182-L186 PolarHBondContact O-N 2.88Å; A182-L205 HydrophobicContact CB-CD2 4.18Å; A182-L205 HydrophobicContact CB-CG 4.41Å
183	A	98.8	Very high	97.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-46.3	174.7	0	0	0	0	0	111.8	L160 E161 F179 V185 L186 K187	L160-A183 HydrophobicContact CB-CB 4.01Å; E161-A183 HydrophobicContact CG-CB 3.88Å; F179-A183 WeakPolarHBondContact O-CB 3.29Å; F179-A183 PolarHBondContact O-N 2.96Å; A183-V185 VanDerWaalsContact C-N 3.28Å; A183-V185 PolarHBondContact O-N 3.44Å; A183-L186 WeakPolarHBondContact O-CB 3.44Å; A183-L186 PolarHBondContact O-N 2.87Å; A183-L186 VanDerWaalsContact O-N 3.14Å; A183-K187 WeakPolarHBondContact O-CG 3.31Å; A183-K187 PolarHBondContact O-N 3.33Å
184	S	98.6	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-27.5	-179.8	81	0	0	0	0	114.3	R145 C180 R181 A182 A188 L439 A494	R145-S184 PolarHBondContact NH2-OG 2.79Å; C180-S184 WeakPolarHBondContact O-CB 3.18Å; C180-S184 PolarHBondContact O-N 2.8Å; R181-S184 PolarHBondContact O-N 2.84Å; R181-S184 PolarHBondContact O-OG 3.17Å; A182-S184 VanDerWaalsContact C-N 3.34Å; A182-S184 PolarHBondContact O-N 3.4Å; S184-A188 PolarHBondContact O-N 2.92Å; S184-L439 WeakPolarHBondContact OG-CD2 3.21Å; S184-A494 WeakPolarHBondContact CB-OXT 3.42Å
185	V	98.4	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.5	-45.4	173.3	166.1	0	0	0	0	109.3	M138 R181 A182 A183 K187 A188 L189 L202 P203 L205	M138-V185 HydrophobicContact CG-CG1 4.1Å; R181-V185 WeakPolarHBondContact O-CG2 3.39Å; R181-V185 PolarHBondContact O-N 2.9Å; A182-V185 PolarHBondContact O-N 3.42Å; A183-V185 VanDerWaalsContact C-N 3.28Å; A183-V185 PolarHBondContact O-N 3.44Å; V185-K187 VanDerWaalsContact C-N 3.3Å; V185-K187 PolarHBondContact O-N 2.91Å; V185-A188 PolarHBondContact O-N 3.13Å; V185-A188 VanDerWaalsContact O-N 3.11Å; V185-L189 PolarHBondContact O-N 3.35Å; V185-L202 HydrophobicContact CG1-CB 4.23Å; V185-L202 HydrophobicContact CG1-CD1 4.25Å; V185-P203 HydrophobicContact CG2-CG 4.1Å; V185-L205 HydrophobicContact CG1-CD1 4.02Å
186	L	98.3	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-36.1	176.8	-61.6	-179.6	0	0	0	112.8	N153 L156 L160 A182 A183 A188 L189 V193 L199 L205 V213	N153-L186 HydrophobicContact CB-CB 4.05Å; N153-L186 PolarHBondContact ND2-O 3.07Å; L156-L186 HydrophobicContact CB-CD1 3.68Å; L160-L186 HydrophobicContact CD1-CD1 3.65Å; A182-L186 PolarHBondContact O-N 2.88Å; A183-L186 WeakPolarHBondContact O-CB 3.44Å; A183-L186 PolarHBondContact O-N 2.87Å; A183-L186 VanDerWaalsContact O-N 3.14Å; L186-A188 VanDerWaalsContact C-N 3.26Å; L186-A188 PolarHBondContact O-N 2.81Å; L186-L189 HydrophobicContact CD2-CD1 3.88Å; L186-L189 PolarHBondContact O-N 2.86Å; L186-V193 HydrophobicContact CD2-CG2 4.18Å; L186-L199 HydrophobicContact CD2-CD2 4.08Å; L186-L205 HydrophobicContact CD2-CD1 4.15Å; L186-L205 HydrophobicContact CD2-CD2 4.47Å; L186-V213 HydrophobicContact CD1-CG2 4.16Å
187	K	98.5	Very high	96.7	Very high	27 Å²	27	35.3 Å²	35.3	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-30.4	174.3	-66.6	-179.8	-172.9	171.9	0	113.6	T147 H151 E161 A183 V185 A494	T147-K187 HydrophobicContact CG2-CB 3.51Å; T147-K187 HydrophobicContact CG2-CD 4.32Å; H151-K187 VanDerWaalsContact CB-O 3.24Å; H151-K187 WeakPolarHBondContact CB-O 3.42Å; E161-K187 WeakPolarHBondContact OE1-CE 3.4Å; E161-K187 IonicContact OE1-NZ 3.79Å; E161-K187 PolarHBondContact OE1-NZ 2.82Å; A183-K187 WeakPolarHBondContact O-CG 3.31Å; A183-K187 PolarHBondContact O-N 3.33Å; V185-K187 VanDerWaalsContact C-N 3.3Å; V185-K187 PolarHBondContact O-N 2.91Å; K187-A494 PolarHBondContact NZ-OXT 2.99Å
188	A	98	Very high	96.4	Very high	15 Å²	15	37 Å²	37	12%	0.124	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.1	-178.6	0	0	0	0	0	113.5	M138 R145 S184 V185 L186	M138-A188 HydrophobicContact CE-CB 4.21Å; M138-A188 HydrophobicContact SD-CB 4.47Å; R145-A188 HydrophobicContact CB-CB 4.35Å; R145-A188 HydrophobicContact CG-CB 4.17Å; S184-A188 PolarHBondContact O-N 2.92Å; V185-A188 PolarHBondContact O-N 3.13Å; V185-A188 VanDerWaalsContact O-N 3.11Å; L186-A188 VanDerWaalsContact C-N 3.26Å; L186-A188 PolarHBondContact O-N 2.81Å
189	L	96.6	Very high	96.2	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.099	21%	0.205	C	C	.	.			trans	-70.2	138.8	177.2	-70.7	174.7	0	0	0	110.8	M138 H152 V185 L186 S191 V193 L202	M138-L189 HydrophobicContact CE-CD2 3.81Å; H152-L189 PolarHBondContact CD2-O 3.27Å; V185-L189 PolarHBondContact O-N 3.35Å; L186-L189 HydrophobicContact CD2-CD1 3.88Å; L186-L189 PolarHBondContact O-N 2.86Å; L189-S191 PolarHBondContact O-N 3.23Å; L189-V193 HydrophobicContact CD1-CG2 3.49Å; L189-V193 VanDerWaalsContact CD1-CG2 3.49Å; L189-L202 HydrophobicContact CD1-CD1 4.01Å; L189-L202 HydrophobicContact CD2-CD1 4.08Å; L189-L202 HydrophobicContact CD2-CD2 4.23Å
190	P	94.8	Very high	95.7	Very high	63 Å²	63	41.8 Å²	41.8	41%	0.409	24%	0.24	S	C	.	.	S	Bend	trans	-77.9	-2.8	-176.5	33.3	-37.6	0	0	0	113.8	P132 H152	P132-P190 HydrophobicContact CB-CG 4.3Å; H152-P190 PolarHBondContact CD2-O 3.03Å; H152-P190 PolarHBondContact NE2-O 3.17Å
191	S	94.6	Very high	95.2	Very high	63 Å²	63	43.4 Å²	43.4	44%	0.441	26%	0.263	S	S	.	.	S	Bend	trans	-150.8	161.8	-178.4	63	0	0	0	0	111.1	H152 N153 L189	H152-S191 VanDerWaalsContact CB-C 3.42Å; N153-S191 PolarHBondContact ND2-O 2.73Å; N153-S191 VanDerWaalsContact ND2-O 3.09Å; L189-S191 PolarHBondContact O-N 3.23Å
192	P	97	Very high	95	Very high	67 Å²	67	42 Å²	42	44%	0.435	26%	0.258	S	S	.	.			trans	-61.3	142.2	172.1	-18.3	29.4	0	0	0	110.9	H152 N153	H152-P192 HydrophobicContact CB-CB 4.39Å; H152-P192 HydrophobicContact CB-CG 3.9Å; N153-P192 WeakPolarHBondContact OD1-CA 3.15Å
193	V	96.4	Very high	94.9	Very high	11 Å²	11	43 Å²	43	7%	0.067	27%	0.265	C	S	.	.			trans	-79.2	125.7	165.7	178.7	0	0	0	0	107.9	N153 L156 L186 L189 Q198 L199 V213 L217	N153-V193 PolarHBondContact OD1-N 3.5Å; L156-V193 HydrophobicContact CD1-CB 3.85Å; L156-V193 HydrophobicContact CD1-CG1 4.44Å; L156-V193 HydrophobicContact CD1-CG2 4.43Å; L186-V193 HydrophobicContact CD2-CG2 4.18Å; L189-V193 HydrophobicContact CD1-CG2 3.49Å; L189-V193 VanDerWaalsContact CD1-CG2 3.49Å; V193-Q198 VanDerWaalsContact CA-OE1 3.31Å; V193-Q198 HydrophobicContact CG1-CB 4.39Å; V193-L199 HydrophobicContact CG1-CD2 3.83Å; V193-L199 HydrophobicContact CG1-CG 4.43Å; V193-L199 HydrophobicContact CG2-CD2 4.05Å; V193-V213 HydrophobicContact CG1-CG1 4.45Å; V193-L217 HydrophobicContact CG1-CD1 4.13Å; V193-L217 VanDerWaalsContact O-CD2 3.3Å; V193-L217 WeakPolarHBondContact O-CD2 3.4Å
194	T	94.8	Very high	94.7	Very high	92 Å²	92	45.3 Å²	45.3	56%	0.564	28%	0.275	S	S	*	.			trans	-120.1	-20	-179.6	57.5	0	0	0	0	112.5	Q198	T194-Q198 PolarHBondContact OG1-NE2 3.29Å
195	T	93.2	Very high	94.5	Very high	62 Å²	62	46.2 Å²	46.2	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-138.3	148.1	179.7	64.8	0	0	0	0	111.2	S197 Q198	T195-S197 PolarHBondContact O-N 3.19Å; T195-S197 PolarHBondContact OG1-OG 3.02Å; T195-Q198 VanDerWaalsContact N-OE1 3.14Å; T195-Q198 WeakPolarHBondContact O-CB 3.38Å; T195-Q198 PolarHBondContact O-N 3.25Å; T195-Q198 VanDerWaalsContact O-N 3.13Å; T195-Q198 PolarHBondContact O-OE1 2.84Å
196	L	91.9	Very high	94.2	Very high	69 Å²	69	48.2 Å²	48.2	36%	0.361	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31	-178.3	-168.2	65.2	0	0	0	113.1	Q198 L199 Q214	L196-Q198 PolarHBondContact O-N 3.33Å; L196-Q198 VanDerWaalsContact O-N 3.15Å; L196-L199 HydrophobicContact CD1-CD1 3.66Å; L196-L199 HydrophobicContact CD1-CG 4.35Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-Q214 HydrophobicContact CD1-CB 4.05Å; L196-Q214 HydrophobicContact CD2-CB 4.37Å; L196-Q214 HydrophobicContact CD2-CG 4.31Å
197	S	90.9	Very high	94	Very high	83 Å²	83	56.3 Å²	56.3	58%	0.58	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-57.7	-26.8	176.7	54.2	0	0	0	0	113.6	T195 L199 Q200	T195-S197 PolarHBondContact O-N 3.19Å; T195-S197 PolarHBondContact OG1-OG 3.02Å; S197-L199 PolarHBondContact O-N 2.87Å; S197-Q200 VanDerWaalsContact O-CB 3.31Å; S197-Q200 WeakPolarHBondContact O-CB 3.48Å; S197-Q200 PolarHBondContact O-N 2.99Å
198	Q	92.8	Very high	94	Very high	60 Å²	60	57.3 Å²	57.3	28%	0.28	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-70.6	-16.6	177.4	-67.2	164.4	-21.1	0	0	112.9	V193 T194 T195 L196 Q200	V193-Q198 VanDerWaalsContact CA-OE1 3.31Å; V193-Q198 HydrophobicContact CG1-CB 4.39Å; T194-Q198 PolarHBondContact OG1-NE2 3.29Å; T195-Q198 VanDerWaalsContact N-OE1 3.14Å; T195-Q198 WeakPolarHBondContact O-CB 3.38Å; T195-Q198 PolarHBondContact O-N 3.25Å; T195-Q198 VanDerWaalsContact O-N 3.13Å; T195-Q198 PolarHBondContact O-OE1 2.84Å; L196-Q198 PolarHBondContact O-N 3.33Å; L196-Q198 VanDerWaalsContact O-N 3.15Å; Q198-Q200 VanDerWaalsContact C-N 3.32Å
199	L	92.2	Very high	93.9	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-81.4	-15.4	175.1	-53.9	-171.7	0	0	0	112.6	L186 V193 L196 S197 G201 L202 L205 V213	L186-L199 HydrophobicContact CD2-CD2 4.08Å; V193-L199 HydrophobicContact CG1-CD2 3.83Å; V193-L199 HydrophobicContact CG1-CG 4.43Å; V193-L199 HydrophobicContact CG2-CD2 4.05Å; L196-L199 HydrophobicContact CD1-CD1 3.66Å; L196-L199 HydrophobicContact CD1-CG 4.35Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 3.29Å; S197-L199 PolarHBondContact O-N 2.87Å; L199-G201 PolarHBondContact O-N 3.24Å; L199-L202 HydrophobicContact CD2-CD1 4.2Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 2.95Å; L199-L205 HydrophobicContact CD1-CD2 4.46Å; L199-L205 HydrophobicContact CD2-CD1 4.21Å; L199-V213 HydrophobicContact CD1-CB 3.84Å; L199-V213 HydrophobicContact CD1-CG1 3.71Å; L199-V213 HydrophobicContact CD1-CG2 4.21Å
200	Q	88.9	Confident	94	Very high	164 Å²	164	57 Å²	57	77%	0.766	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	125.5	-176.1	-171	177.3	-4.6	0	0	110.6	S197 Q198 L202	S197-Q200 VanDerWaalsContact O-CB 3.31Å; S197-Q200 WeakPolarHBondContact O-CB 3.48Å; S197-Q200 PolarHBondContact O-N 2.99Å; Q198-Q200 VanDerWaalsContact C-N 3.32Å; Q200-L202 VanDerWaalsContact C-N 3.3Å; Q200-L202 PolarHBondContact O-N 2.92Å
201	G	87.9	Confident	94.1	Very high	67 Å²	67	58.6 Å²	58.6	69%	0.691	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-6	-178.5	0	0	0	0	0	114.8	L199	L199-G201 PolarHBondContact O-N 3.24Å
202	L	94.3	Very high	94.3	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.058	32%	0.319	C	S	.	.			trans	-73.7	135.7	174	-63	-175	0	0	0	111.1	M138 V185 L189 L199 Q200 L205	M138-L202 HydrophobicContact CB-CD2 3.74Å; M138-L202 HydrophobicContact CG-CD2 4.4Å; V185-L202 HydrophobicContact CG1-CB 4.23Å; V185-L202 HydrophobicContact CG1-CD1 4.25Å; L189-L202 HydrophobicContact CD1-CD1 4.01Å; L189-L202 HydrophobicContact CD2-CD1 4.08Å; L189-L202 HydrophobicContact CD2-CD2 4.23Å; L199-L202 HydrophobicContact CD2-CD1 4.2Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 2.95Å; Q200-L202 VanDerWaalsContact C-N 3.3Å; Q200-L202 PolarHBondContact O-N 2.92Å; L202-L205 HydrophobicContact CB-CD1 3.5Å; L202-L205 HydrophobicContact CD1-CD1 3.66Å; L202-L205 HydrophobicContact CG-CD1 4.24Å
203	P	95.3	Very high	94.3	Very high	22 Å²	22	52.4 Å²	52.4	14%	0.143	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	151.3	-179.1	29.4	-34.8	0	0	0	111.4	M138 T140 V185 L205	M138-P203 HydrophobicContact CB-CG 4.43Å; M138-P203 HydrophobicContact CG-CG 4.07Å; T140-P203 HydrophobicContact CG2-CB 4.33Å; V185-P203 HydrophobicContact CG2-CG 4.1Å; P203-L205 PolarHBondContact O-N 3.27Å
204	H	95.7	Very high	94.3	Very high	49 Å²	49	55.1 Å²	55.1	23%	0.227	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	-2.3	176	-44.1	-66	0	0	0	116.3	T140 R181 G206	T140-H204 VanDerWaalsContact CG2-CE1 3.41Å; T140-H204 WeakPolarHBondContact CG2-CE1 3.32Å; T140-H204 VanDerWaalsContact CG2-NE2 3.29Å; T140-H204 WeakPolarHBondContact CG2-NE2 3.32Å; T140-H204 PolarHBondContact O-NE2 3.29Å; R181-H204 HydrophobicContact CB-CB 3.82Å; H204-G206 PolarHBondContact O-N 2.81Å
205	L	94.4	Very high	94.5	Very high	20 Å²	20	52.7 Å²	52.7	11%	0.105	29%	0.293	C	S	.	.			trans	-90.7	76.3	173.3	-76.6	153.4	0	0	0	109.7	A182 V185 L186 L199 L202 P203 S210	A182-L205 HydrophobicContact CB-CD2 4.18Å; A182-L205 HydrophobicContact CB-CG 4.41Å; V185-L205 HydrophobicContact CG1-CD1 4.02Å; L186-L205 HydrophobicContact CD2-CD1 4.15Å; L186-L205 HydrophobicContact CD2-CD2 4.47Å; L199-L205 HydrophobicContact CD1-CD2 4.46Å; L199-L205 HydrophobicContact CD2-CD1 4.21Å; L202-L205 HydrophobicContact CB-CD1 3.5Å; L202-L205 HydrophobicContact CD1-CD1 3.66Å; L202-L205 HydrophobicContact CG-CD1 4.24Å; P203-L205 PolarHBondContact O-N 3.27Å; L205-S210 PolarHBondContact O-OG 2.99Å
206	G	91.9	Very high	94.7	Very high	42 Å²	42	51 Å²	51	43%	0.433	28%	0.281	S	S	.	.			trans	-74.7	-175.6	173.8	0	0	0	0	0	112.9	H204 H208 S209 S210	H204-G206 PolarHBondContact O-N 2.81Å; G206-H208 VanDerWaalsContact C-N 3.33Å; G206-H208 PolarHBondContact O-N 3.29Å; G206-S209 PolarHBondContact O-N 3.44Å; G206-S210 VanDerWaalsContact O-CB 3.3Å; G206-S210 WeakPolarHBondContact O-CB 3.46Å; G206-S210 PolarHBondContact O-N 3.31Å; G206-S210 PolarHBondContact O-OG 2.75Å
207	E	94.4	Very high	94.9	Very high	169 Å²	169	50.6 Å²	50.6	79%	0.79	28%	0.279	S	S	*	.	H	α-helix	trans	-53	-46.3	-179.2	-172	-170.9	164.8	0	0	112.7	S210 R211	E207-S210 PolarHBondContact O-N 2.86Å; E207-R211 WeakPolarHBondContact O-CB 3.35Å; E207-R211 PolarHBondContact O-N 2.59Å
208	H	97.1	Very high	95.1	Very high	48 Å²	48	52.7 Å²	52.7	22%	0.222	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-53.1	-179.3	-165.8	159.7	0	0	0	111.6	F179 G206 S210 R211 V212 E224	F179-H208 AromaticContact CZ-CE1 3.98Å; G206-H208 VanDerWaalsContact C-N 3.33Å; G206-H208 PolarHBondContact O-N 3.29Å; H208-S210 VanDerWaalsContact C-N 3.26Å; H208-S210 PolarHBondContact O-N 2.79Å; H208-R211 PolarHBondContact CD2-NH2 3.37Å; H208-R211 PolarHBondContact NE2-NH2 3.18Å; H208-R211 PolarHBondContact O-N 3.44Å; H208-V212 WeakPolarHBondContact O-CG2 3.32Å; H208-V212 PolarHBondContact O-N 2.91Å; H208-V212 VanDerWaalsContact O-N 3.09Å; H208-E224 IonicContact CD2-OE2 3.13Å; H208-E224 IonicContact CE1-OE1 3.17Å; H208-E224 PolarHBondContact CE1-OE1 2.77Å; H208-E224 VanDerWaalsContact CE1-OE1 3.29Å; H208-E224 IonicContact CE1-OE2 3.5Å; H208-E224 VanDerWaalsContact NE2-CD 3.26Å; H208-E224 IonicContact NE2-OE1 3.54Å; H208-E224 PolarHBondContact NE2-OE1 3.32Å; H208-E224 IonicContact NE2-OE2 3.13Å; H208-E224 PolarHBondContact NE2-OE2 3.48Å
209	S	97.6	Very high	95.2	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-36.7	179	-56.7	0	0	0	0	112	G206 V212 V213	G206-S209 PolarHBondContact O-N 3.44Å; S209-V212 PolarHBondContact O-N 3.43Å; S209-V213 WeakPolarHBondContact O-CG2 3.13Å; S209-V213 PolarHBondContact O-N 2.91Å
210	S	96.9	Very high	95.3	Very high	25 Å²	25	57 Å²	57	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-41.9	176.6	-60.1	0	0	0	0	112	L205 G206 E207 H208 V212 V213 Q214	L205-S210 PolarHBondContact O-OG 2.99Å; G206-S210 VanDerWaalsContact O-CB 3.3Å; G206-S210 WeakPolarHBondContact O-CB 3.46Å; G206-S210 PolarHBondContact O-N 3.31Å; G206-S210 PolarHBondContact O-OG 2.75Å; E207-S210 PolarHBondContact O-N 2.86Å; H208-S210 VanDerWaalsContact C-N 3.26Å; H208-S210 PolarHBondContact O-N 2.79Å; S210-V212 PolarHBondContact O-N 2.74Å; S210-V213 PolarHBondContact O-N 2.86Å; S210-Q214 WeakPolarHBondContact O-CB 3.27Å; S210-Q214 PolarHBondContact O-N 2.8Å
211	R	97.8	Very high	95.6	Very high	96 Å²	96	52.8 Å²	52.8	36%	0.362	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-42.8	173.8	-176.2	-176	67.8	-130.4	1.2	112.1	E207 H208 Q214 E215 E224	E207-R211 WeakPolarHBondContact O-CB 3.35Å; E207-R211 PolarHBondContact O-N 2.59Å; H208-R211 PolarHBondContact CD2-NH2 3.37Å; H208-R211 PolarHBondContact NE2-NH2 3.18Å; H208-R211 PolarHBondContact O-N 3.44Å; R211-Q214 WeakPolarHBondContact O-CB 3.42Å; R211-Q214 PolarHBondContact O-N 3.42Å; R211-E215 PolarHBondContact O-N 2.89Å; R211-E224 IonicContact NH2-OE2 3.69Å; R211-E224 PolarHBondContact NH2-OE2 2.92Å
212	V	98.2	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-45.8	177.4	172.7	0	0	0	0	110.7	A159 L160 L163 H208 S209 S210 L216 C222 V225	A159-V212 HydrophobicContact CB-CG1 4.42Å; L160-V212 HydrophobicContact CD2-CB 4.16Å; L160-V212 HydrophobicContact CD2-CG1 3.97Å; L163-V212 HydrophobicContact CD1-CG1 4.26Å; L163-V212 HydrophobicContact CD1-CG2 3.69Å; H208-V212 WeakPolarHBondContact O-CG2 3.32Å; H208-V212 PolarHBondContact O-N 2.91Å; H208-V212 VanDerWaalsContact O-N 3.09Å; S209-V212 PolarHBondContact O-N 3.43Å; S210-V212 PolarHBondContact O-N 2.74Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 WeakPolarHBondContact O-CD1 3.24Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.47Å; V212-C222 HydrophobicContact CG1-CB 4.32Å; V212-V225 HydrophobicContact CG1-CG2 4.26Å
213	V	97.9	Very high	96.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-43.2	176.3	173.6	0	0	0	0	110.9	L156 L186 V193 L199 S209 S210 E215 L216 L217	L156-V213 HydrophobicContact CD1-CG1 3.92Å; L156-V213 HydrophobicContact CD2-CG1 4.12Å; L186-V213 HydrophobicContact CD1-CG2 4.16Å; V193-V213 HydrophobicContact CG1-CG1 4.45Å; L199-V213 HydrophobicContact CD1-CB 3.84Å; L199-V213 HydrophobicContact CD1-CG1 3.71Å; L199-V213 HydrophobicContact CD1-CG2 4.21Å; S209-V213 WeakPolarHBondContact O-CG2 3.13Å; S209-V213 PolarHBondContact O-N 2.91Å; S210-V213 PolarHBondContact O-N 2.86Å; V213-E215 PolarHBondContact O-N 3.19Å; V213-L216 PolarHBondContact O-N 3.04Å; V213-L217 HydrophobicContact CG1-CD1 3.85Å; V213-L217 HydrophobicContact CG1-CG 4.14Å; V213-L217 VanDerWaalsContact O-CG 3.29Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 2.84Å
214	Q	97	Very high	96.4	Very high	69 Å²	69	56.7 Å²	56.7	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-50.8	177.7	-175	176.7	8.2	0	0	112	L196 S210 R211 L216 L217 E218	L196-Q214 HydrophobicContact CD1-CB 4.05Å; L196-Q214 HydrophobicContact CD2-CB 4.37Å; L196-Q214 HydrophobicContact CD2-CG 4.31Å; S210-Q214 WeakPolarHBondContact O-CB 3.27Å; S210-Q214 PolarHBondContact O-N 2.8Å; R211-Q214 WeakPolarHBondContact O-CB 3.42Å; R211-Q214 PolarHBondContact O-N 3.42Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 2.96Å; Q214-L217 PolarHBondContact O-N 2.87Å; Q214-L217 VanDerWaalsContact O-N 3.14Å; Q214-E218 HydrophobicContact CG-CG 4.35Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.19Å; Q214-E218 PolarHBondContact NE2-OE1 3.46Å; Q214-E218 WeakPolarHBondContact O-CB 3.45Å; Q214-E218 WeakPolarHBondContact O-CG 3.36Å; Q214-E218 PolarHBondContact O-N 3.49Å
215	E	97.6	Very high	96.6	Very high	41 Å²	41	54.5 Å²	54.5	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-40.8	177.9	-75.1	-177.5	-152.6	0	0	111.7	R211 V213 E218 L219 C222 K223	R211-E215 PolarHBondContact O-N 2.89Å; V213-E215 PolarHBondContact O-N 3.19Å; E215-E218 PolarHBondContact O-N 3Å; E215-L219 WeakPolarHBondContact O-CA 3.48Å; E215-L219 VanDerWaalsContact O-CB 3.29Å; E215-L219 WeakPolarHBondContact O-CB 3.45Å; E215-L219 PolarHBondContact O-N 3.37Å; E215-C222 HydrophobicContact CB-CB 4.2Å; E215-C222 WeakPolarHBondContact OE2-CA 3.46Å; E215-C222 PolarHBondContact OE2-SG 2.85Å; E215-K223 PolarHBondContact OE2-N 3.36Å
216	L	97.7	Very high	96.7	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-37.7	177.5	-70.3	164.3	0	0	0	112.7	L156 A159 V212 V213 Q214 G220 C222	L156-L216 HydrophobicContact CD2-CB 3.61Å; L156-L216 HydrophobicContact CD2-CD1 3.73Å; L156-L216 HydrophobicContact CD2-CG 4.31Å; A159-L216 HydrophobicContact CB-CD1 3.43Å; A159-L216 VanDerWaalsContact CB-CD1 3.43Å; A159-L216 HydrophobicContact CB-CD2 4.5Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 WeakPolarHBondContact O-CD1 3.24Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.47Å; V213-L216 PolarHBondContact O-N 3.04Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 2.96Å; L216-G220 WeakPolarHBondContact O-CA 3.47Å; L216-G220 PolarHBondContact O-N 3Å; L216-C222 HydrophobicContact CD2-CB 4.12Å; L216-C222 HydrophobicContact CG-CB 4.04Å
217	L	95.6	Very high	97.1	Very high	60 Å²	60	63 Å²	63	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.3	-67.4	175.2	0	0	0	111.9	V193 V213 Q214	V193-L217 HydrophobicContact CG1-CD1 4.13Å; V193-L217 VanDerWaalsContact O-CD2 3.3Å; V193-L217 WeakPolarHBondContact O-CD2 3.4Å; V213-L217 HydrophobicContact CG1-CD1 3.85Å; V213-L217 HydrophobicContact CG1-CG 4.14Å; V213-L217 VanDerWaalsContact O-CG 3.29Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 2.84Å; Q214-L217 PolarHBondContact O-N 2.87Å; Q214-L217 VanDerWaalsContact O-N 3.14Å
218	E	95.9	Very high	97.3	Very high	128 Å²	128	55.9 Å²	55.9	60%	0.598	28%	0.277	S	S	*	.	H	α-helix	trans	-82.2	-39.6	-175.8	-70.2	174.9	-174.2	0	0	113	Q214 E215	Q214-E218 HydrophobicContact CG-CG 4.35Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.19Å; Q214-E218 PolarHBondContact NE2-OE1 3.46Å; Q214-E218 WeakPolarHBondContact O-CB 3.45Å; Q214-E218 WeakPolarHBondContact O-CG 3.36Å; Q214-E218 PolarHBondContact O-N 3.49Å; E215-E218 PolarHBondContact O-N 3Å
219	L	95.1	Very high	97.3	Very high	101 Å²	101	58.1 Å²	58.1	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-115.1	-10.5	-169.3	-52.4	177.7	0	0	0	113.3	E215 V221	E215-L219 WeakPolarHBondContact O-CA 3.48Å; E215-L219 VanDerWaalsContact O-CB 3.29Å; E215-L219 WeakPolarHBondContact O-CB 3.45Å; E215-L219 PolarHBondContact O-N 3.37Å; L219-V221 HydrophobicContact CB-CG2 4.33Å; L219-V221 PolarHBondContact O-N 2.86Å; L219-V221 VanDerWaalsContact O-N 3.17Å
220	G	94.4	Very high	97.3	Very high	56 Å²	56	62.4 Å²	62.4	58%	0.577	31%	0.312	S	S	*	.	S	Bend	trans	73.6	-7.5	-172.2	0	0	0	0	0	114.4	L216	L216-G220 WeakPolarHBondContact O-CA 3.47Å; L216-G220 PolarHBondContact O-N 3Å
221	V	95.4	Very high	97.4	Very high	75 Å²	75	63.1 Å²	63.1	46%	0.455	32%	0.317	S	S	.	.	S	Bend	trans	-142.3	147.6	-178.8	-68.2	0	0	0	0	110.4	L219	L219-V221 HydrophobicContact CB-CG2 4.33Å; L219-V221 PolarHBondContact O-N 2.86Å; L219-V221 VanDerWaalsContact O-N 3.17Å
222	C	98.2	Very high	97.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.007	32%	0.324	C	S	.	.			trans	-108.7	124.3	170.4	174.6	0	0	0	0	109.7	V212 E215 L216 E224 V225 E226	V212-C222 HydrophobicContact CG1-CB 4.32Å; E215-C222 HydrophobicContact CB-CB 4.2Å; E215-C222 WeakPolarHBondContact OE2-CA 3.46Å; E215-C222 PolarHBondContact OE2-SG 2.85Å; L216-C222 HydrophobicContact CD2-CB 4.12Å; L216-C222 HydrophobicContact CG-CB 4.04Å; C222-E224 VanDerWaalsContact C-N 3.26Å; C222-E224 PolarHBondContact O-N 3.28Å; C222-V225 HydrophobicContact CB-CB 4.1Å; C222-V225 HydrophobicContact CB-CG2 3.79Å; C222-V225 PolarHBondContact O-N 3.25Å; C222-V225 VanDerWaalsContact O-N 3.13Å; C222-E226 PolarHBondContact O-N 2.54Å
223	K	97.8	Very high	97.4	Very high	155 Å²	155	65.4 Å²	65.4	67%	0.674	33%	0.331	S	S	*	.	H	α-helix	trans	-61.7	-36.3	-175	-69	178	-178.7	173.4	0	112.2	E215 R227	E215-K223 PolarHBondContact OE2-N 3.36Å; K223-R227 WeakPolarHBondContact O-CB 3.21Å; K223-R227 PolarHBondContact O-N 3.3Å
224	E	98.3	Very high	97.5	Very high	27 Å²	27	66.1 Å²	66.1	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-44	177.1	-177.9	177	176.2	0	0	111.7	L163 H208 R211 C222 R227 V228	L163-E224 HydrophobicContact CD2-CG 3.99Å; H208-E224 IonicContact CD2-OE2 3.13Å; H208-E224 IonicContact CE1-OE1 3.17Å; H208-E224 PolarHBondContact CE1-OE1 2.77Å; H208-E224 VanDerWaalsContact CE1-OE1 3.29Å; H208-E224 IonicContact CE1-OE2 3.5Å; H208-E224 VanDerWaalsContact NE2-CD 3.26Å; H208-E224 IonicContact NE2-OE1 3.54Å; H208-E224 PolarHBondContact NE2-OE1 3.32Å; H208-E224 IonicContact NE2-OE2 3.13Å; H208-E224 PolarHBondContact NE2-OE2 3.48Å; R211-E224 IonicContact NH2-OE2 3.69Å; R211-E224 PolarHBondContact NH2-OE2 2.92Å; C222-E224 VanDerWaalsContact C-N 3.26Å; C222-E224 PolarHBondContact O-N 3.28Å; E224-R227 PolarHBondContact O-N 3.22Å; E224-V228 WeakPolarHBondContact O-CG2 3.17Å; E224-V228 PolarHBondContact O-N 2.99Å
225	V	98.5	Very high	97.5	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-45.4	-179.8	176.3	0	0	0	0	110.5	A159 T162 L163 V212 C222 V228 R229	A159-V225 HydrophobicContact CB-CG1 4.42Å; A159-V225 HydrophobicContact CB-CG2 4.05Å; T162-V225 HydrophobicContact CG2-CG1 4.05Å; L163-V225 HydrophobicContact CD1-CG2 4.1Å; L163-V225 HydrophobicContact CD2-CG2 4.02Å; L163-V225 HydrophobicContact CG-CG2 3.98Å; V212-V225 HydrophobicContact CG1-CG2 4.26Å; C222-V225 HydrophobicContact CB-CB 4.1Å; C222-V225 HydrophobicContact CB-CG2 3.79Å; C222-V225 PolarHBondContact O-N 3.25Å; C222-V225 VanDerWaalsContact O-N 3.13Å; V225-V228 WeakPolarHBondContact O-CB 3.45Å; V225-V228 PolarHBondContact O-N 2.8Å; V225-R229 WeakPolarHBondContact O-CG 3.49Å; V225-R229 PolarHBondContact O-N 2.82Å
226	E	98.4	Very high	97.6	Very high	69 Å²	69	66.3 Å²	66.3	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-41.1	177.6	-66.9	-52.3	119.5	0	0	111.8	C222 V228 R229 C230	C222-E226 PolarHBondContact O-N 2.54Å; E226-V228 VanDerWaalsContact C-N 3.29Å; E226-V228 PolarHBondContact O-N 3.47Å; E226-R229 PolarHBondContact O-N 2.61Å; E226-R229 WeakPolarHBondContact OE1-CD 3.24Å; E226-R229 IonicContact OE1-CZ 3.65Å; E226-R229 IonicContact OE1-NE 3.93Å; E226-R229 IonicContact OE1-NH1 3.67Å; E226-R229 PolarHBondContact OE1-NH1 2.87Å; E226-C230 WeakPolarHBondContact O-CB 3.2Å; E226-C230 PolarHBondContact O-N 3.02Å; E226-C230 PolarHBondContact O-SG 3.11Å; E226-C230 VanDerWaalsContact O-SG 3.41Å
227	R	98.5	Very high	97.6	Very high	171 Å²	171	65 Å²	65	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-59.1	-41	173.6	-175.4	-175.4	64.6	-155	-3.4	111.9	K223 E224 S231	K223-R227 WeakPolarHBondContact O-CB 3.21Å; K223-R227 PolarHBondContact O-N 3.3Å; E224-R227 PolarHBondContact O-N 3.22Å; R227-S231 WeakPolarHBondContact O-CB 3.33Å; R227-S231 PolarHBondContact O-N 2.91Å; R227-S231 VanDerWaalsContact O-N 3.12Å
228	V	98.4	Very high	97.8	Very high	20 Å²	20	65.2 Å²	65.2	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-50.3	175.5	165.4	0	0	0	0	110.5	T162 L163 A166 E224 V225 E226 C230 S231 Y234	T162-V228 HydrophobicContact CG2-CG1 4.01Å; L163-V228 HydrophobicContact CD2-CG2 4.03Å; A166-V228 HydrophobicContact CB-CG1 3.51Å; A166-V228 HydrophobicContact CB-CG2 4.41Å; E224-V228 WeakPolarHBondContact O-CG2 3.17Å; E224-V228 PolarHBondContact O-N 2.99Å; V225-V228 WeakPolarHBondContact O-CB 3.45Å; V225-V228 PolarHBondContact O-N 2.8Å; E226-V228 VanDerWaalsContact C-N 3.29Å; E226-V228 PolarHBondContact O-N 3.47Å; V228-C230 VanDerWaalsContact C-N 3.26Å; V228-C230 PolarHBondContact O-N 3.4Å; V228-S231 WeakPolarHBondContact O-CB 3.44Å; V228-S231 PolarHBondContact O-N 3.44Å; V228-S231 PolarHBondContact O-OG 2.96Å; V228-Y234 HydrophobicContact CG1-CD1 4.27Å; V228-Y234 HydrophobicContact CG1-CD2 3.66Å; V228-Y234 HydrophobicContact CG1-CE2 4Å; V228-Y234 HydrophobicContact CG1-CG 3.8Å; V228-Y234 WeakPolarHBondContact O-CB 3.45Å; V228-Y234 WeakPolarHBondContact O-CD1 3.19Å
229	R	98.1	Very high	97.9	Very high	96 Å²	96	61.5 Å²	61.5	36%	0.362	31%	0.31	S	S	.	.	H	α-helix	trans	-57.1	-38.7	179.8	-73.6	172.6	172.4	178.4	-7.7	112.8	T162 V225 E226 Q235	T162-R229 HydrophobicContact CG2-CG 4.01Å; V225-R229 WeakPolarHBondContact O-CG 3.49Å; V225-R229 PolarHBondContact O-N 2.82Å; E226-R229 PolarHBondContact O-N 2.61Å; E226-R229 WeakPolarHBondContact OE1-CD 3.24Å; E226-R229 IonicContact OE1-CZ 3.65Å; E226-R229 IonicContact OE1-NE 3.93Å; E226-R229 IonicContact OE1-NH1 3.67Å; E226-R229 PolarHBondContact OE1-NH1 2.87Å; R229-Q235 WeakPolarHBondContact O-CG 3.39Å; R229-Q235 PolarHBondContact O-NE2 2.73Å
230	C	98.1	Very high	98	Very high	92 Å²	92	56.7 Å²	56.7	62%	0.622	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.1	179.9	-65.9	0	0	0	0	114	E226 V228	E226-C230 WeakPolarHBondContact O-CB 3.2Å; E226-C230 PolarHBondContact O-N 3.02Å; E226-C230 PolarHBondContact O-SG 3.11Å; E226-C230 VanDerWaalsContact O-SG 3.41Å; V228-C230 VanDerWaalsContact C-N 3.26Å; V228-C230 PolarHBondContact O-N 3.4Å
231	S	98.4	Very high	98.2	Very high	41 Å²	41	55.8 Å²	55.8	29%	0.287	27%	0.268	S	S	.	.			trans	-74.4	131.7	-179.5	72	0	0	0	0	111.3	R227 V228 R233 Y234 Q235	R227-S231 WeakPolarHBondContact O-CB 3.33Å; R227-S231 PolarHBondContact O-N 2.91Å; R227-S231 VanDerWaalsContact O-N 3.12Å; V228-S231 WeakPolarHBondContact O-CB 3.44Å; V228-S231 PolarHBondContact O-N 3.44Å; V228-S231 PolarHBondContact O-OG 2.96Å; S231-R233 PolarHBondContact O-N 3.06Å; S231-Y234 PolarHBondContact O-N 2.96Å; S231-Y234 VanDerWaalsContact O-N 3.17Å; S231-Y234 WeakPolarHBondContact OG-CB 3.42Å; S231-Y234 PolarHBondContact OG-N 3.5Å; S231-Q235 WeakPolarHBondContact O-CG 3.31Å; S231-Q235 PolarHBondContact O-N 2.9Å
232	E	98.5	Very high	98.2	Very high	107 Å²	107	57.2 Å²	57.2	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-51.9	-45	174.8	-177.9	-170	-158.9	0	0	110.9	Y234 Q235 T236 Y255 R260	E232-Y234 PolarHBondContact O-N 3.48Å; E232-Q235 PolarHBondContact O-N 3.22Å; E232-T236 WeakPolarHBondContact O-CB 3.44Å; E232-T236 PolarHBondContact O-N 2.77Å; E232-T236 PolarHBondContact O-OG1 3.36Å; E232-T236 VanDerWaalsContact O-OG1 3.13Å; E232-Y255 HydrophobicContact CG-CE2 4.41Å; E232-R260 VanDerWaalsContact CD-NE 3.28Å; E232-R260 VanDerWaalsContact OE1-CD 3.24Å; E232-R260 WeakPolarHBondContact OE1-CD 3.34Å; E232-R260 IonicContact OE1-CZ 2.74Å; E232-R260 IonicContact OE1-NE 3.83Å; E232-R260 PolarHBondContact OE1-NE 3.14Å; E232-R260 IonicContact OE1-NH2 3.79Å; E232-R260 IonicContact OE2-NE 2.71Å
233	R	98.1	Very high	98.2	Very high	37 Å²	37	57.3 Å²	57.3	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-52.8	-54.4	177.2	175.7	58.8	178.9	-179.6	-1.3	112.3	F169 E170 S231 M237 D252 Y255	F169-R233 PolarHBondContact O-NH2 3.39Å; E170-R233 WeakPolarHBondContact OE1-CG 3.26Å; E170-R233 IonicContact OE1-CZ 3.75Å; E170-R233 IonicContact OE1-NE 3.64Å; E170-R233 PolarHBondContact OE1-NE 2.96Å; E170-R233 IonicContact OE1-NH2 3.79Å; S231-R233 PolarHBondContact O-N 3.06Å; R233-M237 HydrophobicContact CG-CG 4.5Å; R233-M237 VanDerWaalsContact CZ-SD 3.5Å; R233-M237 PolarHBondContact NH1-SD 2.99Å; R233-M237 VanDerWaalsContact O-CB 3.25Å; R233-M237 WeakPolarHBondContact O-CB 3.38Å; R233-M237 WeakPolarHBondContact O-CG 3.27Å; R233-M237 PolarHBondContact O-N 2.97Å; R233-D252 IonicContact CZ-OD1 3.91Å; R233-D252 IonicContact NH1-OD1 3.67Å; R233-D252 PolarHBondContact NH1-OD1 3.46Å; R233-D252 IonicContact NH2-OD1 3.84Å; R233-D252 PolarHBondContact NH2-OD1 3.45Å; R233-Y255 HydrophobicContact CB-CE2 4.3Å; R233-Y255 VanDerWaalsContact NH1-CB 3.28Å
234	Y	98.6	Very high	98.1	Very high	15 Å²	15	51.4 Å²	51.4	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-44	-178.5	175.5	-100.4	0	0	0	111.5	E165 A166 F169 V228 S231 E232 M237 K238	E165-Y234 HydrophobicContact CB-CE2 4.31Å; E165-Y234 HydrophobicContact CG-CE2 4.07Å; E165-Y234 PolarHBondContact OE2-OH 2.87Å; A166-Y234 HydrophobicContact CB-CD2 3.82Å; A166-Y234 HydrophobicContact CB-CE2 4.1Å; F169-Y234 AromaticContact CD2-CD2 3.8Å; F169-Y234 HydrophobicContact CD2-CD2 3.8Å; F169-Y234 HydrophobicContact CD2-CE2 4.24Å; F169-Y234 AromaticContact CE2-CD2 3.79Å; F169-Y234 HydrophobicContact CE2-CD2 3.79Å; F169-Y234 AromaticContact CE2-CE2 3.87Å; F169-Y234 HydrophobicContact CE2-CE2 3.87Å; V228-Y234 HydrophobicContact CG1-CD1 4.27Å; V228-Y234 HydrophobicContact CG1-CD2 3.66Å; V228-Y234 HydrophobicContact CG1-CE2 4Å; V228-Y234 HydrophobicContact CG1-CG 3.8Å; V228-Y234 WeakPolarHBondContact O-CB 3.45Å; V228-Y234 WeakPolarHBondContact O-CD1 3.19Å; S231-Y234 PolarHBondContact O-N 2.96Å; S231-Y234 VanDerWaalsContact O-N 3.17Å; S231-Y234 WeakPolarHBondContact OG-CB 3.42Å; S231-Y234 PolarHBondContact OG-N 3.5Å; E232-Y234 PolarHBondContact O-N 3.48Å; Y234-M237 PolarHBondContact O-N 2.97Å; Y234-K238 HydrophobicContact CE1-CD 4.02Å; Y234-K238 WeakPolarHBondContact O-CB 3.25Å; Y234-K238 PolarHBondContact O-N 2.88Å; Y234-K238 PolarHBondContact OH-NZ 3.37Å
235	Q	98.7	Very high	98	Very high	104 Å²	104	51.1 Å²	51.1	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-62	-47.3	-179.6	-68.3	176.8	0.6	0	0	112	R229 S231 E232 K238 L239	R229-Q235 WeakPolarHBondContact O-CG 3.39Å; R229-Q235 PolarHBondContact O-NE2 2.73Å; S231-Q235 WeakPolarHBondContact O-CG 3.31Å; S231-Q235 PolarHBondContact O-N 2.9Å; E232-Q235 PolarHBondContact O-N 3.22Å; Q235-K238 PolarHBondContact O-N 2.86Å; Q235-L239 WeakPolarHBondContact O-CB 3.17Å; Q235-L239 PolarHBondContact O-N 3.05Å
236	T	98.7	Very high	98	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-43	177.8	-58.4	0	0	0	0	111.9	E232 K238 L239 F240 Y255 R260	E232-T236 WeakPolarHBondContact O-CB 3.44Å; E232-T236 PolarHBondContact O-N 2.77Å; E232-T236 PolarHBondContact O-OG1 3.36Å; E232-T236 VanDerWaalsContact O-OG1 3.13Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.29Å; T236-L239 PolarHBondContact O-N 3.36Å; T236-F240 HydrophobicContact CG2-CD2 3.64Å; T236-F240 HydrophobicContact CG2-CE1 4.28Å; T236-F240 HydrophobicContact CG2-CE2 3.28Å; T236-F240 HydrophobicContact CG2-CG 4.29Å; T236-F240 HydrophobicContact CG2-CZ 3.65Å; T236-F240 WeakPolarHBondContact O-CB 3.43Å; T236-F240 WeakPolarHBondContact O-CG 3.24Å; T236-F240 PolarHBondContact O-N 2.74Å; T236-Y255 HydrophobicContact CG2-CD2 3.66Å; T236-Y255 HydrophobicContact CG2-CE2 4.32Å; T236-R260 VanDerWaalsContact OG1-CD 3.3Å; T236-R260 WeakPolarHBondContact OG1-CD 3.32Å
237	M	98.6	Very high	97.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-42.1	177.7	-72.7	-62.8	-70	0	0	111.7	F169 R233 Y234 F240 T241 V248 A251 D252	F169-M237 HydrophobicContact CB-CB 4.03Å; F169-M237 HydrophobicContact CB-CE 3.98Å; F169-M237 HydrophobicContact CB-CG 4.15Å; F169-M237 HydrophobicContact CD1-CB 4.05Å; F169-M237 HydrophobicContact CD1-CE 4.17Å; F169-M237 HydrophobicContact CD2-CB 3.5Å; F169-M237 VanDerWaalsContact CD2-CB 3.5Å; F169-M237 HydrophobicContact CD2-CG 4.44Å; F169-M237 HydrophobicContact CE1-CB 4.39Å; F169-M237 HydrophobicContact CE2-CB 3.87Å; F169-M237 HydrophobicContact CG-CB 3.6Å; F169-M237 HydrophobicContact CG-CE 4.25Å; F169-M237 HydrophobicContact CG-CG 4.28Å; F169-M237 HydrophobicContact CZ-CB 4.31Å; R233-M237 HydrophobicContact CG-CG 4.5Å; R233-M237 VanDerWaalsContact CZ-SD 3.5Å; R233-M237 PolarHBondContact NH1-SD 2.99Å; R233-M237 VanDerWaalsContact O-CB 3.25Å; R233-M237 WeakPolarHBondContact O-CB 3.38Å; R233-M237 WeakPolarHBondContact O-CG 3.27Å; R233-M237 PolarHBondContact O-N 2.97Å; Y234-M237 PolarHBondContact O-N 2.97Å; M237-F240 PolarHBondContact O-N 3.12Å; M237-T241 WeakPolarHBondContact O-CB 3.45Å; M237-T241 VanDerWaalsContact O-CG2 3.31Å; M237-T241 WeakPolarHBondContact O-CG2 3.36Å; M237-T241 PolarHBondContact O-N 2.87Å; M237-T241 PolarHBondContact O-OG1 2.67Å; M237-V248 HydrophobicContact CE-CG1 4.13Å; M237-A251 HydrophobicContact CE-CB 3.89Å; M237-A251 VanDerWaalsContact SD-C 3.59Å; M237-A251 HydrophobicContact SD-CB 3.87Å; M237-D252 HydrophobicContact CE-CB 3.71Å; M237-D252 VanDerWaalsContact SD-CA 3.59Å; M237-D252 HydrophobicContact SD-CB 4.14Å
238	K	98.1	Very high	97.8	Very high	64 Å²	64	45 Å²	45	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-46.7	175.3	-171.2	162.6	-171	146.1	0	111.7	E165 F169 Y234 Q235 T236 F240 T241 Q242	E165-K238 IonicContact OE1-NZ 3.67Å; E165-K238 IonicContact OE2-NZ 3.29Å; E165-K238 PolarHBondContact OE2-NZ 3.24Å; F169-K238 HydrophobicContact CE2-CB 3.99Å; F169-K238 HydrophobicContact CZ-CB 4.13Å; Y234-K238 HydrophobicContact CE1-CD 4.02Å; Y234-K238 WeakPolarHBondContact O-CB 3.25Å; Y234-K238 PolarHBondContact O-N 2.88Å; Y234-K238 PolarHBondContact OH-NZ 3.37Å; Q235-K238 PolarHBondContact O-N 2.86Å; T236-K238 VanDerWaalsContact C-N 3.33Å; T236-K238 PolarHBondContact O-N 3.29Å; K238-F240 PolarHBondContact O-N 3.21Å; K238-T241 PolarHBondContact O-N 3.13Å; K238-T241 PolarHBondContact O-OG1 2.9Å; K238-Q242 VanDerWaalsContact O-CG 3.25Å; K238-Q242 WeakPolarHBondContact O-CG 3.47Å; K238-Q242 PolarHBondContact O-N 2.89Å
239	L	98.2	Very high	97.7	Very high	50 Å²	50	54.7 Å²	54.7	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-56.9	-49.9	175.6	177.2	65.1	0	0	0	111.7	Q235 T236 Q242 L262	Q235-L239 WeakPolarHBondContact O-CB 3.17Å; Q235-L239 PolarHBondContact O-N 3.05Å; T236-L239 PolarHBondContact O-N 3.36Å; L239-Q242 PolarHBondContact O-N 2.95Å; L239-L262 HydrophobicContact CD1-CD1 4.28Å; L239-L262 HydrophobicContact CD1-CD2 3.95Å; L239-L262 HydrophobicContact CD1-CG 4.02Å; L239-L262 HydrophobicContact CD2-CD2 4.31Å; L239-L262 HydrophobicContact CD2-CG 4.32Å; L239-L262 HydrophobicContact CG-CD2 3.94Å; L239-L262 HydrophobicContact CG-CG 4.3Å
240	F	98.4	Very high	97.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-40.7	-177.1	-70.1	-16.7	0	0	0	112.9	T236 M237 K238 Q242 I243 V246 A251 W254 L259 T261 L265	T236-F240 HydrophobicContact CG2-CD2 3.64Å; T236-F240 HydrophobicContact CG2-CE1 4.28Å; T236-F240 HydrophobicContact CG2-CE2 3.28Å; T236-F240 HydrophobicContact CG2-CG 4.29Å; T236-F240 HydrophobicContact CG2-CZ 3.65Å; T236-F240 WeakPolarHBondContact O-CB 3.43Å; T236-F240 WeakPolarHBondContact O-CG 3.24Å; T236-F240 PolarHBondContact O-N 2.74Å; M237-F240 PolarHBondContact O-N 3.12Å; K238-F240 PolarHBondContact O-N 3.21Å; F240-Q242 PolarHBondContact O-N 3.49Å; F240-I243 HydrophobicContact CD1-CD1 4.31Å; F240-I243 WeakPolarHBondContact O-CB 3.36Å; F240-I243 WeakPolarHBondContact O-CG1 3.3Å; F240-I243 PolarHBondContact O-N 3.28Å; F240-I243 VanDerWaalsContact O-N 3.12Å; F240-V246 HydrophobicContact CB-CG1 4.38Å; F240-V246 VanDerWaalsContact O-CB 3.27Å; F240-V246 WeakPolarHBondContact O-CB 3.39Å; F240-V246 VanDerWaalsContact O-CG1 3.23Å; F240-V246 WeakPolarHBondContact O-CG1 3.39Å; F240-A251 HydrophobicContact CB-CB 3.58Å; F240-A251 HydrophobicContact CD2-CB 4.33Å; F240-A251 HydrophobicContact CG-CB 4.49Å; F240-W254 HydrophobicContact CB-CE3 4.28Å; F240-W254 HydrophobicContact CD1-CE3 4.48Å; F240-W254 HydrophobicContact CD2-CB 4.04Å; F240-W254 HydrophobicContact CD2-CE3 4.06Å; F240-W254 HydrophobicContact CE2-CB 3.76Å; F240-W254 HydrophobicContact CE2-CE3 4.5Å; F240-W254 HydrophobicContact CG-CE3 4.04Å; F240-L259 HydrophobicContact CE2-CB 4.23Å; F240-L259 WeakPolarHBondContact CE2-O 3.29Å; F240-L259 HydrophobicContact CZ-CB 3.91Å; F240-T261 WeakPolarHBondContact CE1-O 3.42Å; F240-L265 HydrophobicContact CD1-CD1 3.8Å; F240-L265 HydrophobicContact CE1-CD1 3.72Å; F240-L265 HydrophobicContact CE1-CD2 4.42Å; F240-L265 HydrophobicContact CE1-CG 4.08Å; F240-L265 HydrophobicContact CZ-CD2 4.44Å
241	T	97.8	Very high	97.7	Very high	36 Å²	36	47 Å²	47	22%	0.221	24%	0.239	C	C	.	.	H	α-helix	trans	-74	-11.9	-179.1	54.4	0	0	0	0	113.9	F169 M237 K238 I243 V248 A251	F169-T241 HydrophobicContact CE1-CG2 4Å; F169-T241 WeakPolarHBondContact CE1-OG1 3.41Å; M237-T241 WeakPolarHBondContact O-CB 3.45Å; M237-T241 VanDerWaalsContact O-CG2 3.31Å; M237-T241 WeakPolarHBondContact O-CG2 3.36Å; M237-T241 PolarHBondContact O-N 2.87Å; M237-T241 PolarHBondContact O-OG1 2.67Å; K238-T241 PolarHBondContact O-N 3.13Å; K238-T241 PolarHBondContact O-OG1 2.9Å; T241-I243 VanDerWaalsContact C-N 3.28Å; T241-V248 HydrophobicContact CG2-CG2 4.47Å; T241-A251 HydrophobicContact CG2-CB 3.65Å
242	Q	96.4	Very high	97.7	Very high	106 Å²	106	46.3 Å²	46.3	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.9	168.8	-76.2	174.1	-6.8	0	0	113.2	K238 L239 F240 F244	K238-Q242 VanDerWaalsContact O-CG 3.25Å; K238-Q242 WeakPolarHBondContact O-CG 3.47Å; K238-Q242 PolarHBondContact O-N 2.89Å; L239-Q242 PolarHBondContact O-N 2.95Å; F240-Q242 PolarHBondContact O-N 3.49Å; Q242-F244 PolarHBondContact O-N 2.94Å
243	I	97.6	Very high	97.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-74.8	124.6	175.7	-55	162.8	0	0	0	109.1	F240 T241 G245 V246 W254 L262 L265 L280	F240-I243 HydrophobicContact CD1-CD1 4.31Å; F240-I243 WeakPolarHBondContact O-CB 3.36Å; F240-I243 WeakPolarHBondContact O-CG1 3.3Å; F240-I243 PolarHBondContact O-N 3.28Å; F240-I243 VanDerWaalsContact O-N 3.12Å; T241-I243 VanDerWaalsContact C-N 3.28Å; I243-G245 PolarHBondContact O-N 3.31Å; I243-V246 HydrophobicContact CB-CB 4.1Å; I243-V246 HydrophobicContact CB-CG2 3.67Å; I243-V246 HydrophobicContact CD1-CG2 4.35Å; I243-V246 HydrophobicContact CG2-CG2 3.73Å; I243-V246 WeakPolarHBondContact O-CB 3.42Å; I243-V246 PolarHBondContact O-N 2.95Å; I243-W254 HydrophobicContact CD1-CZ3 4.26Å; I243-L262 HydrophobicContact CD1-CD2 3.62Å; I243-L262 HydrophobicContact CG1-CD2 3.98Å; I243-L265 HydrophobicContact CD1-CD1 3.46Å; I243-L265 VanDerWaalsContact CD1-CD1 3.46Å; I243-L280 HydrophobicContact CD1-CD2 3.8Å; I243-L280 HydrophobicContact CD1-CG 4.35Å; I243-L280 HydrophobicContact CG1-CD2 4.26Å; I243-L280 HydrophobicContact CG2-CD2 4.33Å; I243-L280 HydrophobicContact CG2-CG 3.93Å
244	F	96.8	Very high	97.7	Very high	31 Å²	31	45.2 Å²	45.2	14%	0.136	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	127.2	173.6	174.3	-120.6	0	0	0	111.6	Q242 Q275 L286 Y362 F389 I391 R416	Q242-F244 PolarHBondContact O-N 2.94Å; F244-Q275 HydrophobicContact CD1-CG 3.87Å; F244-Q275 HydrophobicContact CE1-CG 3.5Å; F244-Q275 VanDerWaalsContact CE1-CG 3.5Å; F244-Q275 HydrophobicContact CE2-CG 4.3Å; F244-Q275 HydrophobicContact CG-CG 4.47Å; F244-Q275 HydrophobicContact CZ-CG 3.74Å; F244-Q275 VanDerWaalsContact CZ-NE2 3.34Å; F244-L286 HydrophobicContact CB-CD1 4.08Å; F244-Y362 AromaticContact CE1-CD1 3.67Å; F244-Y362 HydrophobicContact CE1-CD1 3.67Å; F244-Y362 AromaticContact CE1-CE1 3.45Å; F244-Y362 HydrophobicContact CE1-CE1 3.45Å; F244-Y362 VanDerWaalsContact CE1-CE1 3.45Å; F244-Y362 HydrophobicContact CZ-CD1 4.31Å; F244-Y362 AromaticContact CZ-CE1 3.83Å; F244-Y362 HydrophobicContact CZ-CE1 3.83Å; F244-F389 HydrophobicContact CZ-CB 4.18Å; F244-I391 HydrophobicContact CD1-CD1 3.95Å; F244-I391 HydrophobicContact CD1-CG1 4.3Å; F244-I391 HydrophobicContact CE1-CD1 4.22Å; F244-I391 HydrophobicContact CE1-CG1 4.24Å; F244-R416 VanDerWaalsContact CD2-NE 3.26Å
245	G	95.3	Very high	97.7	Very high	22 Å²	22	46.5 Å²	46.5	23%	0.227	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	6.7	-174.3	0	0	0	0	0	115.4	I243 Q275 Q276	I243-G245 PolarHBondContact O-N 3.31Å; G245-Q275 VanDerWaalsContact CA-OE1 3.23Å; G245-Q276 VanDerWaalsContact O-CG 3.29Å; G245-Q276 WeakPolarHBondContact O-CG 3.39Å; G245-Q276 PolarHBondContact O-NE2 3.27Å
246	V	97.5	Very high	97.7	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	24%	0.237	C	C	.	.			trans	-115.5	109.7	177.4	-176.1	0	0	0	0	110.2	F240 I243 T250 A251 W254 Q276	F240-V246 HydrophobicContact CB-CG1 4.38Å; F240-V246 VanDerWaalsContact O-CB 3.27Å; F240-V246 WeakPolarHBondContact O-CB 3.39Å; F240-V246 VanDerWaalsContact O-CG1 3.23Å; F240-V246 WeakPolarHBondContact O-CG1 3.39Å; I243-V246 HydrophobicContact CB-CB 4.1Å; I243-V246 HydrophobicContact CB-CG2 3.67Å; I243-V246 HydrophobicContact CD1-CG2 4.35Å; I243-V246 HydrophobicContact CG2-CG2 3.73Å; I243-V246 WeakPolarHBondContact O-CB 3.42Å; I243-V246 PolarHBondContact O-N 2.95Å; V246-T250 HydrophobicContact CG1-CG2 4.06Å; V246-A251 HydrophobicContact CG1-CB 4.05Å; V246-W254 HydrophobicContact CB-CH2 4.46Å; V246-W254 HydrophobicContact CB-CZ3 4.19Å; V246-W254 HydrophobicContact CG1-CE3 4.1Å; V246-W254 HydrophobicContact CG1-CH2 4.14Å; V246-W254 HydrophobicContact CG1-CZ3 3.55Å; V246-W254 HydrophobicContact CG2-CH2 3.43Å; V246-W254 VanDerWaalsContact CG2-CH2 3.43Å; V246-W254 HydrophobicContact CG2-CZ3 3.49Å; V246-W254 VanDerWaalsContact CG2-CZ3 3.49Å; V246-Q276 HydrophobicContact CG2-CG 3.84Å
247	G	96.5	Very high	97.6	Very high	42 Å²	42	53.7 Å²	53.7	43%	0.433	25%	0.254	S	S	.	.			trans	-92.7	172.5	170.5	0	0	0	0	0	112.4	R249 T250 A251	G247-R249 VanDerWaalsContact C-N 3.27Å; G247-R249 PolarHBondContact O-N 3.41Å; G247-R249 VanDerWaalsContact O-N 3.17Å; G247-T250 PolarHBondContact O-N 2.8Å; G247-A251 PolarHBondContact O-N 3.11Å
248	V	97.1	Very high	97.6	Very high	58 Å²	58	55.9 Å²	55.9	35%	0.352	28%	0.276	S	S	.	.	H	α-helix	trans	-47.2	-47.4	179.2	175.3	0	0	0	0	112.3	F169 M237 T241 T250 A251 D252	F169-V248 HydrophobicContact CD1-CG2 4.3Å; M237-V248 HydrophobicContact CE-CG1 4.13Å; T241-V248 HydrophobicContact CG2-CG2 4.47Å; V248-T250 VanDerWaalsContact C-N 3.34Å; V248-T250 PolarHBondContact O-N 3.26Å; V248-A251 PolarHBondContact O-N 2.79Å; V248-D252 WeakPolarHBondContact O-CB 3.45Å; V248-D252 PolarHBondContact O-N 2.95Å
249	R	97.2	Very high	97.6	Very high	225 Å²	225	53.5 Å²	53.5	85%	0.849	27%	0.266	S	S	*	.	H	α-helix	trans	-60.5	-39.7	-179.1	-69	-170.2	-110.8	-152.5	-3	113.4	G247 R253	G247-R249 VanDerWaalsContact C-N 3.27Å; G247-R249 PolarHBondContact O-N 3.41Å; G247-R249 VanDerWaalsContact O-N 3.17Å; R249-R253 WeakPolarHBondContact O-CB 3.39Å; R249-R253 PolarHBondContact O-N 2.92Å; R249-R253 VanDerWaalsContact O-N 3.09Å
250	T	97.9	Very high	97.6	Very high	27 Å²	27	54.1 Å²	54.1	17%	0.166	27%	0.265	C	S	.	.	H	α-helix	trans	-72.7	-46.7	179.5	-59.8	0	0	0	0	110.8	V246 G247 V248 D252 R253 W254	V246-T250 HydrophobicContact CG1-CG2 4.06Å; G247-T250 PolarHBondContact O-N 2.8Å; V248-T250 VanDerWaalsContact C-N 3.34Å; V248-T250 PolarHBondContact O-N 3.26Å; T250-D252 VanDerWaalsContact C-N 3.3Å; T250-D252 PolarHBondContact O-N 3.1Å; T250-R253 PolarHBondContact O-N 2.9Å; T250-W254 HydrophobicContact CG2-CD2 3.92Å; T250-W254 HydrophobicContact CG2-CE3 4.17Å; T250-W254 HydrophobicContact CG2-CH2 3.82Å; T250-W254 HydrophobicContact CG2-CZ2 3.51Å; T250-W254 HydrophobicContact CG2-CZ3 4.14Å; T250-W254 PolarHBondContact O-N 3.24Å
251	A	98.3	Very high	97.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-43.9	176.6	0	0	0	0	0	111.8	M237 F240 T241 V246 G247 V248 W254 Y255	M237-A251 HydrophobicContact CE-CB 3.89Å; M237-A251 VanDerWaalsContact SD-C 3.59Å; M237-A251 HydrophobicContact SD-CB 3.87Å; F240-A251 HydrophobicContact CB-CB 3.58Å; F240-A251 HydrophobicContact CD2-CB 4.33Å; F240-A251 HydrophobicContact CG-CB 4.49Å; T241-A251 HydrophobicContact CG2-CB 3.65Å; V246-A251 HydrophobicContact CG1-CB 4.05Å; G247-A251 PolarHBondContact O-N 3.11Å; V248-A251 PolarHBondContact O-N 2.79Å; A251-W254 PolarHBondContact O-N 2.91Å; A251-Y255 WeakPolarHBondContact O-CB 3.32Å; A251-Y255 PolarHBondContact O-N 3.22Å
252	D	98.2	Very high	97.5	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.134	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-41.5	179.5	166.8	61.2	0	0	0	112.3	R233 M237 V248 T250 Y255 R256	R233-D252 IonicContact CZ-OD1 3.91Å; R233-D252 IonicContact NH1-OD1 3.67Å; R233-D252 PolarHBondContact NH1-OD1 3.46Å; R233-D252 IonicContact NH2-OD1 3.84Å; R233-D252 PolarHBondContact NH2-OD1 3.45Å; M237-D252 HydrophobicContact CE-CB 3.71Å; M237-D252 VanDerWaalsContact SD-CA 3.59Å; M237-D252 HydrophobicContact SD-CB 4.14Å; V248-D252 WeakPolarHBondContact O-CB 3.45Å; V248-D252 PolarHBondContact O-N 2.95Å; T250-D252 VanDerWaalsContact C-N 3.3Å; T250-D252 PolarHBondContact O-N 3.1Å; D252-Y255 PolarHBondContact O-N 3.31Å; D252-R256 VanDerWaalsContact CG-CZ 3.42Å; D252-R256 VanDerWaalsContact CG-NH1 3.32Å; D252-R256 WeakPolarHBondContact O-CG 3.45Å; D252-R256 PolarHBondContact O-N 3.02Å; D252-R256 VanDerWaalsContact O-N 3.08Å; D252-R256 IonicContact OD1-CZ 2.75Å; D252-R256 IonicContact OD1-NE 3.88Å; D252-R256 IonicContact OD1-NH1 3.23Å; D252-R256 IonicContact OD1-NH2 3.91Å; D252-R256 PolarHBondContact OD1-NH2 2.65Å; D252-R256 VanDerWaalsContact OD1-NH2 3.14Å; D252-R256 IonicContact OD2-CZ 3.78Å; D252-R256 IonicContact OD2-NH1 3.03Å; D252-R256 PolarHBondContact OD2-NH1 3.25Å; D252-R256 IonicContact OD2-NH2 2.7Å; D252-R256 PolarHBondContact OD2-NH2 3.31Å
253	R	98.1	Very high	97.6	Very high	118 Å²	118	55.5 Å²	55.5	45%	0.445	28%	0.277	S	S	.	.	H	α-helix	trans	-58.5	-49.9	170.4	179.1	-179.1	62.9	-161.9	1.7	111.5	R249 T250 Y255 R256 E257	R249-R253 WeakPolarHBondContact O-CB 3.39Å; R249-R253 PolarHBondContact O-N 2.92Å; R249-R253 VanDerWaalsContact O-N 3.09Å; T250-R253 PolarHBondContact O-N 2.9Å; R253-Y255 VanDerWaalsContact C-N 3.32Å; R253-Y255 PolarHBondContact O-N 3.42Å; R253-R256 PolarHBondContact O-N 3.49Å; R253-R256 VanDerWaalsContact O-N 3.14Å; R253-E257 VanDerWaalsContact CG-OE1 3.29Å; R253-E257 WeakPolarHBondContact CG-OE1 3.17Å; R253-E257 PolarHBondContact O-N 3.42Å
254	W	98.1	Very high	97.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-40.4	178.6	-70.1	-24.2	0	0	0	113	F240 I243 V246 T250 A251 R256 E257 G258 L259 L265 L272	F240-W254 HydrophobicContact CB-CE3 4.28Å; F240-W254 HydrophobicContact CD1-CE3 4.48Å; F240-W254 HydrophobicContact CD2-CB 4.04Å; F240-W254 HydrophobicContact CD2-CE3 4.06Å; F240-W254 HydrophobicContact CE2-CB 3.76Å; F240-W254 HydrophobicContact CE2-CE3 4.5Å; F240-W254 HydrophobicContact CG-CE3 4.04Å; I243-W254 HydrophobicContact CD1-CZ3 4.26Å; V246-W254 HydrophobicContact CB-CH2 4.46Å; V246-W254 HydrophobicContact CB-CZ3 4.19Å; V246-W254 HydrophobicContact CG1-CE3 4.1Å; V246-W254 HydrophobicContact CG1-CH2 4.14Å; V246-W254 HydrophobicContact CG1-CZ3 3.55Å; V246-W254 HydrophobicContact CG2-CH2 3.43Å; V246-W254 VanDerWaalsContact CG2-CH2 3.43Å; V246-W254 HydrophobicContact CG2-CZ3 3.49Å; V246-W254 VanDerWaalsContact CG2-CZ3 3.49Å; T250-W254 HydrophobicContact CG2-CD2 3.92Å; T250-W254 HydrophobicContact CG2-CE3 4.17Å; T250-W254 HydrophobicContact CG2-CH2 3.82Å; T250-W254 HydrophobicContact CG2-CZ2 3.51Å; T250-W254 HydrophobicContact CG2-CZ3 4.14Å; T250-W254 PolarHBondContact O-N 3.24Å; A251-W254 PolarHBondContact O-N 2.91Å; W254-R256 VanDerWaalsContact C-N 3.35Å; W254-R256 PolarHBondContact O-N 3.4Å; W254-E257 WeakPolarHBondContact O-CB 3.31Å; W254-E257 PolarHBondContact O-N 3.38Å; W254-G258 PolarHBondContact O-N 2.85Å; W254-L259 HydrophobicContact CB-CB 4.32Å; W254-L259 HydrophobicContact CB-CD1 3.96Å; W254-L259 HydrophobicContact CB-CG 4.48Å; W254-L259 HydrophobicContact CG-CD1 4.02Å; W254-L259 WeakPolarHBondContact O-CB 3.43Å; W254-L259 PolarHBondContact O-N 3.06Å; W254-L265 HydrophobicContact CD2-CD2 3.56Å; W254-L265 HydrophobicContact CE3-CD1 3.94Å; W254-L265 HydrophobicContact CE3-CD2 3.55Å; W254-L265 HydrophobicContact CE3-CG 4.42Å; W254-L265 HydrophobicContact CG-CD2 4.02Å; W254-L265 HydrophobicContact CH2-CD1 4.18Å; W254-L265 HydrophobicContact CH2-CD2 4.16Å; W254-L265 HydrophobicContact CZ2-CD2 4.19Å; W254-L265 HydrophobicContact CZ3-CD1 3.61Å; W254-L265 HydrophobicContact CZ3-CD2 3.85Å; W254-L265 HydrophobicContact CZ3-CG 4.4Å; W254-L272 HydrophobicContact CH2-CD2 4.03Å; W254-L272 HydrophobicContact CZ2-CD2 3.64Å
255	Y	98.4	Very high	97.6	Very high	42 Å²	42	55.9 Å²	55.9	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-44.2	174.2	-175.1	-89.2	0	0	0	112	E232 R233 T236 A251 D252 R253 E257 G258 R260	E232-Y255 HydrophobicContact CG-CE2 4.41Å; R233-Y255 HydrophobicContact CB-CE2 4.3Å; R233-Y255 VanDerWaalsContact NH1-CB 3.28Å; T236-Y255 HydrophobicContact CG2-CD2 3.66Å; T236-Y255 HydrophobicContact CG2-CE2 4.32Å; A251-Y255 WeakPolarHBondContact O-CB 3.32Å; A251-Y255 PolarHBondContact O-N 3.22Å; D252-Y255 PolarHBondContact O-N 3.31Å; R253-Y255 VanDerWaalsContact C-N 3.32Å; R253-Y255 PolarHBondContact O-N 3.42Å; Y255-E257 VanDerWaalsContact C-N 3.29Å; Y255-E257 PolarHBondContact O-N 3.2Å; Y255-G258 PolarHBondContact O-N 3.31Å; Y255-R260 VanDerWaalsContact CE2-CZ 3.44Å; Y255-R260 PolarHBondContact O-NH1 3.4Å
256	R	98.1	Very high	97.6	Very high	175 Å²	175	60.3 Å²	60.3	66%	0.66	29%	0.29	S	S	*	.	H	α-helix	trans	-66.5	-29.9	175.8	-67.6	-167.9	-156.5	91.3	-1.8	113.2	D252 R253 W254 G258	D252-R256 VanDerWaalsContact CG-CZ 3.42Å; D252-R256 VanDerWaalsContact CG-NH1 3.32Å; D252-R256 WeakPolarHBondContact O-CG 3.45Å; D252-R256 PolarHBondContact O-N 3.02Å; D252-R256 VanDerWaalsContact O-N 3.08Å; D252-R256 IonicContact OD1-CZ 2.75Å; D252-R256 IonicContact OD1-NE 3.88Å; D252-R256 IonicContact OD1-NH1 3.23Å; D252-R256 IonicContact OD1-NH2 3.91Å; D252-R256 PolarHBondContact OD1-NH2 2.65Å; D252-R256 VanDerWaalsContact OD1-NH2 3.14Å; D252-R256 IonicContact OD2-CZ 3.78Å; D252-R256 IonicContact OD2-NH1 3.03Å; D252-R256 PolarHBondContact OD2-NH1 3.25Å; D252-R256 IonicContact OD2-NH2 2.7Å; D252-R256 PolarHBondContact OD2-NH2 3.31Å; R253-R256 PolarHBondContact O-N 3.49Å; R253-R256 VanDerWaalsContact O-N 3.14Å; W254-R256 VanDerWaalsContact C-N 3.35Å; W254-R256 PolarHBondContact O-N 3.4Å; R256-G258 PolarHBondContact O-N 3.39Å
257	E	97.7	Very high	97.5	Very high	89 Å²	89	66.8 Å²	66.8	42%	0.416	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.5	171.8	-72	178.1	-143.4	0	0	112.9	R253 W254 Y255 L259 K271	R253-E257 VanDerWaalsContact CG-OE1 3.29Å; R253-E257 WeakPolarHBondContact CG-OE1 3.17Å; R253-E257 PolarHBondContact O-N 3.42Å; W254-E257 WeakPolarHBondContact O-CB 3.31Å; W254-E257 PolarHBondContact O-N 3.38Å; Y255-E257 VanDerWaalsContact C-N 3.29Å; Y255-E257 PolarHBondContact O-N 3.2Å; E257-L259 HydrophobicContact CB-CG 4.36Å; E257-K271 IonicContact OE2-NZ 2.92Å; E257-K271 PolarHBondContact OE2-NZ 2.73Å
258	G	98	Very high	97.4	Very high	45 Å²	45	67.2 Å²	67.2	46%	0.464	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	1.3	178	0	0	0	0	0	114.6	W254 Y255 R256 R260	W254-G258 PolarHBondContact O-N 2.85Å; Y255-G258 PolarHBondContact O-N 3.31Å; R256-G258 PolarHBondContact O-N 3.39Å; G258-R260 VanDerWaalsContact C-NH1 3.35Å
259	L	98.3	Very high	97.1	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.073	31%	0.313	C	S	.	.			trans	-73.9	138.3	179.3	-45.6	-179.8	0	0	0	109.9	F240 W254 E257 D264 L265	F240-L259 HydrophobicContact CE2-CB 4.23Å; F240-L259 WeakPolarHBondContact CE2-O 3.29Å; F240-L259 HydrophobicContact CZ-CB 3.91Å; W254-L259 HydrophobicContact CB-CB 4.32Å; W254-L259 HydrophobicContact CB-CD1 3.96Å; W254-L259 HydrophobicContact CB-CG 4.48Å; W254-L259 HydrophobicContact CG-CD1 4.02Å; W254-L259 WeakPolarHBondContact O-CB 3.43Å; W254-L259 PolarHBondContact O-N 3.06Å; E257-L259 HydrophobicContact CB-CG 4.36Å; L259-D264 HydrophobicContact CB-CB 4.14Å; L259-D264 HydrophobicContact CD2-CB 3.92Å; L259-L265 HydrophobicContact CD1-CD2 3.7Å
260	R	98.2	Very high	96.9	Very high	64 Å²	64	63.7 Å²	63.7	24%	0.242	31%	0.305	C	S	.	.			trans	-131.1	-26.9	-177.5	-63.8	-61.4	179.5	-91.4	1.7	113.9	E232 T236 Y255 G258 D264	E232-R260 VanDerWaalsContact CD-NE 3.28Å; E232-R260 VanDerWaalsContact OE1-CD 3.24Å; E232-R260 WeakPolarHBondContact OE1-CD 3.34Å; E232-R260 IonicContact OE1-CZ 2.74Å; E232-R260 IonicContact OE1-NE 3.83Å; E232-R260 PolarHBondContact OE1-NE 3.14Å; E232-R260 IonicContact OE1-NH2 3.79Å; E232-R260 IonicContact OE2-NE 2.71Å; T236-R260 VanDerWaalsContact OG1-CD 3.3Å; T236-R260 WeakPolarHBondContact OG1-CD 3.32Å; Y255-R260 VanDerWaalsContact CE2-CZ 3.44Å; Y255-R260 PolarHBondContact O-NH1 3.4Å; G258-R260 VanDerWaalsContact C-NH1 3.35Å; R260-D264 PolarHBondContact N-OD2 3.19Å
261	T	98.2	Very high	96.6	Very high	58 Å²	58	67.3 Å²	67.3	36%	0.356	32%	0.319	S	S	.	.	S	Bend	trans	-119.1	165.2	-172.6	84.1	0	0	0	0	112.4	F240 D263 D264	F240-T261 WeakPolarHBondContact CE1-O 3.42Å; T261-D263 PolarHBondContact O-N 3.24Å; T261-D263 PolarHBondContact OG1-N 3.03Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 PolarHBondContact OG1-N 3.16Å; T261-D264 VanDerWaalsContact OG1-N 3.16Å; T261-D264 PolarHBondContact OG1-OD1 3.47Å
262	L	97	Very high	96.6	Very high	24 Å²	24	68.1 Å²	68.1	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-27.4	172.4	-59.7	-176.6	0	0	0	112.2	L239 I243 L265 R266 L280	L239-L262 HydrophobicContact CD1-CD1 4.28Å; L239-L262 HydrophobicContact CD1-CD2 3.95Å; L239-L262 HydrophobicContact CD1-CG 4.02Å; L239-L262 HydrophobicContact CD2-CD2 4.31Å; L239-L262 HydrophobicContact CD2-CG 4.32Å; L239-L262 HydrophobicContact CG-CD2 3.94Å; L239-L262 HydrophobicContact CG-CG 4.3Å; I243-L262 HydrophobicContact CD1-CD2 3.62Å; I243-L262 HydrophobicContact CG1-CD2 3.98Å; L262-L265 HydrophobicContact CD2-CD1 4.44Å; L262-L265 WeakPolarHBondContact O-CB 3.35Å; L262-L265 PolarHBondContact O-N 3.17Å; L262-R266 WeakPolarHBondContact O-CG 3.49Å; L262-R266 PolarHBondContact O-N 3.42Å; L262-R266 VanDerWaalsContact O-N 3.13Å; L262-L280 HydrophobicContact CB-CD2 4.4Å; L262-L280 HydrophobicContact CD2-CD2 4.06Å
263	D	97.3	Very high	96.5	Very high	89 Å²	89	70.3 Å²	70.3	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-72.5	-37.6	-179.9	-66.8	-32.6	0	0	0	111	T261 L265 R266 E267	T261-D263 PolarHBondContact O-N 3.24Å; T261-D263 PolarHBondContact OG1-N 3.03Å; D263-L265 PolarHBondContact O-N 3.12Å; D263-L265 VanDerWaalsContact O-N 3.12Å; D263-R266 WeakPolarHBondContact O-CA 3.35Å; D263-R266 WeakPolarHBondContact O-CB 3.34Å; D263-R266 PolarHBondContact O-N 2.67Å; D263-R266 IonicContact OD1-CZ 2.73Å; D263-R266 IonicContact OD1-NH1 3.79Å; D263-R266 PolarHBondContact OD1-NH1 2.96Å; D263-E267 WeakPolarHBondContact O-CG 3.4Å; D263-E267 PolarHBondContact O-N 3.22Å
264	D	97.3	Very high	96.4	Very high	39 Å²	39	71.1 Å²	71.1	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-55.1	-34.9	172.3	-47.5	-12	0	0	0	111.6	L259 R260 T261	L259-D264 HydrophobicContact CB-CB 4.14Å; L259-D264 HydrophobicContact CD2-CB 3.92Å; R260-D264 PolarHBondContact N-OD2 3.19Å; T261-D264 PolarHBondContact N-OD2 3.42Å; T261-D264 PolarHBondContact OG1-N 3.16Å; T261-D264 VanDerWaalsContact OG1-N 3.16Å; T261-D264 PolarHBondContact OG1-OD1 3.47Å
265	L	96.6	Very high	96.4	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-74.7	-38.1	175.8	-57	176.6	0	0	0	112	F240 I243 W254 L259 L262 D263 E267 Q268 L280	F240-L265 HydrophobicContact CD1-CD1 3.8Å; F240-L265 HydrophobicContact CE1-CD1 3.72Å; F240-L265 HydrophobicContact CE1-CD2 4.42Å; F240-L265 HydrophobicContact CE1-CG 4.08Å; F240-L265 HydrophobicContact CZ-CD2 4.44Å; I243-L265 HydrophobicContact CD1-CD1 3.46Å; I243-L265 VanDerWaalsContact CD1-CD1 3.46Å; W254-L265 HydrophobicContact CD2-CD2 3.56Å; W254-L265 HydrophobicContact CE3-CD1 3.94Å; W254-L265 HydrophobicContact CE3-CD2 3.55Å; W254-L265 HydrophobicContact CE3-CG 4.42Å; W254-L265 HydrophobicContact CG-CD2 4.02Å; W254-L265 HydrophobicContact CH2-CD1 4.18Å; W254-L265 HydrophobicContact CH2-CD2 4.16Å; W254-L265 HydrophobicContact CZ2-CD2 4.19Å; W254-L265 HydrophobicContact CZ3-CD1 3.61Å; W254-L265 HydrophobicContact CZ3-CD2 3.85Å; W254-L265 HydrophobicContact CZ3-CG 4.4Å; L259-L265 HydrophobicContact CD1-CD2 3.7Å; L262-L265 HydrophobicContact CD2-CD1 4.44Å; L262-L265 WeakPolarHBondContact O-CB 3.35Å; L262-L265 PolarHBondContact O-N 3.17Å; D263-L265 PolarHBondContact O-N 3.12Å; D263-L265 VanDerWaalsContact O-N 3.12Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.31Å; L265-Q268 PolarHBondContact O-N 2.95Å; L265-L280 HydrophobicContact CB-CD1 3.88Å; L265-L280 HydrophobicContact CB-CD2 4.44Å; L265-L280 HydrophobicContact CD1-CD1 4.36Å; L265-L280 HydrophobicContact CD1-CD2 4.14Å
266	R	95.3	Very high	96.3	Very high	115 Å²	115	71.4 Å²	71.4	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-67.7	-28.9	178.3	-71.7	178	-176.5	113.3	7.1	112.6	L262 D263 Q268 P269	L262-R266 WeakPolarHBondContact O-CG 3.49Å; L262-R266 PolarHBondContact O-N 3.42Å; L262-R266 VanDerWaalsContact O-N 3.13Å; D263-R266 WeakPolarHBondContact O-CA 3.35Å; D263-R266 WeakPolarHBondContact O-CB 3.34Å; D263-R266 PolarHBondContact O-N 2.67Å; D263-R266 IonicContact OD1-CZ 2.73Å; D263-R266 IonicContact OD1-NH1 3.79Å; D263-R266 PolarHBondContact OD1-NH1 2.96Å; R266-Q268 PolarHBondContact O-N 2.87Å; R266-P269 WeakPolarHBondContact O-CD 3.45Å
267	E	95.9	Very high	96.3	Very high	148 Å²	148	66.5 Å²	66.5	69%	0.692	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.8	175.2	-70.2	177.9	176.9	0	0	113.1	D263 L265 P269	D263-E267 WeakPolarHBondContact O-CG 3.4Å; D263-E267 PolarHBondContact O-N 3.22Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.31Å; E267-P269 WeakPolarHBondContact O-CD 3.36Å
268	Q	93.8	Very high	96.3	Very high	51 Å²	51	62.6 Å²	62.6	24%	0.238	32%	0.316	C	S	.	.			trans	-122.6	50.9	-179.5	-54.6	-175.5	22.2	0	0	112.9	L265 R266 Q270 K271	L265-Q268 PolarHBondContact O-N 2.95Å; R266-Q268 PolarHBondContact O-N 2.87Å; Q268-Q270 VanDerWaalsContact C-OE1 3.3Å; Q268-Q270 PolarHBondContact O-N 3.05Å; Q268-Q270 VanDerWaalsContact O-N 3.09Å; Q268-K271 HydrophobicContact CB-CD 4.36Å; Q268-K271 PolarHBondContact O-N 2.77Å; Q268-K271 VanDerWaalsContact OE1-CE 3.29Å
269	P	92.2	Very high	96.3	Very high	63 Å²	63	60.5 Å²	60.5	41%	0.409	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.2	-169.7	28.4	-36.2	0	0	0	113.9	R266 E267 K271 L272 K277	R266-P269 WeakPolarHBondContact O-CD 3.45Å; E267-P269 WeakPolarHBondContact O-CD 3.36Å; P269-K271 PolarHBondContact O-N 2.76Å; P269-L272 PolarHBondContact O-N 3.45Å; P269-K277 WeakPolarHBondContact O-CE 3.38Å; P269-K277 PolarHBondContact O-NZ 3.15Å
270	Q	92.7	Very high	96.3	Very high	145 Å²	145	60.1 Å²	60.1	68%	0.678	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.6	-24.2	176.1	67.3	-78.2	6.6	0	0	113.5	Q268 L272	Q268-Q270 VanDerWaalsContact C-OE1 3.3Å; Q268-Q270 PolarHBondContact O-N 3.05Å; Q268-Q270 VanDerWaalsContact O-N 3.09Å; Q270-L272 VanDerWaalsContact C-N 3.35Å
271	K	92.1	Very high	96.2	Very high	103 Å²	103	64.1 Å²	64.1	45%	0.448	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-85.4	-8.9	178.3	-66.9	-173.1	178.6	174.2	0	113.3	E257 Q268 P269	E257-K271 IonicContact OE2-NZ 2.92Å; E257-K271 PolarHBondContact OE2-NZ 2.73Å; Q268-K271 HydrophobicContact CB-CD 4.36Å; Q268-K271 PolarHBondContact O-N 2.77Å; Q268-K271 VanDerWaalsContact OE1-CE 3.29Å; P269-K271 PolarHBondContact O-N 2.76Å
272	L	96.6	Very high	96.1	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	30%	0.3	C	S	.	.	S	Bend	trans	-92.5	136.3	-173.5	-56.5	178	0	0	0	111.6	W254 P269 Q270 Q276 K277 L280	W254-L272 HydrophobicContact CH2-CD2 4.03Å; W254-L272 HydrophobicContact CZ2-CD2 3.64Å; P269-L272 PolarHBondContact O-N 3.45Å; Q270-L272 VanDerWaalsContact C-N 3.35Å; L272-Q276 HydrophobicContact CB-CB 4.23Å; L272-Q276 HydrophobicContact CD2-CB 4.43Å; L272-K277 HydrophobicContact CB-CG 3.74Å; L272-K277 HydrophobicContact CD1-CG 4.24Å; L272-K277 VanDerWaalsContact O-CE 3.32Å; L272-K277 WeakPolarHBondContact O-CE 3.43Å; L272-L280 HydrophobicContact CD1-CD1 3.43Å; L272-L280 VanDerWaalsContact CD1-CD1 3.43Å; L272-L280 HydrophobicContact CD2-CD1 4.18Å; L272-L280 HydrophobicContact CG-CD1 4.44Å
273	T	97.1	Very high	96.1	Very high	70 Å²	70	62.1 Å²	62.1	43%	0.429	30%	0.299	S	S	.	.			trans	-68.1	161.5	167.7	68.2	0	0	0	0	110.8	Q275 Q276 K277	T273-Q275 PolarHBondContact O-N 3.28Å; T273-Q276 PolarHBondContact O-N 3.24Å; T273-Q276 VanDerWaalsContact O-N 3.1Å; T273-Q276 VanDerWaalsContact OG1-CG 3.25Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.43Å; T273-Q276 PolarHBondContact OG1-N 3.42Å; T273-Q276 PolarHBondContact OG1-OE1 2.81Å; T273-K277 WeakPolarHBondContact O-CG 3.5Å; T273-K277 PolarHBondContact O-N 3.44Å
274	Q	96.4	Very high	96	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-34.9	176.9	-64.3	-62.2	-0.9	0	0	112.8	K277 A278	Q274-K277 PolarHBondContact O-N 3.47Å; Q274-A278 PolarHBondContact O-N 3.02Å
275	Q	96.9	Very high	96	Very high	41 Å²	41	66.3 Å²	66.3	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-45.7	174.1	-166.4	170.7	59.9	0	0	111.7	F244 G245 T273 A278 G279 Y362	F244-Q275 HydrophobicContact CD1-CG 3.87Å; F244-Q275 HydrophobicContact CE1-CG 3.5Å; F244-Q275 VanDerWaalsContact CE1-CG 3.5Å; F244-Q275 HydrophobicContact CE2-CG 4.3Å; F244-Q275 HydrophobicContact CG-CG 4.47Å; F244-Q275 HydrophobicContact CZ-CG 3.74Å; F244-Q275 VanDerWaalsContact CZ-NE2 3.34Å; G245-Q275 VanDerWaalsContact CA-OE1 3.23Å; T273-Q275 PolarHBondContact O-N 3.28Å; Q275-A278 PolarHBondContact O-N 2.91Å; Q275-G279 PolarHBondContact O-N 3.48Å; Q275-Y362 WeakPolarHBondContact CA-OH 3.24Å; Q275-Y362 HydrophobicContact CB-CE2 4.36Å; Q275-Y362 WeakPolarHBondContact CB-OH 3.48Å; Q275-Y362 HydrophobicContact CG-CE1 4.21Å; Q275-Y362 VanDerWaalsContact CG-OH 3.31Å; Q275-Y362 WeakPolarHBondContact CG-OH 3.39Å; Q275-Y362 PolarHBondContact NE2-OH 3.37Å
276	Q	97.8	Very high	96	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-37	179.1	-70.4	160.7	-8.6	0	0	112.1	G245 V246 L272 T273 G279 L280	G245-Q276 VanDerWaalsContact O-CG 3.29Å; G245-Q276 WeakPolarHBondContact O-CG 3.39Å; G245-Q276 PolarHBondContact O-NE2 3.27Å; V246-Q276 HydrophobicContact CG2-CG 3.84Å; L272-Q276 HydrophobicContact CB-CB 4.23Å; L272-Q276 HydrophobicContact CD2-CB 4.43Å; T273-Q276 PolarHBondContact O-N 3.24Å; T273-Q276 VanDerWaalsContact O-N 3.1Å; T273-Q276 VanDerWaalsContact OG1-CG 3.25Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.43Å; T273-Q276 PolarHBondContact OG1-N 3.42Å; T273-Q276 PolarHBondContact OG1-OE1 2.81Å; Q276-G279 PolarHBondContact O-N 2.68Å; Q276-L280 WeakPolarHBondContact O-CB 3.2Å; Q276-L280 PolarHBondContact O-N 2.84Å
277	K	98	Very high	96	Very high	72 Å²	72	64.7 Å²	64.7	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-49.4	172.7	-71.3	175.5	-179.7	178.7	0	110.9	P269 L272 T273 Q274 G279 L280 Q281	P269-K277 WeakPolarHBondContact O-CE 3.38Å; P269-K277 PolarHBondContact O-NZ 3.15Å; L272-K277 HydrophobicContact CB-CG 3.74Å; L272-K277 HydrophobicContact CD1-CG 4.24Å; L272-K277 VanDerWaalsContact O-CE 3.32Å; L272-K277 WeakPolarHBondContact O-CE 3.43Å; T273-K277 WeakPolarHBondContact O-CG 3.5Å; T273-K277 PolarHBondContact O-N 3.44Å; Q274-K277 PolarHBondContact O-N 3.47Å; K277-G279 VanDerWaalsContact C-N 3.35Å; K277-G279 PolarHBondContact O-N 2.75Å; K277-L280 PolarHBondContact O-N 2.84Å; K277-Q281 VanDerWaalsContact O-CB 3.24Å; K277-Q281 WeakPolarHBondContact O-CB 3.33Å; K277-Q281 PolarHBondContact O-N 3.31Å
278	A	97.5	Very high	95.9	Very high	8 Å²	8	61 Å²	61	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-41.9	176.6	0	0	0	0	0	112	Q274 Q275 L280 Q281 H282 Y362 I391	Q274-A278 PolarHBondContact O-N 3.02Å; Q275-A278 PolarHBondContact O-N 2.91Å; A278-L280 PolarHBondContact O-N 2.89Å; A278-Q281 PolarHBondContact O-N 2.85Å; A278-H282 PolarHBondContact O-CD2 2.98Å; A278-H282 PolarHBondContact O-N 2.82Å; A278-Y362 HydrophobicContact CB-CD2 3.56Å; A278-Y362 HydrophobicContact CB-CE2 4.25Å; A278-Y362 HydrophobicContact CB-CG 3.81Å; A278-I391 HydrophobicContact CB-CD1 3.93Å
279	G	97.4	Very high	96.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-42.2	175.5	0	0	0	0	0	113.4	Q275 Q276 K277 H283	Q275-G279 PolarHBondContact O-N 3.48Å; Q276-G279 PolarHBondContact O-N 2.68Å; K277-G279 VanDerWaalsContact C-N 3.35Å; K277-G279 PolarHBondContact O-N 2.75Å; G279-H283 VanDerWaalsContact O-CA 3.23Å; G279-H283 WeakPolarHBondContact O-CA 3.46Å; G279-H283 WeakPolarHBondContact O-CB 3.33Å; G279-H283 PolarHBondContact O-N 3.45Å
280	L	97.2	Very high	96.3	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-39.1	176.1	-83.1	166	0	0	0	112.9	I243 L262 L265 L272 Q276 K277 A278 H282 H283	I243-L280 HydrophobicContact CD1-CD2 3.8Å; I243-L280 HydrophobicContact CD1-CG 4.35Å; I243-L280 HydrophobicContact CG1-CD2 4.26Å; I243-L280 HydrophobicContact CG2-CD2 4.33Å; I243-L280 HydrophobicContact CG2-CG 3.93Å; L262-L280 HydrophobicContact CB-CD2 4.4Å; L262-L280 HydrophobicContact CD2-CD2 4.06Å; L265-L280 HydrophobicContact CB-CD1 3.88Å; L265-L280 HydrophobicContact CB-CD2 4.44Å; L265-L280 HydrophobicContact CD1-CD1 4.36Å; L265-L280 HydrophobicContact CD1-CD2 4.14Å; L272-L280 HydrophobicContact CD1-CD1 3.43Å; L272-L280 VanDerWaalsContact CD1-CD1 3.43Å; L272-L280 HydrophobicContact CD2-CD1 4.18Å; L272-L280 HydrophobicContact CG-CD1 4.44Å; Q276-L280 WeakPolarHBondContact O-CB 3.2Å; Q276-L280 PolarHBondContact O-N 2.84Å; K277-L280 PolarHBondContact O-N 2.84Å; A278-L280 PolarHBondContact O-N 2.89Å; L280-H282 VanDerWaalsContact C-N 3.33Å; L280-H282 PolarHBondContact O-N 3Å; L280-H283 PolarHBondContact O-N 3.29Å
281	Q	97.1	Very high	96.5	Very high	148 Å²	148	55.4 Å²	55.4	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-42	178	179.4	176.6	-7.3	0	0	111.3	K277 A278	K277-Q281 VanDerWaalsContact O-CB 3.24Å; K277-Q281 WeakPolarHBondContact O-CB 3.33Å; K277-Q281 PolarHBondContact O-N 3.31Å; A278-Q281 PolarHBondContact O-N 2.85Å
282	H	97	Very high	96.7	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.083	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10.3	-177.4	-61.2	-61.8	0	0	0	113.8	A278 L280 R284 D285 L286 A414	A278-H282 PolarHBondContact O-CD2 2.98Å; A278-H282 PolarHBondContact O-N 2.82Å; L280-H282 VanDerWaalsContact C-N 3.33Å; L280-H282 PolarHBondContact O-N 3Å; H282-R284 PolarHBondContact O-N 3.48Å; H282-R284 VanDerWaalsContact O-N 3.08Å; H282-D285 PolarHBondContact O-N 3.34Å; H282-L286 HydrophobicContact CB-CD1 4.2Å; H282-L286 HydrophobicContact CB-CG 4.06Å; H282-L286 WeakPolarHBondContact O-CG 3.38Å; H282-L286 PolarHBondContact O-N 2.86Å; H282-A414 HydrophobicContact CB-CB 3.75Å
283	H	96.4	Very high	96.6	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.102	29%	0.289	C	S	.	.	H	α-helix	trans	-50.7	-41.8	-172	-179.1	-86	0	0	0	113.6	G279 L280 L286 S287	G279-H283 VanDerWaalsContact O-CA 3.23Å; G279-H283 WeakPolarHBondContact O-CA 3.46Å; G279-H283 WeakPolarHBondContact O-CB 3.33Å; G279-H283 PolarHBondContact O-N 3.45Å; L280-H283 PolarHBondContact O-N 3.29Å; H283-L286 PolarHBondContact O-N 2.71Å; H283-S287 PolarHBondContact CE1-OG 3.42Å; H283-S287 PolarHBondContact ND1-OG 2.92Å; H283-S287 VanDerWaalsContact O-CB 3.27Å; H283-S287 WeakPolarHBondContact O-CB 3.21Å; H283-S287 PolarHBondContact O-N 3.09Å; H283-S287 PolarHBondContact O-OG 3.06Å
284	R	95.3	Very high	96.6	Very high	178 Å²	178	53.8 Å²	53.8	67%	0.672	27%	0.27	S	S	*	.	H	α-helix	trans	-59.7	-49.3	-179.3	-178.6	-177.5	174.4	-161.2	-6.8	111.9	H282 S287 T288	H282-R284 PolarHBondContact O-N 3.48Å; H282-R284 VanDerWaalsContact O-N 3.08Å; R284-S287 PolarHBondContact O-N 3.13Å; R284-T288 PolarHBondContact O-N 2.96Å; R284-T288 PolarHBondContact O-OG1 3.42Å; R284-T288 VanDerWaalsContact O-OG1 3.1Å
285	D	96.3	Very high	96.7	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-42.4	-179.4	-70.8	1.8	0	0	0	110.5	H282 S287 T288 K413 A414	H282-D285 PolarHBondContact O-N 3.34Å; D285-S287 PolarHBondContact O-N 2.81Å; D285-T288 WeakPolarHBondContact O-CA 3.35Å; D285-T288 VanDerWaalsContact O-CB 3.22Å; D285-T288 WeakPolarHBondContact O-CB 3.5Å; D285-T288 PolarHBondContact O-N 2.75Å; D285-K413 WeakPolarHBondContact OD2-CA 3.39Å; D285-A414 HydrophobicContact CB-CB 3.73Å; D285-A414 PolarHBondContact OD2-N 3.01Å
286	L	96.8	Very high	96.6	Very high	24 Å²	24	49.8 Å²	49.8	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-21.9	178	-62.3	-172	0	0	0	113.7	F244 H282 H283 T288 I391 A414 R416	F244-L286 HydrophobicContact CB-CD1 4.08Å; H282-L286 HydrophobicContact CB-CD1 4.2Å; H282-L286 HydrophobicContact CB-CG 4.06Å; H282-L286 WeakPolarHBondContact O-CG 3.38Å; H282-L286 PolarHBondContact O-N 2.86Å; H283-L286 PolarHBondContact O-N 2.71Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-I391 HydrophobicContact CD1-CD1 4.03Å; L286-I391 HydrophobicContact CD1-CG1 4.49Å; L286-I391 HydrophobicContact CD2-CG2 4.32Å; L286-A414 HydrophobicContact CD2-CB 4.18Å; L286-R416 HydrophobicContact CD1-CG 4.04Å; L286-R416 HydrophobicContact CD2-CB 4.39Å; L286-R416 HydrophobicContact CD2-CG 3.68Å; L286-R416 HydrophobicContact CG-CG 4.41Å
287	S	95.3	Very high	96.6	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.7	172	-59	0	0	0	0	112.7	H283 R284 D285	H283-S287 PolarHBondContact CE1-OG 3.42Å; H283-S287 PolarHBondContact ND1-OG 2.92Å; H283-S287 VanDerWaalsContact O-CB 3.27Å; H283-S287 WeakPolarHBondContact O-CB 3.21Å; H283-S287 PolarHBondContact O-N 3.09Å; H283-S287 PolarHBondContact O-OG 3.06Å; R284-S287 PolarHBondContact O-N 3.13Å; D285-S287 PolarHBondContact O-N 2.81Å
288	T	95.1	Very high	96.6	Very high	70 Å²	70	47.9 Å²	47.9	43%	0.429	25%	0.253	S	S	.	.	S	Bend	trans	-81.6	128.1	176.7	-56.3	0	0	0	0	108.8	R284 D285 L286 V290	R284-T288 PolarHBondContact O-N 2.96Å; R284-T288 PolarHBondContact O-OG1 3.42Å; R284-T288 VanDerWaalsContact O-OG1 3.1Å; D285-T288 WeakPolarHBondContact O-CA 3.35Å; D285-T288 VanDerWaalsContact O-CB 3.22Å; D285-T288 WeakPolarHBondContact O-CB 3.5Å; D285-T288 PolarHBondContact O-N 2.75Å; L286-T288 VanDerWaalsContact C-N 3.32Å; T288-V290 PolarHBondContact O-N 2.69Å
289	P	96.8	Very high	96.7	Very high	56 Å²	56	49.7 Å²	49.7	36%	0.364	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.3	-179.8	-24.5	33.3	0	0	0	112.2	Q327	P289-Q327 HydrophobicContact CB-CB 4Å; P289-Q327 HydrophobicContact CB-CG 4.46Å
290	V	97.1	Very high	96.7	Very high	5 Å²	5	56 Å²	56	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.4	169.9	-175.2	0	0	0	0	108	T288 D294 V295 F321 Q327 G328 V331 V415	T288-V290 PolarHBondContact O-N 2.69Å; V290-D294 HydrophobicContact CG1-CB 3.76Å; V290-V295 HydrophobicContact CG1-CG2 4.18Å; V290-F321 HydrophobicContact CB-CE2 4.4Å; V290-F321 HydrophobicContact CB-CZ 4.05Å; V290-F321 HydrophobicContact CG1-CE2 4.23Å; V290-F321 HydrophobicContact CG1-CZ 3.99Å; V290-F321 WeakPolarHBondContact O-CZ 2.94Å; V290-Q327 CarbonylContact O-C 3.6Å; V290-Q327 WeakPolarHBondContact O-CA 3.46Å; V290-G328 PolarHBondContact N-O 3.33Å; V290-G328 PolarHBondContact O-N 2.88Å; V290-V331 HydrophobicContact CG1-CG2 3.74Å; V290-V415 HydrophobicContact CG1-CG1 4.09Å; V290-V415 HydrophobicContact CG2-CG1 3.66Å
291	L	96.8	Very high	96.7	Very high	81 Å²	81	56.6 Å²	56.6	42%	0.424	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	165.9	-179.5	-55.9	180	0	0	0	111.1	S293 D294 V295 Q327	L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 3Å; L291-D294 WeakPolarHBondContact CB-OD2 3.37Å; L291-D294 PolarHBondContact N-OD2 2.78Å; L291-D294 VanDerWaalsContact O-CB 3.31Å; L291-D294 WeakPolarHBondContact O-CB 3.47Å; L291-D294 PolarHBondContact O-N 3.31Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 2.88Å; L291-V295 VanDerWaalsContact O-N 3.1Å; L291-Q327 HydrophobicContact CD2-CB 4.39Å
292	R	95.1	Very high	96.8	Very high	76 Å²	76	49.5 Å²	49.5	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-55.5	-41.4	176.2	-77.5	-70.1	-178.8	168.8	2.2	113.9	D294 V295 D296 F321 K325	R292-D294 PolarHBondContact O-N 3.11Å; R292-V295 WeakPolarHBondContact O-CA 3.26Å; R292-V295 WeakPolarHBondContact O-CB 3.22Å; R292-V295 PolarHBondContact O-N 3.42Å; R292-D296 VanDerWaalsContact O-CG 3.22Å; R292-D296 PolarHBondContact O-N 3.06Å; R292-F321 PolarHBondContact NH1-O 3.47Å; R292-F321 PolarHBondContact NH2-O 2.79Å; R292-K325 PolarHBondContact NE-O 3.01Å; R292-K325 VanDerWaalsContact NE-O 3.09Å; R292-K325 PolarHBondContact NH2-O 2.99Å
293	S	95.2	Very high	96.9	Very high	75 Å²	75	52.7 Å²	52.7	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-32	176	55.2	0	0	0	0	113	L291 A297	L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 3Å; S293-A297 PolarHBondContact O-N 3.25Å
294	D	96.9	Very high	96.9	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.032	29%	0.293	C	S	.	.	H	α-helix	trans	-72.6	-40.7	175.3	-53.8	-51.4	0	0	0	111	V290 L291 R292 D296 A297 L298 L394 K413	V290-D294 HydrophobicContact CG1-CB 3.76Å; L291-D294 WeakPolarHBondContact CB-OD2 3.37Å; L291-D294 PolarHBondContact N-OD2 2.78Å; L291-D294 VanDerWaalsContact O-CB 3.31Å; L291-D294 WeakPolarHBondContact O-CB 3.47Å; L291-D294 PolarHBondContact O-N 3.31Å; R292-D294 PolarHBondContact O-N 3.11Å; D294-D296 VanDerWaalsContact C-N 3.34Å; D294-A297 PolarHBondContact O-N 3.1Å; D294-L298 WeakPolarHBondContact O-CB 3.5Å; D294-L298 WeakPolarHBondContact O-CD1 3.5Å; D294-L298 WeakPolarHBondContact O-CG 3.45Å; D294-L298 PolarHBondContact O-N 2.84Å; D294-L394 HydrophobicContact CB-CD2 3.58Å; D294-K413 WeakPolarHBondContact OD1-CE 3.29Å; D294-K413 IonicContact OD1-NZ 3.45Å; D294-K413 PolarHBondContact OD1-NZ 2.91Å; D294-K413 WeakPolarHBondContact OD2-CE 3.35Å; D294-K413 IonicContact OD2-NZ 3.67Å; D294-K413 PolarHBondContact OD2-NZ 3.09Å
295	V	98.1	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-46.4	176.1	177.4	0	0	0	0	110.3	V290 L291 R292 A297 L298 Q299 L317 F321 V331	V290-V295 HydrophobicContact CG1-CG2 4.18Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 2.88Å; L291-V295 VanDerWaalsContact O-N 3.1Å; R292-V295 WeakPolarHBondContact O-CA 3.26Å; R292-V295 WeakPolarHBondContact O-CB 3.22Å; R292-V295 PolarHBondContact O-N 3.42Å; V295-A297 PolarHBondContact O-N 2.99Å; V295-L298 PolarHBondContact O-N 2.92Å; V295-Q299 VanDerWaalsContact O-CB 3.24Å; V295-Q299 WeakPolarHBondContact O-CB 3.49Å; V295-Q299 PolarHBondContact O-N 3.16Å; V295-L317 HydrophobicContact CG1-CD1 3.58Å; V295-L317 HydrophobicContact CG1-CD2 3.66Å; V295-L317 HydrophobicContact CG1-CG 4.26Å; V295-F321 HydrophobicContact CG2-CD1 3.8Å; V295-F321 HydrophobicContact CG2-CD2 3.63Å; V295-F321 HydrophobicContact CG2-CE1 3.64Å; V295-F321 HydrophobicContact CG2-CE2 3.45Å; V295-F321 VanDerWaalsContact CG2-CE2 3.45Å; V295-F321 HydrophobicContact CG2-CG 3.79Å; V295-F321 HydrophobicContact CG2-CZ 3.45Å; V295-F321 VanDerWaalsContact CG2-CZ 3.45Å; V295-V331 HydrophobicContact CG1-CG1 3.99Å; V295-V331 HydrophobicContact CG2-CG1 4.28Å; V295-V331 HydrophobicContact CG2-CG2 3.88Å
296	D	96.7	Very high	97.2	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-44.7	-179.3	-60	-26	0	0	0	111.1	R292 D294 Q299 Q300	R292-D296 VanDerWaalsContact O-CG 3.22Å; R292-D296 PolarHBondContact O-N 3.06Å; D294-D296 VanDerWaalsContact C-N 3.34Å; D296-Q299 PolarHBondContact O-N 3.08Å; D296-Q300 PolarHBondContact O-N 2.91Å
297	A	97	Very high	97.3	Very high	39 Å²	39	46.3 Å²	46.3	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-40.6	177	0	0	0	0	0	112.6	S293 D294 V295 A301 L394	S293-A297 PolarHBondContact O-N 3.25Å; D294-A297 PolarHBondContact O-N 3.1Å; V295-A297 PolarHBondContact O-N 2.99Å; A297-A301 PolarHBondContact O-N 2.77Å; A297-L394 HydrophobicContact CB-CD1 3.89Å
298	L	98.1	Very high	97.4	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-39.7	175.8	-72.6	166.2	0	0	0	111.7	D294 V295 Q300 A301 V302 V331 F333 F392 L394 V415 V417	D294-L298 WeakPolarHBondContact O-CB 3.5Å; D294-L298 WeakPolarHBondContact O-CD1 3.5Å; D294-L298 WeakPolarHBondContact O-CG 3.45Å; D294-L298 PolarHBondContact O-N 2.84Å; V295-L298 PolarHBondContact O-N 2.92Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; L298-A301 PolarHBondContact O-N 2.91Å; L298-V302 WeakPolarHBondContact O-CB 3.47Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.29Å; L298-V302 PolarHBondContact O-N 3.23Å; L298-V331 HydrophobicContact CD1-CB 4.47Å; L298-V331 HydrophobicContact CD1-CG2 3.77Å; L298-F333 HydrophobicContact CB-CE2 4.31Å; L298-F333 HydrophobicContact CB-CZ 4.41Å; L298-F392 HydrophobicContact CD2-CB 3.88Å; L298-F392 HydrophobicContact CD2-CD1 3.62Å; L298-F392 HydrophobicContact CD2-CE1 4.41Å; L298-F392 HydrophobicContact CD2-CG 3.99Å; L298-L394 HydrophobicContact CD1-CD2 4.37Å; L298-L394 HydrophobicContact CD2-CB 4.48Å; L298-L394 HydrophobicContact CD2-CD1 4.06Å; L298-L394 HydrophobicContact CG-CD1 4.09Å; L298-L394 HydrophobicContact CG-CD2 4.27Å; L298-V415 HydrophobicContact CD1-CB 4.01Å; L298-V415 HydrophobicContact CD1-CG1 3.55Å; L298-V415 HydrophobicContact CD1-CG2 4.44Å; L298-V417 HydrophobicContact CD1-CG2 3.93Å; L298-V417 HydrophobicContact CD2-CG2 4.04Å; L298-V417 HydrophobicContact CG-CG2 4.49Å
299	Q	98.4	Very high	97.5	Very high	46 Å²	46	44.6 Å²	44.6	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-45.8	177.6	-178.2	166.8	-14.6	0	0	110.4	V295 D296 A301 V302 E303 F333	V295-Q299 VanDerWaalsContact O-CB 3.24Å; V295-Q299 WeakPolarHBondContact O-CB 3.49Å; V295-Q299 PolarHBondContact O-N 3.16Å; D296-Q299 PolarHBondContact O-N 3.08Å; Q299-A301 PolarHBondContact O-N 3.07Å; Q299-V302 PolarHBondContact O-N 3.12Å; Q299-E303 HydrophobicContact CG-CG 4.23Å; Q299-E303 VanDerWaalsContact CG-OE1 3.31Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.29Å; Q299-E303 PolarHBondContact NE2-OE1 2.84Å; Q299-E303 VanDerWaalsContact O-CB 3.32Å; Q299-E303 WeakPolarHBondContact O-CB 3.44Å; Q299-E303 VanDerWaalsContact O-CG 3.3Å; Q299-E303 WeakPolarHBondContact O-CG 3.37Å; Q299-E303 PolarHBondContact O-N 3.1Å; Q299-F333 VanDerWaalsContact CA-CZ 3.48Å; Q299-F333 HydrophobicContact CB-CE1 3.7Å; Q299-F333 HydrophobicContact CB-CZ 3.69Å; Q299-F333 HydrophobicContact CG-CE1 3.85Å; Q299-F333 HydrophobicContact CG-CZ 4.33Å
300	Q	98	Very high	97.6	Very high	133 Å²	133	42.7 Å²	42.7	62%	0.621	23%	0.23	S	C	*	.	H	α-helix	trans	-58.2	-47.1	175.6	-174.9	179.2	3.6	0	0	112	D296 L298 V302 E303 E304	D296-Q300 PolarHBondContact O-N 2.91Å; L298-Q300 VanDerWaalsContact C-N 3.35Å; Q300-V302 PolarHBondContact O-N 2.86Å; Q300-E303 PolarHBondContact O-N 2.89Å; Q300-E304 WeakPolarHBondContact O-CB 3.41Å; Q300-E304 PolarHBondContact O-N 2.95Å
301	A	97.8	Very high	97.7	Very high	18 Å²	18	47.2 Å²	47.2	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-40.3	179.2	0	0	0	0	0	112.5	A297 L298 Q299 A305 L359	A297-A301 PolarHBondContact O-N 2.77Å; L298-A301 PolarHBondContact O-N 2.91Å; Q299-A301 PolarHBondContact O-N 3.07Å; A301-A305 WeakPolarHBondContact O-CB 3.43Å; A301-A305 PolarHBondContact O-N 2.97Å; A301-A305 VanDerWaalsContact O-N 3.1Å; A301-L359 HydrophobicContact CB-CD1 4.2Å
302	V	98.5	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-43.6	177.4	173.1	0	0	0	0	111	L298 Q299 Q300 E304 A305 V306 V315 F333 F392 L419	L298-V302 WeakPolarHBondContact O-CB 3.47Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.29Å; L298-V302 PolarHBondContact O-N 3.23Å; Q299-V302 PolarHBondContact O-N 3.12Å; Q300-V302 PolarHBondContact O-N 2.86Å; V302-E304 PolarHBondContact O-N 2.94Å; V302-A305 PolarHBondContact O-N 2.68Å; V302-V306 HydrophobicContact CG1-CG2 4.1Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.27Å; V302-V306 WeakPolarHBondContact O-CG2 3.49Å; V302-V306 PolarHBondContact O-N 3.41Å; V302-V315 HydrophobicContact CG1-CG1 3.91Å; V302-V315 HydrophobicContact CG1-CG2 4.25Å; V302-F333 HydrophobicContact CB-CD2 4.4Å; V302-F333 HydrophobicContact CB-CE2 4.45Å; V302-F333 HydrophobicContact CG1-CD2 4.3Å; V302-F333 HydrophobicContact CG1-CG 4.46Å; V302-F333 HydrophobicContact CG2-CD2 4.01Å; V302-F333 HydrophobicContact CG2-CE2 3.98Å; V302-F392 HydrophobicContact CG2-CE1 4.06Å; V302-F392 HydrophobicContact CG2-CZ 4.08Å; V302-L419 HydrophobicContact CG1-CD2 3.97Å; V302-L419 HydrophobicContact CG2-CD2 4.11Å
303	E	98.7	Very high	97.9	Very high	84 Å²	84	43 Å²	43	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.4	-77.9	173.7	179	0	0	112	Q299 Q300 V306 G307 V315	Q299-E303 HydrophobicContact CG-CG 4.23Å; Q299-E303 VanDerWaalsContact CG-OE1 3.31Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.29Å; Q299-E303 PolarHBondContact NE2-OE1 2.84Å; Q299-E303 VanDerWaalsContact O-CB 3.32Å; Q299-E303 WeakPolarHBondContact O-CB 3.44Å; Q299-E303 VanDerWaalsContact O-CG 3.3Å; Q299-E303 WeakPolarHBondContact O-CG 3.37Å; Q299-E303 PolarHBondContact O-N 3.1Å; Q300-E303 PolarHBondContact O-N 2.89Å; E303-V306 PolarHBondContact O-N 2.9Å; E303-G307 PolarHBondContact O-N 3.26Å; E303-V315 HydrophobicContact CG-CB 3.77Å; E303-V315 HydrophobicContact CG-CG1 4.42Å; E303-V315 HydrophobicContact CG-CG2 3.84Å
304	E	98.3	Very high	98	Very high	94 Å²	94	42.6 Å²	42.6	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-50	175.6	-172.3	-174.5	157.3	0	0	111.4	Q300 V302 V306 G307 Q308	Q300-E304 WeakPolarHBondContact O-CB 3.41Å; Q300-E304 PolarHBondContact O-N 2.95Å; V302-E304 PolarHBondContact O-N 2.94Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 2.86Å; E304-G307 PolarHBondContact O-N 3.34Å; E304-Q308 WeakPolarHBondContact O-CG 3.27Å; E304-Q308 PolarHBondContact O-N 3.24Å; E304-Q308 PolarHBondContact OE1-NE2 2.98Å; E304-Q308 VanDerWaalsContact OE1-NE2 3.12Å
305	A	98.5	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-38.3	179.8	0	0	0	0	0	112.5	A301 V302 A309 V350 H353 L354	A301-A305 WeakPolarHBondContact O-CB 3.43Å; A301-A305 PolarHBondContact O-N 2.97Å; A301-A305 VanDerWaalsContact O-N 3.1Å; V302-A305 PolarHBondContact O-N 2.68Å; A305-A309 VanDerWaalsContact O-CB 3.28Å; A305-A309 WeakPolarHBondContact O-CB 3.27Å; A305-A309 PolarHBondContact O-N 3.25Å; A305-V350 HydrophobicContact CB-CG1 4.11Å; A305-H353 HydrophobicContact CB-CB 4.17Å; A305-L354 HydrophobicContact CB-CD1 4.4Å; A305-L354 HydrophobicContact CB-CD2 3.66Å; A305-L354 HydrophobicContact CB-CG 3.73Å
306	V	98.6	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-43.7	174.8	168.5	0	0	0	0	110.9	V302 E303 E304 Q308 A309 L310 A313 V315 I335 V350	V302-V306 HydrophobicContact CG1-CG2 4.1Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.27Å; V302-V306 WeakPolarHBondContact O-CG2 3.49Å; V302-V306 PolarHBondContact O-N 3.41Å; E303-V306 PolarHBondContact O-N 2.9Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 2.86Å; V306-Q308 PolarHBondContact O-N 3.04Å; V306-A309 PolarHBondContact O-N 3.1Å; V306-L310 PolarHBondContact O-N 3.24Å; V306-A313 HydrophobicContact CG1-CB 3.58Å; V306-V315 HydrophobicContact CB-CG2 3.86Å; V306-V315 HydrophobicContact CG1-CG2 3.89Å; V306-V315 HydrophobicContact CG2-CG2 3.85Å; V306-I335 HydrophobicContact CG1-CG2 3.97Å; V306-I335 HydrophobicContact CG2-CD1 3.78Å; V306-I335 HydrophobicContact CG2-CG1 4.35Å; V306-I335 HydrophobicContact CG2-CG2 4.36Å; V306-V350 HydrophobicContact CG2-CG1 4.07Å; V306-V350 HydrophobicContact CG2-CG2 3.87Å
307	G	98.3	Very high	98.3	Very high	34 Å²	34	41.7 Å²	41.7	35%	0.351	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-37.8	177.9	0	0	0	0	0	113.2	E303 E304	E303-G307 PolarHBondContact O-N 3.26Å; E304-G307 PolarHBondContact O-N 3.34Å
308	Q	97.7	Very high	98.3	Very high	91 Å²	91	39.8 Å²	39.8	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-40.7	173	-70	177.2	18.5	0	0	112	E304 V306 H353	E304-Q308 WeakPolarHBondContact O-CG 3.27Å; E304-Q308 PolarHBondContact O-N 3.24Å; E304-Q308 PolarHBondContact OE1-NE2 2.98Å; E304-Q308 VanDerWaalsContact OE1-NE2 3.12Å; V306-Q308 PolarHBondContact O-N 3.04Å; Q308-H353 PolarHBondContact OE1-ND1 3.4Å
309	A	98.1	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-72.1	-39.4	-179.9	0	0	0	0	0	112.6	A305 V306 L346 R349 V350	A305-A309 VanDerWaalsContact O-CB 3.28Å; A305-A309 WeakPolarHBondContact O-CB 3.27Å; A305-A309 PolarHBondContact O-N 3.25Å; V306-A309 PolarHBondContact O-N 3.1Å; A309-L346 HydrophobicContact CB-CD1 3.8Å; A309-R349 HydrophobicContact CB-CB 3.93Å; A309-R349 PolarHBondContact O-NE 3.39Å; A309-R349 PolarHBondContact O-NH1 2.94Å; A309-R349 PolarHBondContact O-NH2 3.47Å; A309-V350 HydrophobicContact CB-CG2 3.63Å
310	L	98.1	Very high	98.3	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.089	23%	0.231	C	C	.	.	S	Bend	trans	-151.1	95.2	-177.8	-178.5	61.5	0	0	0	110.7	V306 G312 A313 H337 Q342 L346	V306-L310 PolarHBondContact O-N 3.24Å; L310-G312 PolarHBondContact O-N 3.27Å; L310-A313 HydrophobicContact CB-CB 4.12Å; L310-A313 HydrophobicContact CD2-CB 4.05Å; L310-A313 HydrophobicContact CG-CB 4.06Å; L310-A313 VanDerWaalsContact O-CB 3.26Å; L310-A313 WeakPolarHBondContact O-CB 3.47Å; L310-A313 PolarHBondContact O-N 3.44Å; L310-H337 HydrophobicContact CD2-CB 4.05Å; L310-Q342 VanDerWaalsContact CD2-O 3.23Å; L310-Q342 WeakPolarHBondContact CD2-O 3.08Å; L310-L346 HydrophobicContact CB-CD1 3.51Å; L310-L346 HydrophobicContact CD2-CD1 4.12Å; L310-L346 HydrophobicContact CD2-CD2 4.16Å; L310-L346 HydrophobicContact CG-CD1 4.48Å
311	P	98.2	Very high	98.3	Very high	100 Å²	100	32.2 Å²	32.2	65%	0.649	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	130	175.6	-27.2	35.5	0	0	0	111.9
312	G	97.8	Very high	98.4	Very high	49 Å²	49	33.9 Å²	33.9	51%	0.505	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-7.4	-177.4	0	0	0	0	0	114.8	L310 P338	L310-G312 PolarHBondContact O-N 3.27Å; G312-P338 WeakPolarHBondContact O-CD 3.27Å
313	A	98.6	Very high	98.4	Very high	18 Å²	18	35.1 Å²	35.1	15%	0.149	21%	0.209	C	C	.	.			trans	-68.7	149.4	168.6	0	0	0	0	0	111	V306 L310 T336 L346	V306-A313 HydrophobicContact CG1-CB 3.58Å; L310-A313 HydrophobicContact CB-CB 4.12Å; L310-A313 HydrophobicContact CD2-CB 4.05Å; L310-A313 HydrophobicContact CG-CB 4.06Å; L310-A313 VanDerWaalsContact O-CB 3.26Å; L310-A313 WeakPolarHBondContact O-CB 3.47Å; L310-A313 PolarHBondContact O-N 3.44Å; A313-T336 CarbonylContact C-O 3.55Å; A313-T336 VanDerWaalsContact CA-O 3.27Å; A313-T336 WeakPolarHBondContact CA-O 3.49Å; A313-T336 WeakPolarHBondContact CB-O 3.26Å; A313-L346 HydrophobicContact CB-CD2 4.46Å
314	T	98.6	Very high	98.3	Very high	68 Å²	68	32.2 Å²	32.2	42%	0.417	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.8	-178.4	57.2	0	0	0	0	110.5	I335 T336	T314-I335 WeakPolarHBondContact O-CA 3.31Å; T314-T336 PolarHBondContact N-O 3.19Å; T314-T336 PolarHBondContact O-N 2.89Å; T314-T336 VanDerWaalsContact O-N 3.1Å; T314-T336 WeakPolarHBondContact OG1-CG2 3.4Å
315	V	98.8	Very high	98.3	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.109	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.1	175.1	-172	0	0	0	0	108.5	V302 E303 V306 F333 L334 I335	V302-V315 HydrophobicContact CG1-CG1 3.91Å; V302-V315 HydrophobicContact CG1-CG2 4.25Å; E303-V315 HydrophobicContact CG-CB 3.77Å; E303-V315 HydrophobicContact CG-CG1 4.42Å; E303-V315 HydrophobicContact CG-CG2 3.84Å; V306-V315 HydrophobicContact CB-CG2 3.86Å; V306-V315 HydrophobicContact CG1-CG2 3.89Å; V306-V315 HydrophobicContact CG2-CG2 3.85Å; V315-F333 HydrophobicContact CG1-CB 3.89Å; V315-F333 HydrophobicContact CG1-CD1 3.72Å; V315-F333 HydrophobicContact CG1-CG 3.97Å; V315-L334 CarbonylContact C-O 3.53Å; V315-I335 HydrophobicContact CG1-CG1 4.36Å; V315-I335 HydrophobicContact CG2-CG1 4.3Å
316	T	98.8	Very high	98.2	Very high	38 Å²	38	37.5 Å²	37.5	23%	0.233	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.1	177.9	-62.8	0	0	0	0	109.5	T318 L334 F427 L431	T316-T318 PolarHBondContact O-N 2.67Å; T316-L334 PolarHBondContact N-O 3.06Å; T316-L334 PolarHBondContact O-N 3.05Å; T316-F427 HydrophobicContact CG2-CZ 4.46Å; T316-L431 HydrophobicContact CG2-CD1 3.83Å
317	L	98.8	Very high	98.1	Very high	24 Å²	24	43 Å²	43	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.3	169.8	179	65.7	0	0	0	110	V295 F321 R322 V331 F333	V295-L317 HydrophobicContact CG1-CD1 3.58Å; V295-L317 HydrophobicContact CG1-CD2 3.66Å; V295-L317 HydrophobicContact CG1-CG 4.26Å; L317-F321 HydrophobicContact CD1-CB 4.15Å; L317-F321 HydrophobicContact CD2-CB 3.88Å; L317-F321 HydrophobicContact CG-CB 4.2Å; L317-R322 WeakPolarHBondContact O-CD 3.47Å; L317-V331 HydrophobicContact CD1-CG1 3.72Å; L317-F333 HydrophobicContact CB-CD1 4.44Å; L317-F333 HydrophobicContact CB-CE1 4.24Å; L317-F333 HydrophobicContact CD1-CD1 4.31Å; L317-F333 HydrophobicContact CD1-CE1 3.83Å; L317-F333 HydrophobicContact CD1-CZ 4.42Å
318	T	98.5	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.			trans	-127.3	-157.8	-177.4	162.7	0	0	0	0	110	T316 R322 D332 L334 W434 T435	T316-T318 PolarHBondContact O-N 2.67Å; T318-R322 PolarHBondContact O-N 2.92Å; T318-D332 HydrophobicContact CG2-CB 3.78Å; T318-D332 WeakPolarHBondContact CG2-O 3.5Å; T318-D332 PolarHBondContact N-O 3.26Å; T318-L334 HydrophobicContact CG2-CB 3.91Å; T318-W434 HydrophobicContact CG2-CB 4.18Å; T318-W434 WeakPolarHBondContact OG1-CB 3.38Å; T318-W434 PolarHBondContact OG1-O 3.33Å; T318-W434 VanDerWaalsContact OG1-O 3.04Å; T318-T435 PolarHBondContact OG1-N 3.26Å
319	G	98.1	Very high	97.8	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	66.3	-150.6	171.9	0	0	0	0	0	114.5	F321 R322 R323 D332 W434	G319-F321 VanDerWaalsContact C-N 3.3Å; G319-F321 PolarHBondContact O-N 3.09Å; G319-R322 PolarHBondContact O-N 2.78Å; G319-R323 PolarHBondContact O-N 2.7Å; G319-R323 PolarHBondContact O-NH1 3.27Å; G319-D332 WeakPolarHBondContact CA-OD2 3.31Å; G319-W434 VanDerWaalsContact CA-O 3.29Å; G319-W434 WeakPolarHBondContact CA-O 3.47Å; G319-W434 PolarHBondContact N-O 3.48Å; G319-W434 VanDerWaalsContact N-O 3.14Å
320	G	98	Very high	97.7	Very high	15 Å²	15	47.1 Å²	47.1	16%	0.155	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-38	-178.1	0	0	0	0	0	113.7	R323 K325	G320-R323 PolarHBondContact O-N 3.34Å; G320-K325 VanDerWaalsContact O-CB 3.27Å; G320-K325 WeakPolarHBondContact O-CB 3.2Å; G320-K325 WeakPolarHBondContact O-CG 3.26Å; G320-K325 PolarHBondContact O-N 3.39Å; G320-K325 VanDerWaalsContact O-N 3.11Å
321	F	98.5	Very high	97.7	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-71	-36.8	-179	-68.9	-74.4	0	0	0	112.1	V290 R292 V295 L317 G319 R323 G324 K325 D330 V331	V290-F321 HydrophobicContact CB-CE2 4.4Å; V290-F321 HydrophobicContact CB-CZ 4.05Å; V290-F321 HydrophobicContact CG1-CE2 4.23Å; V290-F321 HydrophobicContact CG1-CZ 3.99Å; V290-F321 WeakPolarHBondContact O-CZ 2.94Å; R292-F321 PolarHBondContact NH1-O 3.47Å; R292-F321 PolarHBondContact NH2-O 2.79Å; V295-F321 HydrophobicContact CG2-CD1 3.8Å; V295-F321 HydrophobicContact CG2-CD2 3.63Å; V295-F321 HydrophobicContact CG2-CE1 3.64Å; V295-F321 HydrophobicContact CG2-CE2 3.45Å; V295-F321 VanDerWaalsContact CG2-CE2 3.45Å; V295-F321 HydrophobicContact CG2-CG 3.79Å; V295-F321 HydrophobicContact CG2-CZ 3.45Å; V295-F321 VanDerWaalsContact CG2-CZ 3.45Å; L317-F321 HydrophobicContact CD1-CB 4.15Å; L317-F321 HydrophobicContact CD2-CB 3.88Å; L317-F321 HydrophobicContact CG-CB 4.2Å; G319-F321 VanDerWaalsContact C-N 3.3Å; G319-F321 PolarHBondContact O-N 3.09Å; F321-R323 PolarHBondContact O-N 2.64Å; F321-G324 PolarHBondContact O-N 3.11Å; F321-K325 VanDerWaalsContact CD1-O 3.32Å; F321-K325 WeakPolarHBondContact CD1-O 3Å; F321-D330 VanDerWaalsContact CE2-O 3.29Å; F321-D330 WeakPolarHBondContact CE2-O 3.49Å; F321-V331 HydrophobicContact CE2-CG2 4.21Å
322	R	98.6	Very high	97.7	Very high	53 Å²	53	42.3 Å²	42.3	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-29.1	171.1	-171.6	176.1	178.5	-108.9	-2.9	112.6	L317 T318 G319 G324 T435 E475 P489	L317-R322 WeakPolarHBondContact O-CD 3.47Å; T318-R322 PolarHBondContact O-N 2.92Å; G319-R322 PolarHBondContact O-N 2.78Å; R322-G324 PolarHBondContact O-N 3.41Å; R322-T435 WeakPolarHBondContact CD-OG1 3.45Å; R322-T435 HydrophobicContact CG-CG2 4.4Å; R322-T435 PolarHBondContact NH1-OG1 3.14Å; R322-E475 IonicContact CZ-OE1 2.94Å; R322-E475 IonicContact CZ-OE2 3.8Å; R322-E475 VanDerWaalsContact NH1-CD 3.33Å; R322-E475 IonicContact NH1-OE1 3.63Å; R322-E475 PolarHBondContact NH1-OE1 3.05Å; R322-E475 IonicContact NH1-OE2 3.98Å; R322-E475 PolarHBondContact NH1-OE2 3.28Å; R322-E475 VanDerWaalsContact NH1-OE2 3.16Å; R322-E475 IonicContact NH2-OE1 3.21Å; R322-E475 IonicContact NH2-OE2 2.75Å; R322-E475 PolarHBondContact NH2-OE2 2.76Å; R322-P489 HydrophobicContact CG-CB 4.12Å; R322-P489 HydrophobicContact CG-CG 4.3Å; R322-P489 WeakPolarHBondContact O-CB 3.41Å
323	R	98.5	Very high	97.8	Very high	27 Å²	27	40 Å²	40	10%	0.102	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	12.6	174.5	-54.9	-165.9	-52.2	-80.8	-0.4	114.6	G319 G320 F321 T435 P489 N493	G319-R323 PolarHBondContact O-N 2.7Å; G319-R323 PolarHBondContact O-NH1 3.27Å; G320-R323 PolarHBondContact O-N 3.34Å; F321-R323 PolarHBondContact O-N 2.64Å; R323-T435 WeakPolarHBondContact CD-O 3.19Å; R323-T435 HydrophobicContact CG-CG2 3.83Å; R323-T435 WeakPolarHBondContact CG-O 3.32Å; R323-T435 PolarHBondContact NH1-O 2.98Å; R323-P489 WeakPolarHBondContact CB-O 3.3Å; R323-P489 WeakPolarHBondContact CG-O 3.24Å; R323-N493 WeakPolarHBondContact CB-OD1 3.27Å; R323-N493 PolarHBondContact NE-OD1 3Å; R323-N493 PolarHBondContact O-ND2 3.36Å
324	G	97.9	Very high	97.8	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	4.1	175.6	0	0	0	0	0	115.6	L149 F321 R322 L326	L149-G324 VanDerWaalsContact CD2-O 3.29Å; L149-G324 WeakPolarHBondContact CD2-O 3.27Å; F321-G324 PolarHBondContact O-N 3.11Å; R322-G324 PolarHBondContact O-N 3.41Å; G324-L326 PolarHBondContact O-N 3.34Å
325	K	97.6	Very high	97.8	Very high	74 Å²	74	35.9 Å²	35.9	32%	0.322	19%	0.188	S	C	.	.			trans	-57.1	139.8	176	-72.5	-167.8	169.5	-168.2	0	111.1	L149 R292 G320 F321	L149-K325 HydrophobicContact CD1-CG 3.78Å; R292-K325 PolarHBondContact NE-O 3.01Å; R292-K325 VanDerWaalsContact NE-O 3.09Å; R292-K325 PolarHBondContact NH2-O 2.99Å; G320-K325 VanDerWaalsContact O-CB 3.27Å; G320-K325 WeakPolarHBondContact O-CB 3.2Å; G320-K325 WeakPolarHBondContact O-CG 3.26Å; G320-K325 PolarHBondContact O-N 3.39Å; G320-K325 VanDerWaalsContact O-N 3.11Å; F321-K325 VanDerWaalsContact CD1-O 3.32Å; F321-K325 WeakPolarHBondContact CD1-O 3Å
326	L	96.4	Very high	97.8	Very high	131 Å²	131	35.1 Å²	35.1	69%	0.686	18%	0.183	S	C	*	.	S	Bend	trans	-85.7	-24.3	174.8	-60.3	-179.6	0	0	0	112	G324	G324-L326 PolarHBondContact O-N 3.34Å
327	Q	96.7	Very high	97.8	Very high	117 Å²	117	34 Å²	34	55%	0.547	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.5	177	67.5	-175.1	38.3	0	0	111.9	P289 V290 L291	P289-Q327 HydrophobicContact CB-CB 4Å; P289-Q327 HydrophobicContact CB-CG 4.46Å; V290-Q327 CarbonylContact O-C 3.6Å; V290-Q327 WeakPolarHBondContact O-CA 3.46Å; L291-Q327 HydrophobicContact CD2-CB 4.39Å
328	G	94.8	Very high	97.7	Very high	13 Å²	13	36.9 Å²	36.9	13%	0.134	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	175.7	-177.3	0	0	0	0	0	113	V290	V290-G328 PolarHBondContact N-O 3.33Å; V290-G328 PolarHBondContact O-N 2.88Å
329	H	93.7	Very high	97.7	Very high	146 Å²	146	43.9 Å²	43.9	68%	0.676	23%	0.226	S	C	*	.	S	Bend	trans	-92	-29.2	173.6	-63.4	-66.9	0	0	0	111.8
330	D	97.1	Very high	97.6	Very high	51 Å²	51	48.6 Å²	48.6	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170.2	-175.2	49.1	5.1	0	0	0	110.5	F321 R416	F321-D330 VanDerWaalsContact CE2-O 3.29Å; F321-D330 WeakPolarHBondContact CE2-O 3.49Å; D330-R416 CarbonylContact C-O 3.55Å; D330-R416 VanDerWaalsContact CA-O 3.29Å; D330-R416 WeakPolarHBondContact CA-O 3.29Å; D330-R416 HydrophobicContact CB-CB 3.63Å
331	V	98.5	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.6	175.4	-168.3	0	0	0	0	109.4	V290 V295 L298 L317 F321 F333 V415 R416 V417 D418	V290-V331 HydrophobicContact CG1-CG2 3.74Å; V295-V331 HydrophobicContact CG1-CG1 3.99Å; V295-V331 HydrophobicContact CG2-CG1 4.28Å; V295-V331 HydrophobicContact CG2-CG2 3.88Å; L298-V331 HydrophobicContact CD1-CB 4.47Å; L298-V331 HydrophobicContact CD1-CG2 3.77Å; L317-V331 HydrophobicContact CD1-CG1 3.72Å; F321-V331 HydrophobicContact CE2-CG2 4.21Å; V331-F333 HydrophobicContact CB-CE2 4.27Å; V331-F333 HydrophobicContact CG1-CD2 4.24Å; V331-F333 HydrophobicContact CG1-CE1 4.07Å; V331-F333 HydrophobicContact CG1-CE2 3.51Å; V331-F333 HydrophobicContact CG1-CZ 3.41Å; V331-F333 VanDerWaalsContact CG1-CZ 3.41Å; V331-V415 HydrophobicContact CG2-CG1 4.31Å; V331-R416 PolarHBondContact N-O 3.49Å; V331-V417 HydrophobicContact CB-CG2 4.48Å; V331-V417 CarbonylContact O-C 3.58Å; V331-V417 VanDerWaalsContact O-CA 3.26Å; V331-V417 WeakPolarHBondContact O-CA 3.32Å; V331-D418 PolarHBondContact O-N 3.01Å
332	D	98.6	Very high	97.4	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	-179.9	-53.6	-74.7	0	0	0	110.3	T318 G319 W434	T318-D332 HydrophobicContact CG2-CB 3.78Å; T318-D332 WeakPolarHBondContact CG2-O 3.5Å; T318-D332 PolarHBondContact N-O 3.26Å; G319-D332 WeakPolarHBondContact CA-OD2 3.31Å; D332-W434 HydrophobicContact CB-CE3 4.25Å
333	F	98.9	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.2	173.8	-64.9	-66.7	0	0	0	111.4	L298 Q299 V302 V315 L317 V331 V417 D418 L419 V420	L298-F333 HydrophobicContact CB-CE2 4.31Å; L298-F333 HydrophobicContact CB-CZ 4.41Å; Q299-F333 VanDerWaalsContact CA-CZ 3.48Å; Q299-F333 HydrophobicContact CB-CE1 3.7Å; Q299-F333 HydrophobicContact CB-CZ 3.69Å; Q299-F333 HydrophobicContact CG-CE1 3.85Å; Q299-F333 HydrophobicContact CG-CZ 4.33Å; V302-F333 HydrophobicContact CB-CD2 4.4Å; V302-F333 HydrophobicContact CB-CE2 4.45Å; V302-F333 HydrophobicContact CG1-CD2 4.3Å; V302-F333 HydrophobicContact CG1-CG 4.46Å; V302-F333 HydrophobicContact CG2-CD2 4.01Å; V302-F333 HydrophobicContact CG2-CE2 3.98Å; V315-F333 HydrophobicContact CG1-CB 3.89Å; V315-F333 HydrophobicContact CG1-CD1 3.72Å; V315-F333 HydrophobicContact CG1-CG 3.97Å; L317-F333 HydrophobicContact CB-CD1 4.44Å; L317-F333 HydrophobicContact CB-CE1 4.24Å; L317-F333 HydrophobicContact CD1-CD1 4.31Å; L317-F333 HydrophobicContact CD1-CE1 3.83Å; L317-F333 HydrophobicContact CD1-CZ 4.42Å; V331-F333 HydrophobicContact CB-CE2 4.27Å; V331-F333 HydrophobicContact CG1-CD2 4.24Å; V331-F333 HydrophobicContact CG1-CE1 4.07Å; V331-F333 HydrophobicContact CG1-CE2 3.51Å; V331-F333 HydrophobicContact CG1-CZ 3.41Å; V331-F333 VanDerWaalsContact CG1-CZ 3.41Å; F333-V417 HydrophobicContact CD2-CG1 3.76Å; F333-V417 HydrophobicContact CE2-CG1 3.96Å; F333-D418 PolarHBondContact N-O 3.04Å; F333-L419 HydrophobicContact CB-CD2 3.91Å; F333-L419 HydrophobicContact CD2-CD2 3.85Å; F333-L419 HydrophobicContact CG-CD2 4.35Å; F333-V420 PolarHBondContact O-N 3.46Å
334	L	98.7	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.1	170.3	-175.8	64.7	0	0	0	109.2	V315 T316 T318 V420 A422 F427 A430 L431	V315-L334 CarbonylContact C-O 3.53Å; T316-L334 PolarHBondContact N-O 3.06Å; T316-L334 PolarHBondContact O-N 3.05Å; T318-L334 HydrophobicContact CG2-CB 3.91Å; L334-V420 CarbonylContact C-O 3.55Å; L334-V420 HydrophobicContact CD1-CB 3.88Å; L334-V420 HydrophobicContact CD1-CG1 3.77Å; L334-A422 HydrophobicContact CD1-CB 3.97Å; L334-F427 HydrophobicContact CB-CE2 4.37Å; L334-F427 HydrophobicContact CD2-CD2 3.59Å; L334-F427 HydrophobicContact CD2-CE2 3.41Å; L334-F427 VanDerWaalsContact CD2-CE2 3.41Å; L334-F427 HydrophobicContact CD2-CG 4.38Å; L334-F427 HydrophobicContact CD2-CZ 4.03Å; L334-F427 HydrophobicContact CG-CD2 3.91Å; L334-F427 HydrophobicContact CG-CE2 3.6Å; L334-A430 HydrophobicContact CD1-CB 3.91Å; L334-A430 HydrophobicContact CD2-CB 3.83Å; L334-L431 HydrophobicContact CD2-CB 3.79Å; L334-L431 HydrophobicContact CD2-CD1 4.28Å; L334-L431 VanDerWaalsContact CD2-N 3.35Å
335	I	98.8	Very high	97	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.5	-175.5	-54.9	163.4	0	0	0	108.4	V306 T314 V315 L346 L347 L419 V420 V421 A422	V306-I335 HydrophobicContact CG1-CG2 3.97Å; V306-I335 HydrophobicContact CG2-CD1 3.78Å; V306-I335 HydrophobicContact CG2-CG1 4.35Å; V306-I335 HydrophobicContact CG2-CG2 4.36Å; T314-I335 WeakPolarHBondContact O-CA 3.31Å; V315-I335 HydrophobicContact CG1-CG1 4.36Å; V315-I335 HydrophobicContact CG2-CG1 4.3Å; I335-L346 HydrophobicContact CG2-CD2 3.57Å; I335-L347 HydrophobicContact CD1-CD2 4.13Å; I335-L419 HydrophobicContact CD1-CB 4.39Å; I335-V420 PolarHBondContact N-O 2.93Å; I335-V421 HydrophobicContact CB-CG2 4.13Å; I335-V421 HydrophobicContact CD1-CG2 4.43Å; I335-V421 WeakPolarHBondContact O-CA 3.05Å; I335-A422 PolarHBondContact O-N 3.33Å
336	T	98.6	Very high	96.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	174.8	173.7	-164.4	0	0	0	0	110.7	A313 T314 A422 I424 F427	A313-T336 CarbonylContact C-O 3.55Å; A313-T336 VanDerWaalsContact CA-O 3.27Å; A313-T336 WeakPolarHBondContact CA-O 3.49Å; A313-T336 WeakPolarHBondContact CB-O 3.26Å; T314-T336 PolarHBondContact N-O 3.19Å; T314-T336 PolarHBondContact O-N 2.89Å; T314-T336 VanDerWaalsContact O-N 3.1Å; T314-T336 WeakPolarHBondContact OG1-CG2 3.4Å; T336-A422 VanDerWaalsContact CB-O 3.24Å; T336-A422 WeakPolarHBondContact CB-O 3.37Å; T336-A422 PolarHBondContact OG1-O 3.47Å; T336-I424 HydrophobicContact CG2-CD1 3.9Å; T336-I424 WeakPolarHBondContact OG1-CA 3.46Å; T336-I424 PolarHBondContact OG1-N 2.9Å; T336-F427 HydrophobicContact CG2-CD2 3.41Å; T336-F427 VanDerWaalsContact CG2-CD2 3.41Å; T336-F427 HydrophobicContact CG2-CE2 3.6Å; T336-F427 HydrophobicContact CG2-CG 3.99Å; T336-F427 HydrophobicContact CG2-CZ 4.36Å
337	H	98.6	Very high	97	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.065	26%	0.264	C	S	.	.			trans	-133.1	136.9	173.9	-176.7	-84.6	0	0	0	109.4	L310 K339 Q342 E343 I424	L310-H337 HydrophobicContact CD2-CB 4.05Å; H337-K339 PolarHBondContact ND1-N 3.02Å; H337-K339 PolarHBondContact ND1-O 3.14Å; H337-K339 VanDerWaalsContact ND1-O 3.1Å; H337-K339 PolarHBondContact O-N 3.19Å; H337-K339 VanDerWaalsContact O-N 3.1Å; H337-Q342 HydrophobicContact CB-CB 4.23Å; H337-Q342 VanDerWaalsContact ND1-CB 3.34Å; H337-Q342 WeakPolarHBondContact ND1-CB 3.38Å; H337-E343 HydrophobicContact CB-CB 4.12Å; H337-I424 WeakPolarHBondContact O-CB 3.3Å
338	P	97.7	Very high	97.1	Very high	85 Å²	85	43.7 Å²	43.7	55%	0.552	26%	0.255	S	S	*	.	S	Bend	trans	-64.8	-19.1	-173.6	25.5	-36.3	0	0	0	114.4	G312	G312-P338 WeakPolarHBondContact O-CD 3.27Å
339	K	97.8	Very high	97.2	Very high	147 Å²	147	48.9 Å²	48.9	64%	0.639	27%	0.27	S	S	*	.	S	Bend	trans	-99.1	113.1	170	-55	178.9	-177.1	175.2	0	109	H337 Q342	H337-K339 PolarHBondContact ND1-N 3.02Å; H337-K339 PolarHBondContact ND1-O 3.14Å; H337-K339 VanDerWaalsContact ND1-O 3.1Å; H337-K339 PolarHBondContact O-N 3.19Å; H337-K339 VanDerWaalsContact O-N 3.1Å; K339-Q342 HydrophobicContact CB-CG 3.91Å; K339-Q342 WeakPolarHBondContact O-CB 3.41Å; K339-Q342 PolarHBondContact O-N 3.31Å
340	E	96.2	Very high	97.4	Very high	101 Å²	101	42 Å²	42	47%	0.472	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	134.6	178.9	-170.2	79.5	178.9	0	0	112.2	Q342 P423 I424 S425	E340-Q342 VanDerWaalsContact C-N 3.28Å; E340-Q342 PolarHBondContact O-N 3.27Å; E340-P423 VanDerWaalsContact OE1-CB 3.28Å; E340-P423 WeakPolarHBondContact OE1-CB 3.24Å; E340-I424 HydrophobicContact CB-CG2 4.17Å; E340-I424 WeakPolarHBondContact OE2-CG2 3.38Å; E340-I424 PolarHBondContact OE2-N 3.32Å; E340-S425 WeakPolarHBondContact OE1-CB 3.31Å; E340-S425 PolarHBondContact OE1-OG 3.13Å; E340-S425 WeakPolarHBondContact OE2-CB 3.23Å; E340-S425 PolarHBondContact OE2-N 3.36Å; E340-S425 PolarHBondContact OE2-OG 2.77Å
341	G	95.1	Very high	97.5	Very high	43 Å²	43	39.7 Å²	39.7	44%	0.443	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-13.9	175.9	0	0	0	0	0	114.7	E343 A344	G341-E343 VanDerWaalsContact C-N 3.27Å; G341-E343 WeakPolarHBondContact CA-OE1 3.29Å; G341-E343 WeakPolarHBondContact CA-OE2 3.28Å; G341-E343 PolarHBondContact N-OE1 3.22Å; G341-E343 PolarHBondContact N-OE2 2.64Å; G341-E343 PolarHBondContact O-N 3.39Å; G341-A344 WeakPolarHBondContact O-CB 3.29Å; G341-A344 PolarHBondContact O-N 3.46Å
342	Q	97.3	Very high	97.4	Very high	109 Å²	109	46.8 Å²	46.8	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.1	176	-69.7	-67.2	-14.7	0	0	112.6	L310 H337 K339 E340 A344	L310-Q342 VanDerWaalsContact CD2-O 3.23Å; L310-Q342 WeakPolarHBondContact CD2-O 3.08Å; H337-Q342 HydrophobicContact CB-CB 4.23Å; H337-Q342 VanDerWaalsContact ND1-CB 3.34Å; H337-Q342 WeakPolarHBondContact ND1-CB 3.38Å; K339-Q342 HydrophobicContact CB-CG 3.91Å; K339-Q342 WeakPolarHBondContact O-CB 3.41Å; K339-Q342 PolarHBondContact O-N 3.31Å; E340-Q342 VanDerWaalsContact C-N 3.28Å; E340-Q342 PolarHBondContact O-N 3.27Å; Q342-A344 PolarHBondContact O-N 2.96Å
343	E	96.6	Very high	97.3	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.3	176.1	76.2	-67.3	156.7	0	0	113.5	H337 G341 G345 L346 V421 P423	H337-E343 HydrophobicContact CB-CB 4.12Å; G341-E343 VanDerWaalsContact C-N 3.27Å; G341-E343 WeakPolarHBondContact CA-OE1 3.29Å; G341-E343 WeakPolarHBondContact CA-OE2 3.28Å; G341-E343 PolarHBondContact N-OE1 3.22Å; G341-E343 PolarHBondContact N-OE2 2.64Å; G341-E343 PolarHBondContact O-N 3.39Å; E343-G345 PolarHBondContact O-N 2.91Å; E343-L346 WeakPolarHBondContact O-CB 3.47Å; E343-L346 PolarHBondContact O-N 3.25Å; E343-V421 HydrophobicContact CB-CG1 3.56Å; E343-V421 HydrophobicContact CG-CG1 3.67Å; E343-V421 WeakPolarHBondContact O-CG1 3.25Å; E343-P423 WeakPolarHBondContact OE1-CA 3.23Å; E343-P423 WeakPolarHBondContact OE1-CB 3.31Å
344	A	94.6	Very high	97.3	Very high	76 Å²	76	48.5 Å²	48.5	63%	0.628	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	126.3	-175.2	0	0	0	0	0	112.4	G341 Q342 L346	G341-A344 WeakPolarHBondContact O-CB 3.29Å; G341-A344 PolarHBondContact O-N 3.46Å; Q342-A344 PolarHBondContact O-N 2.96Å; A344-L346 VanDerWaalsContact C-N 3.29Å; A344-L346 PolarHBondContact O-N 2.97Å
345	G	94.4	Very high	97.2	Very high	40 Å²	40	52.6 Å²	52.6	41%	0.412	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	24.6	178.5	0	0	0	0	0	113.5	E343 E386	E343-G345 PolarHBondContact O-N 2.91Å; G345-E386 PolarHBondContact N-OE2 3.27Å
346	L	97.3	Very high	97.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-70.1	-41.2	-178.3	176.6	58.8	0	0	0	112.1	A309 L310 A313 I335 E343 A344 R349 V350 E386 V421	A309-L346 HydrophobicContact CB-CD1 3.8Å; L310-L346 HydrophobicContact CB-CD1 3.51Å; L310-L346 HydrophobicContact CD2-CD1 4.12Å; L310-L346 HydrophobicContact CD2-CD2 4.16Å; L310-L346 HydrophobicContact CG-CD1 4.48Å; A313-L346 HydrophobicContact CB-CD2 4.46Å; I335-L346 HydrophobicContact CG2-CD2 3.57Å; E343-L346 WeakPolarHBondContact O-CB 3.47Å; E343-L346 PolarHBondContact O-N 3.25Å; A344-L346 VanDerWaalsContact C-N 3.29Å; A344-L346 PolarHBondContact O-N 2.97Å; L346-R349 WeakPolarHBondContact O-CB 3.43Å; L346-R349 PolarHBondContact O-N 3.04Å; L346-R349 VanDerWaalsContact O-N 3.08Å; L346-V350 HydrophobicContact CD1-CG2 3.79Å; L346-V350 HydrophobicContact CG-CG2 3.84Å; L346-V350 PolarHBondContact O-N 2.91Å; L346-V350 VanDerWaalsContact O-N 3.13Å; L346-E386 PolarHBondContact N-OE2 2.98Å; L346-V421 HydrophobicContact CB-CG2 4.35Å; L346-V421 HydrophobicContact CD2-CG2 4.36Å
347	L	97.8	Very high	96.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-42.8	-170.6	-68.1	-173.4	0	0	0	114	I335 R349 V350 M351 E386 R387 L419 V421	I335-L347 HydrophobicContact CD1-CD2 4.13Å; L347-R349 PolarHBondContact O-N 2.95Å; L347-R349 VanDerWaalsContact O-N 3.17Å; L347-V350 PolarHBondContact O-N 3.29Å; L347-M351 WeakPolarHBondContact O-CB 3.41Å; L347-M351 WeakPolarHBondContact O-CG 3.29Å; L347-M351 PolarHBondContact O-N 3.34Å; L347-E386 HydrophobicContact CB-CG 4.33Å; L347-E386 HydrophobicContact CD1-CG 3.94Å; L347-E386 HydrophobicContact CG-CG 4.14Å; L347-R387 VanDerWaalsContact CD1-CA 3.41Å; L347-L419 HydrophobicContact CD1-CB 4.49Å; L347-L419 HydrophobicContact CD2-CB 3.9Å; L347-L419 HydrophobicContact CD2-CD1 4.35Å; L347-V421 HydrophobicContact CD1-CG2 4.16Å; L347-V421 HydrophobicContact CD2-CG2 3.5Å; L347-V421 HydrophobicContact CG-CG2 3.51Å
348	P	97.9	Very high	96.8	Very high	55 Å²	55	63.7 Å²	63.7	36%	0.357	35%	0.345	S	S	.	.	H	α-helix	trans	-55.2	-34.6	176.3	-29.4	34.6	0	0	0	113.8	R352 E386	P348-R352 PolarHBondContact O-N 2.93Å; P348-E386 WeakPolarHBondContact CD-OE1 3.38Å
349	R	97.8	Very high	96.7	Very high	123 Å²	123	60.9 Å²	60.9	46%	0.464	33%	0.326	S	S	.	.	H	α-helix	trans	-72.9	-48.8	177.6	-61.3	174.1	65.8	-175.2	0.2	110.5	A309 L346 L347 M351 R352 H353	A309-R349 HydrophobicContact CB-CB 3.93Å; A309-R349 PolarHBondContact O-NE 3.39Å; A309-R349 PolarHBondContact O-NH1 2.94Å; A309-R349 PolarHBondContact O-NH2 3.47Å; L346-R349 WeakPolarHBondContact O-CB 3.43Å; L346-R349 PolarHBondContact O-N 3.04Å; L346-R349 VanDerWaalsContact O-N 3.08Å; L347-R349 PolarHBondContact O-N 2.95Å; L347-R349 VanDerWaalsContact O-N 3.17Å; R349-M351 VanDerWaalsContact C-N 3.33Å; R349-M351 PolarHBondContact O-N 3.08Å; R349-R352 WeakPolarHBondContact O-CB 3.29Å; R349-R352 PolarHBondContact O-N 3.33Å; R349-H353 PolarHBondContact O-CD2 3.37Å; R349-H353 PolarHBondContact O-N 3.28Å
350	V	98.3	Very high	96.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-46.2	176.4	175.6	0	0	0	0	111.1	A305 V306 A309 L346 L347 R352 H353 L354 L419	A305-V350 HydrophobicContact CB-CG1 4.11Å; V306-V350 HydrophobicContact CG2-CG1 4.07Å; V306-V350 HydrophobicContact CG2-CG2 3.87Å; A309-V350 HydrophobicContact CB-CG2 3.63Å; L346-V350 HydrophobicContact CD1-CG2 3.79Å; L346-V350 HydrophobicContact CG-CG2 3.84Å; L346-V350 PolarHBondContact O-N 2.91Å; L346-V350 VanDerWaalsContact O-N 3.13Å; L347-V350 PolarHBondContact O-N 3.29Å; V350-R352 VanDerWaalsContact C-N 3.29Å; V350-R352 PolarHBondContact O-N 3.44Å; V350-H353 PolarHBondContact O-N 3.49Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 WeakPolarHBondContact O-CG 3.29Å; V350-L354 PolarHBondContact O-N 2.98Å; V350-L419 HydrophobicContact CG1-CD1 4.43Å
351	M	98.1	Very high	96.8	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-38	179	-68.4	-46.7	-53.9	0	0	111.9	L347 R349 L354 Q355 I360 H363 L419	L347-M351 WeakPolarHBondContact O-CB 3.41Å; L347-M351 WeakPolarHBondContact O-CG 3.29Å; L347-M351 PolarHBondContact O-N 3.34Å; R349-M351 VanDerWaalsContact C-N 3.33Å; R349-M351 PolarHBondContact O-N 3.08Å; M351-L354 PolarHBondContact O-N 3.01Å; M351-L354 HydrophobicContact SD-CD1 4.4Å; M351-Q355 VanDerWaalsContact O-CB 3.31Å; M351-Q355 WeakPolarHBondContact O-CB 3.28Å; M351-Q355 WeakPolarHBondContact O-CG 3.33Å; M351-Q355 PolarHBondContact O-N 3.4Å; M351-Q355 PolarHBondContact O-OE1 3.5Å; M351-I360 HydrophobicContact CE-CD1 3.65Å; M351-I360 HydrophobicContact CE-CG1 3.73Å; M351-I360 HydrophobicContact CE-CG2 4Å; M351-H363 HydrophobicContact CE-CB 3.65Å; M351-L419 HydrophobicContact SD-CD1 4.07Å
352	R	97.4	Very high	97	Very high	149 Å²	149	52.7 Å²	52.7	56%	0.562	28%	0.279	S	S	*	.	H	α-helix	trans	-61.2	-48.7	175.3	-172.1	-177.9	-60.7	148.6	2.8	111.5	P348 R349 V350 L354 Q355 D356	P348-R352 PolarHBondContact O-N 2.93Å; R349-R352 WeakPolarHBondContact O-CB 3.29Å; R349-R352 PolarHBondContact O-N 3.33Å; V350-R352 VanDerWaalsContact C-N 3.29Å; V350-R352 PolarHBondContact O-N 3.44Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.36Å; R352-Q355 WeakPolarHBondContact O-CB 3.25Å; R352-Q355 PolarHBondContact O-N 3.02Å; R352-Q355 VanDerWaalsContact O-N 3.16Å; R352-D356 PolarHBondContact O-N 3.12Å
353	H	96.6	Very high	97	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-44.4	177.1	-70.2	-74.6	0	0	0	112.1	A305 Q308 R349 V350 Q355 D356 Q357	A305-H353 HydrophobicContact CB-CB 4.17Å; Q308-H353 PolarHBondContact OE1-ND1 3.4Å; R349-H353 PolarHBondContact O-CD2 3.37Å; R349-H353 PolarHBondContact O-N 3.28Å; V350-H353 PolarHBondContact O-N 3.49Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 3.46Å; H353-D356 PolarHBondContact O-N 3.27Å; H353-Q357 WeakPolarHBondContact O-CG 3.44Å; H353-Q357 PolarHBondContact O-N 3.06Å
354	L	97.7	Very high	97	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-33.7	178.1	-65.5	167.3	0	0	0	112.6	A305 V350 M351 R352 G358 L359 I360 F392 L419	A305-L354 HydrophobicContact CB-CD1 4.4Å; A305-L354 HydrophobicContact CB-CD2 3.66Å; A305-L354 HydrophobicContact CB-CG 3.73Å; V350-L354 HydrophobicContact CG1-CD1 3.83Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 WeakPolarHBondContact O-CG 3.29Å; V350-L354 PolarHBondContact O-N 2.98Å; M351-L354 PolarHBondContact O-N 3.01Å; M351-L354 HydrophobicContact SD-CD1 4.4Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.36Å; L354-G358 PolarHBondContact O-N 2.98Å; L354-L359 HydrophobicContact CD2-CD1 4.13Å; L354-L359 WeakPolarHBondContact O-CB 3.24Å; L354-L359 PolarHBondContact O-N 3.12Å; L354-I360 HydrophobicContact CB-CD1 3.8Å; L354-I360 HydrophobicContact CB-CG1 3.63Å; L354-I360 HydrophobicContact CD1-CD1 4.2Å; L354-F392 HydrophobicContact CD1-CE1 4.05Å; L354-F392 HydrophobicContact CD1-CZ 3.66Å; L354-F392 HydrophobicContact CD2-CE1 4.03Å; L354-F392 HydrophobicContact CD2-CZ 4.48Å; L354-L419 HydrophobicContact CD1-CD1 4.46Å
355	Q	97.3	Very high	97	Very high	87 Å²	87	52 Å²	52	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-42.8	174.7	-77.6	169.4	-34.9	0	0	112	M351 R352 H353 Q357 G358 I360 H363	M351-Q355 VanDerWaalsContact O-CB 3.31Å; M351-Q355 WeakPolarHBondContact O-CB 3.28Å; M351-Q355 WeakPolarHBondContact O-CG 3.33Å; M351-Q355 PolarHBondContact O-N 3.4Å; M351-Q355 PolarHBondContact O-OE1 3.5Å; R352-Q355 WeakPolarHBondContact O-CB 3.25Å; R352-Q355 PolarHBondContact O-N 3.02Å; R352-Q355 VanDerWaalsContact O-N 3.16Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 3.46Å; Q355-Q357 PolarHBondContact O-N 3.5Å; Q355-G358 WeakPolarHBondContact O-CA 3.4Å; Q355-G358 PolarHBondContact O-N 2.86Å; Q355-I360 HydrophobicContact CG-CB 3.95Å; Q355-I360 HydrophobicContact CG-CG1 4.04Å; Q355-I360 HydrophobicContact CG-CG2 4.37Å; Q355-H363 PolarHBondContact NE2-CD2 2.99Å; Q355-H363 PolarHBondContact NE2-NE2 2.87Å; Q355-H363 VanDerWaalsContact NE2-NE2 3.11Å
356	D	96.3	Very high	96.9	Very high	128 Å²	128	53.2 Å²	53.2	68%	0.684	26%	0.258	S	S	*	.	H	α-helix	trans	-62.2	-29.9	178.3	-67.5	-19.1	0	0	0	111.6	R352 H353 G358	R352-D356 PolarHBondContact O-N 3.12Å; H353-D356 PolarHBondContact O-N 3.27Å; D356-G358 VanDerWaalsContact C-N 3.3Å
357	Q	94.2	Very high	96.6	Very high	82 Å²	82	59.4 Å²	59.4	38%	0.383	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.8	172.3	-65.6	-179.3	-0.5	0	0	114	H353 Q355 L359	H353-Q357 WeakPolarHBondContact O-CG 3.44Å; H353-Q357 PolarHBondContact O-N 3.06Å; Q355-Q357 PolarHBondContact O-N 3.5Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 HydrophobicContact CB-CD1 4.12Å; Q357-L359 HydrophobicContact CB-CG 3.89Å; Q357-L359 PolarHBondContact O-N 3.33Å; Q357-L359 VanDerWaalsContact OE1-CD1 3.23Å
358	G	95.9	Very high	95.9	Very high	38 Å²	38	63 Å²	63	39%	0.392	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	22.5	-177.9	0	0	0	0	0	114.4	L354 Q355 D356	L354-G358 PolarHBondContact O-N 2.98Å; Q355-G358 WeakPolarHBondContact O-CA 3.4Å; Q355-G358 PolarHBondContact O-N 2.86Å; D356-G358 VanDerWaalsContact C-N 3.3Å
359	L	96.8	Very high	94.9	Very high	26 Å²	26	68.9 Å²	68.9	14%	0.136	33%	0.327	C	S	.	.			trans	-88.5	-8.7	-176.5	-62.5	-178.8	0	0	0	113.8	A301 L354 Q357 F392 R393	A301-L359 HydrophobicContact CB-CD1 4.2Å; L354-L359 HydrophobicContact CD2-CD1 4.13Å; L354-L359 WeakPolarHBondContact O-CB 3.24Å; L354-L359 PolarHBondContact O-N 3.12Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 HydrophobicContact CB-CD1 4.12Å; Q357-L359 HydrophobicContact CB-CG 3.89Å; Q357-L359 PolarHBondContact O-N 3.33Å; Q357-L359 VanDerWaalsContact OE1-CD1 3.23Å; L359-F392 CarbonylContact O-C 3.42Å; L359-F392 WeakPolarHBondContact O-CA 3.32Å; L359-R393 PolarHBondContact O-N 3.48Å
360	I	98.1	Very high	92.9	Very high	26 Å²	26	74.7 Å²	74.7	13%	0.133	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.3	-175.1	-57.1	-58.1	0	0	0	111	M351 L354 Q355 H363 F392	M351-I360 HydrophobicContact CE-CD1 3.65Å; M351-I360 HydrophobicContact CE-CG1 3.73Å; M351-I360 HydrophobicContact CE-CG2 4Å; L354-I360 HydrophobicContact CB-CD1 3.8Å; L354-I360 HydrophobicContact CB-CG1 3.63Å; L354-I360 HydrophobicContact CD1-CD1 4.2Å; Q355-I360 HydrophobicContact CG-CB 3.95Å; Q355-I360 HydrophobicContact CG-CG1 4.04Å; Q355-I360 HydrophobicContact CG-CG2 4.37Å; I360-H363 HydrophobicContact CG2-CB 4.13Å; I360-F392 HydrophobicContact CD1-CD1 4.32Å; I360-F392 HydrophobicContact CD1-CD2 3.79Å; I360-F392 HydrophobicContact CD1-CE1 4.13Å; I360-F392 HydrophobicContact CD1-CE2 3.55Å; I360-F392 HydrophobicContact CD1-CG 4.18Å; I360-F392 HydrophobicContact CD1-CZ 3.76Å
361	L	98.1	Very high	91.1	Very high	61 Å²	61	76.9 Å²	76.9	32%	0.319	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-33	174.7	-61.2	171.3	0	0	0	111.8	I391 R393 W412 A414	L361-I391 HydrophobicContact CB-CB 4.27Å; L361-I391 HydrophobicContact CB-CG2 4.09Å; L361-I391 WeakPolarHBondContact CB-O 2.97Å; L361-I391 HydrophobicContact CD1-CG2 3.99Å; L361-I391 PolarHBondContact N-O 2.89Å; L361-R393 HydrophobicContact CD1-CB 4.02Å; L361-R393 HydrophobicContact CD2-CB 4.03Å; L361-R393 HydrophobicContact CG-CB 3.86Å; L361-W412 HydrophobicContact CD1-CE3 4.2Å; L361-W412 HydrophobicContact CD1-CH2 3.9Å; L361-W412 HydrophobicContact CD1-CZ3 3.41Å; L361-W412 VanDerWaalsContact CD1-CZ3 3.41Å; L361-W412 HydrophobicContact CD2-CH2 4.38Å; L361-A414 HydrophobicContact CD1-CB 3.94Å
362	Y	98.3	Very high	89.3	Confident	32 Å²	32	79 Å²	79	13%	0.125	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.6	177	171.5	-89.2	0	0	0	108.9	F244 Q275 A278 Q364 C390 I391	F244-Y362 AromaticContact CE1-CD1 3.67Å; F244-Y362 HydrophobicContact CE1-CD1 3.67Å; F244-Y362 AromaticContact CE1-CE1 3.45Å; F244-Y362 HydrophobicContact CE1-CE1 3.45Å; F244-Y362 VanDerWaalsContact CE1-CE1 3.45Å; F244-Y362 HydrophobicContact CZ-CD1 4.31Å; F244-Y362 AromaticContact CZ-CE1 3.83Å; F244-Y362 HydrophobicContact CZ-CE1 3.83Å; Q275-Y362 WeakPolarHBondContact CA-OH 3.24Å; Q275-Y362 HydrophobicContact CB-CE2 4.36Å; Q275-Y362 WeakPolarHBondContact CB-OH 3.48Å; Q275-Y362 HydrophobicContact CG-CE1 4.21Å; Q275-Y362 VanDerWaalsContact CG-OH 3.31Å; Q275-Y362 WeakPolarHBondContact CG-OH 3.39Å; Q275-Y362 PolarHBondContact NE2-OH 3.37Å; A278-Y362 HydrophobicContact CB-CD2 3.56Å; A278-Y362 HydrophobicContact CB-CE2 4.25Å; A278-Y362 HydrophobicContact CB-CG 3.81Å; Y362-Q364 HydrophobicContact CE1-CB 4.06Å; Y362-Q364 WeakPolarHBondContact OH-CB 3.4Å; Y362-C390 CarbonylContact O-C 3.59Å; Y362-C390 VanDerWaalsContact O-CA 3.27Å; Y362-C390 WeakPolarHBondContact O-CA 3.24Å; Y362-I391 HydrophobicContact CD1-CD1 4.45Å; Y362-I391 HydrophobicContact CD1-CG1 4.26Å; Y362-I391 HydrophobicContact CG-CD1 4.37Å; Y362-I391 HydrophobicContact CG-CG1 4.5Å; Y362-I391 PolarHBondContact N-O 3.06Å; Y362-I391 PolarHBondContact O-N 3.47Å
363	H	97.4	Very high	87.6	Confident	66 Å²	66	75.4 Å²	75.4	31%	0.306	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.1	160.3	77.4	95.4	0	0	0	111.7	M351 Q355 I360 F389 C390	M351-H363 HydrophobicContact CE-CB 3.65Å; Q355-H363 PolarHBondContact NE2-CD2 2.99Å; Q355-H363 PolarHBondContact NE2-NE2 2.87Å; Q355-H363 VanDerWaalsContact NE2-NE2 3.11Å; I360-H363 HydrophobicContact CG2-CB 4.13Å; H363-F389 CarbonylContact C-O 3.09Å; H363-F389 VanDerWaalsContact CA-O 3.27Å; H363-F389 WeakPolarHBondContact CA-O 3.33Å; H363-C390 HydrophobicContact CB-CB 4.44Å
364	Q	96.3	Very high	85.9	Confident	74 Å²	74	76.5 Å²	76.5	35%	0.346	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109.3	167.7	-175.6	178.9	25.1	0	0	108.9	Y362 S388 F389	Y362-Q364 HydrophobicContact CE1-CB 4.06Å; Y362-Q364 WeakPolarHBondContact OH-CB 3.4Å; Q364-S388 WeakPolarHBondContact O-CA 3.38Å; Q364-F389 PolarHBondContact N-O 3.44Å; Q364-F389 PolarHBondContact O-N 2.81Å
365	H	95.3	Very high	84.4	Confident	47 Å²	47	84.3 Å²	84.3	22%	0.218	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.6	177	175.8	-112.9	0	0	0	111.1	H367 E386 R387	H365-H367 AromaticContact CE1-CD2 3.72Å; H365-H367 AromaticContact CE1-CE1 3.33Å; H365-H367 PolarHBondContact CE1-CE1 3.17Å; H365-H367 AromaticContact CE1-CG 3.67Å; H365-H367 AromaticContact CE1-ND1 3.43Å; H365-H367 PolarHBondContact CE1-ND1 3.1Å; H365-H367 AromaticContact CE1-NE2 3.52Å; H365-H367 AromaticContact ND1-CE1 3.3Å; H365-H367 PolarHBondContact ND1-CE1 3.2Å; H365-H367 VanDerWaalsContact ND1-CE1 3.3Å; H365-H367 AromaticContact ND1-ND1 3.45Å; H365-H367 PolarHBondContact ND1-ND1 3.08Å; H365-H367 AromaticContact ND1-NE2 3.93Å; H365-E386 IonicContact CD2-OE1 3.52Å; H365-E386 IonicContact CE1-OE1 3.36Å; H365-E386 IonicContact NE2-OE1 2.77Å; H365-E386 PolarHBondContact NE2-OE1 3.13Å; H365-R387 CarbonylContact C-O 3.6Å; H365-R387 WeakPolarHBondContact CA-O 3.48Å
366	Q	92.7	Very high	82.9	Confident	64 Å²	64	81.3 Å²	81.3	30%	0.299	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.3	172.5	-61.3	-170.3	-4.7	0	0	108.2	E386 R387	Q366-E386 WeakPolarHBondContact O-CA 3.47Å; Q366-R387 PolarHBondContact N-O 3.04Å; Q366-R387 PolarHBondContact O-N 3.21Å
367	H	89.7	Confident	81.3	Confident	134 Å²	134	75.3 Å²	75.3	62%	0.62	37%	0.365	S	S	*	.			trans	-68.2	150.5	175.9	-66.4	71.5	0	0	0	110.4	H365 R369	H365-H367 AromaticContact CE1-CD2 3.72Å; H365-H367 AromaticContact CE1-CE1 3.33Å; H365-H367 PolarHBondContact CE1-CE1 3.17Å; H365-H367 AromaticContact CE1-CG 3.67Å; H365-H367 AromaticContact CE1-ND1 3.43Å; H365-H367 PolarHBondContact CE1-ND1 3.1Å; H365-H367 AromaticContact CE1-NE2 3.52Å; H365-H367 AromaticContact ND1-CE1 3.3Å; H365-H367 PolarHBondContact ND1-CE1 3.2Å; H365-H367 VanDerWaalsContact ND1-CE1 3.3Å; H365-H367 AromaticContact ND1-ND1 3.45Å; H365-H367 PolarHBondContact ND1-ND1 3.08Å; H365-H367 AromaticContact ND1-NE2 3.93Å; H367-R369 PolarHBondContact O-N 3Å
368	S	84.3	Confident	79.7	Confident	76 Å²	76	77.3 Å²	77.3	53%	0.531	37%	0.374	S	S	.	.			trans	-58.5	127.2	168.5	57.8	0	0	0	0	109.5	W370 A384	S368-W370 PolarHBondContact O-N 3.09Å; S368-A384 CarbonylContact C-O 3.56Å; S368-A384 VanDerWaalsContact CA-O 3.25Å; S368-A384 WeakPolarHBondContact CA-O 3.13Å
369	R	75.9	Confident	78.1	Confident	178 Å²	178	78 Å²	78	67%	0.672	37%	0.367	S	S	*	.			trans	-88.1	108.8	172.9	-63.1	-176.6	179.2	-162	-1.3	108	H367 E371 A384	H367-R369 PolarHBondContact O-N 3Å; R369-E371 PolarHBondContact O-N 2.85Å; R369-A384 HydrophobicContact CB-CB 4.19Å; R369-A384 PolarHBondContact N-O 3.39Å
370	W	55.3	Low	75.9	Confident	244 Å²	244	82 Å²	82	92%	0.924	40%	0.397	S	S	*	.			trans	-71.1	114.1	171.6	-165.8	81.9	0	0	0	108.7	S368	S368-W370 PolarHBondContact O-N 3.09Å
371	E	61.2	Low	74	Confident	47 Å²	47	87.3 Å²	87.3	22%	0.22	42%	0.421	C	S	.	.			trans	-128.2	154.9	175.9	-72.9	-171.1	-155.9	0	0	109.8	R369 R375 L376 Q379	R369-E371 PolarHBondContact O-N 2.85Å; E371-R375 HydrophobicContact CB-CB 4.39Å; E371-L376 HydrophobicContact CB-CD2 3.98Å; E371-L376 HydrophobicContact CB-CG 3.91Å; E371-L376 WeakPolarHBondContact O-CD1 3.12Å; E371-Q379 PolarHBondContact OE1-NE2 3.11Å; E371-Q379 PolarHBondContact OE2-NE2 3Å
372	S	60.2	Low	72	Confident	47 Å²	47	89.4 Å²	89.4	33%	0.329	43%	0.431	S	S	.	.			trans	-60	145.7	177	68.9	0	0	0	0	110.3	T374 R375 L376	S372-T374 PolarHBondContact O-N 3.01Å; S372-T374 VanDerWaalsContact O-N 3.11Å; S372-R375 WeakPolarHBondContact O-CA 3.49Å; S372-R375 PolarHBondContact O-N 3.38Å; S372-R375 WeakPolarHBondContact OG-CG 3.35Å; S372-R375 PolarHBondContact OG-N 3.49Å; S372-L376 PolarHBondContact O-N 3.36Å
373	P	61.4	Low	70.7	Confident	74 Å²	74	88.2 Å²	88.2	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-52.6	-39.2	-178.4	-27.1	33.7	0	0	0	112.8	R375 L376 A377 F469	P373-R375 PolarHBondContact O-N 3.09Å; P373-L376 PolarHBondContact O-N 3.29Å; P373-A377 PolarHBondContact O-N 3.25Å; P373-F469 HydrophobicContact CB-CD2 4.19Å; P373-F469 HydrophobicContact CB-CE2 3.34Å; P373-F469 HydrophobicContact CB-CZ 3.87Å; P373-F469 WeakPolarHBondContact O-CZ 3.37Å
374	T	61.7	Low	70.1	Confident	76 Å²	76	85.3 Å²	85.3	47%	0.466	41%	0.414	S	S	.	.	H	α-helix	trans	-64.2	-36.9	177	-28.4	0	0	0	0	113	S372 Q378	S372-T374 PolarHBondContact O-N 3.01Å; S372-T374 VanDerWaalsContact O-N 3.11Å; T374-Q378 WeakPolarHBondContact O-CG 3.4Å; T374-Q378 PolarHBondContact O-N 3.38Å
375	R	66.6	Low	69.9	Low	164 Å²	164	82.1 Å²	82.1	62%	0.619	40%	0.399	S	S	*	.	H	α-helix	trans	-72.1	-43	175.7	-77.6	-174.1	178.4	-155.5	1.5	111.1	E371 S372 P373 A377 Q378 Q379	E371-R375 HydrophobicContact CB-CB 4.39Å; S372-R375 WeakPolarHBondContact O-CA 3.49Å; S372-R375 PolarHBondContact O-N 3.38Å; S372-R375 WeakPolarHBondContact OG-CG 3.35Å; S372-R375 PolarHBondContact OG-N 3.49Å; P373-R375 PolarHBondContact O-N 3.09Å; R375-A377 VanDerWaalsContact C-N 3.27Å; R375-A377 PolarHBondContact O-N 3.24Å; R375-Q378 PolarHBondContact O-N 2.79Å; R375-Q379 WeakPolarHBondContact O-CG 3.45Å; R375-Q379 PolarHBondContact O-N 3.09Å; R375-Q379 VanDerWaalsContact O-N 3.16Å
376	L	66	Low	69.9	Low	23 Å²	23	80.4 Å²	80.4	12%	0.12	39%	0.391	C	S	.	.	H	α-helix	trans	-55	-44.3	174.1	-71.2	169.1	0	0	0	111	E371 S372 P373 Q378 Q379 A384 N457	E371-L376 HydrophobicContact CB-CD2 3.98Å; E371-L376 HydrophobicContact CB-CG 3.91Å; E371-L376 WeakPolarHBondContact O-CD1 3.12Å; S372-L376 PolarHBondContact O-N 3.36Å; P373-L376 PolarHBondContact O-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.43Å; L376-Q379 PolarHBondContact O-N 3.33Å; L376-A384 HydrophobicContact CD2-CB 4.18Å; L376-N457 PolarHBondContact O-ND2 3.33Å
377	A	61.4	Low	70	Confident	3 Å²	3	78.7 Å²	78.7	3%	0.025	38%	0.382	C	S	.	.	H	α-helix	trans	-63	-24.8	177.3	0	0	0	0	0	114.2	P373 R375 W455 F462 F469	P373-A377 PolarHBondContact O-N 3.25Å; R375-A377 VanDerWaalsContact C-N 3.27Å; R375-A377 PolarHBondContact O-N 3.24Å; A377-W455 HydrophobicContact CB-CE3 3.93Å; A377-F462 HydrophobicContact CB-CB 3.87Å; A377-F462 HydrophobicContact CB-CD1 3.91Å; A377-F462 HydrophobicContact CB-CG 3.86Å; A377-F469 HydrophobicContact CB-CZ 4.08Å
378	Q	61.4	Low	70.4	Confident	123 Å²	123	72.3 Å²	72.3	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-92.3	-12.6	-179.8	-70.2	174.9	-7.2	0	0	113.5	T374 R375 L376 W455	T374-Q378 WeakPolarHBondContact O-CG 3.4Å; T374-Q378 PolarHBondContact O-N 3.38Å; R375-Q378 PolarHBondContact O-N 2.79Å; L376-Q378 PolarHBondContact O-N 3.43Å; Q378-W455 HydrophobicContact CG-CE3 4.33Å; Q378-W455 HydrophobicContact CG-CH2 4.4Å; Q378-W455 HydrophobicContact CG-CZ3 3.65Å
379	Q	62.3	Low	71	Confident	52 Å²	52	70.5 Å²	70.5	24%	0.243	34%	0.335	C	S	.	.			trans	-69.9	140.6	-177.4	-73.2	-165.7	-16.5	0	0	113.1	E371 R375 L376	E371-Q379 PolarHBondContact OE1-NE2 3.11Å; E371-Q379 PolarHBondContact OE2-NE2 3Å; R375-Q379 WeakPolarHBondContact O-CG 3.45Å; R375-Q379 PolarHBondContact O-N 3.09Å; R375-Q379 VanDerWaalsContact O-N 3.16Å; L376-Q379 PolarHBondContact O-N 3.33Å
380	S	51.3	Low	72.1	Confident	110 Å²	110	62 Å²	62	77%	0.769	30%	0.303	S	S	*	.			trans	-96.4	-9.8	173.1	60.4	0	0	0	0	113.7
381	H	57.8	Low	74.1	Confident	139 Å²	139	50.4 Å²	50.4	64%	0.644	26%	0.259	S	S	*	.	S	Bend	trans	-71.8	152.6	177.5	-73.8	-74.5	0	0	0	111.7	D383	H381-D383 PolarHBondContact O-N 3.3Å
382	M	55.4	Low	75.9	Confident	105 Å²	105	48.2 Å²	48.2	52%	0.517	25%	0.249	S	C	.	.	S	Bend	trans	-54	-48.4	-173.4	-86.4	-84.2	-70.9	0	0	112.5	S458	M382-S458 VanDerWaalsContact O-CB 3.29Å; M382-S458 WeakPolarHBondContact O-CB 3.2Å; M382-S458 PolarHBondContact O-OG 2.7Å
383	D	71.4	Confident	77.7	Confident	6 Å²	6	51 Å²	51	3%	0.032	25%	0.252	C	S	.	.			trans	-171.4	168.8	169.5	55.4	72.5	0	0	0	110.8	H381 F385 R387 W434 H459	H381-D383 PolarHBondContact O-N 3.3Å; D383-F385 HydrophobicContact CB-CD2 3.57Å; D383-F385 HydrophobicContact CB-CE2 4.05Å; D383-F385 HydrophobicContact CB-CG 4.36Å; D383-F385 PolarHBondContact OD1-N 2.92Å; D383-R387 VanDerWaalsContact O-CZ 3.24Å; D383-R387 PolarHBondContact O-NH1 3.12Å; D383-R387 PolarHBondContact O-NH2 3.08Å; D383-R387 WeakPolarHBondContact OD1-CD 3.5Å; D383-R387 IonicContact OD1-CZ 3.19Å; D383-R387 IonicContact OD1-NE 2.71Å; D383-R387 PolarHBondContact OD1-NE 3.3Å; D383-R387 IonicContact OD1-NH1 2.86Å; D383-R387 PolarHBondContact OD1-NH1 3.17Å; D383-R387 IonicContact OD2-NH1 3.05Å; D383-W434 VanDerWaalsContact OD2-CE2 3.3Å; D383-W434 WeakPolarHBondContact OD2-CZ2 3.46Å; D383-W434 PolarHBondContact OD2-NE1 3.43Å; D383-H459 WeakPolarHBondContact CA-NE2 3.49Å
384	A	83.9	Confident	79.3	Confident	6 Å²	6	47.9 Å²	47.9	5%	0.05	23%	0.232	C	C	.	.			trans	-112.9	17	176.9	0	0	0	0	0	112.4	S368 R369 L376 H459	S368-A384 CarbonylContact C-O 3.56Å; S368-A384 VanDerWaalsContact CA-O 3.25Å; S368-A384 WeakPolarHBondContact CA-O 3.13Å; R369-A384 HydrophobicContact CB-CB 4.19Å; R369-A384 PolarHBondContact N-O 3.39Å; L376-A384 HydrophobicContact CD2-CB 4.18Å; A384-H459 PolarHBondContact N-CE1 3.42Å; A384-H459 PolarHBondContact N-NE2 2.96Å
385	F	92.2	Very high	80.8	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-67.9	160	179	-69.2	-54.4	0	0	0	111.9	D383 R387 V420 V421 A422 P423 Q426 A430 S458 H459	D383-F385 HydrophobicContact CB-CD2 3.57Å; D383-F385 HydrophobicContact CB-CE2 4.05Å; D383-F385 HydrophobicContact CB-CG 4.36Å; D383-F385 PolarHBondContact OD1-N 2.92Å; F385-R387 HydrophobicContact CB-CG 4.48Å; F385-R387 PolarHBondContact O-N 3.4Å; F385-R387 PolarHBondContact O-NE 3.1Å; F385-V420 HydrophobicContact CB-CG1 3.88Å; F385-V420 HydrophobicContact CD2-CG1 4.24Å; F385-V420 HydrophobicContact CG-CG1 4.37Å; F385-V421 WeakPolarHBondContact CB-O 3.41Å; F385-A422 HydrophobicContact CD1-CB 4.02Å; F385-A422 HydrophobicContact CE1-CB 3.8Å; F385-A422 HydrophobicContact CE2-CB 4.34Å; F385-A422 HydrophobicContact CG-CB 4.38Å; F385-A422 HydrophobicContact CZ-CB 3.96Å; F385-P423 HydrophobicContact CE1-CG 4.47Å; F385-Q426 HydrophobicContact CE1-CB 4.22Å; F385-Q426 HydrophobicContact CZ-CB 4.05Å; F385-A430 HydrophobicContact CD2-CB 4.28Å; F385-A430 HydrophobicContact CE2-CB 3.51Å; F385-A430 HydrophobicContact CZ-CB 3.87Å; F385-S458 VanDerWaalsContact CE2-O 3.27Å; F385-S458 WeakPolarHBondContact CE2-O 3.34Å; F385-S458 WeakPolarHBondContact CZ-O 3.1Å; F385-H459 AromaticContact CD1-CE1 3.7Å; F385-H459 AromaticContact CD1-ND1 3.77Å; F385-H459 AromaticContact CD2-CE1 3.65Å; F385-H459 AromaticContact CE1-CE1 3.6Å; F385-H459 AromaticContact CE1-ND1 3.18Å; F385-H459 WeakPolarHBondContact CE1-ND1 3.43Å; F385-H459 AromaticContact CE2-CE1 3.54Å; F385-H459 AromaticContact CE2-ND1 3.44Å; F385-H459 WeakPolarHBondContact CE2-ND1 3.48Å; F385-H459 AromaticContact CG-CE1 3.72Å; F385-H459 AromaticContact CZ-CE1 3.53Å; F385-H459 AromaticContact CZ-ND1 3Å; F385-H459 WeakPolarHBondContact CZ-ND1 3.43Å
386	E	95.2	Very high	81.8	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.8	169.3	-169.1	-172.4	-163.1	0	0	108.9	G345 L346 L347 P348 H365 Q366 V421	G345-E386 PolarHBondContact N-OE2 3.27Å; L346-E386 PolarHBondContact N-OE2 2.98Å; L347-E386 HydrophobicContact CB-CG 4.33Å; L347-E386 HydrophobicContact CD1-CG 3.94Å; L347-E386 HydrophobicContact CG-CG 4.14Å; P348-E386 WeakPolarHBondContact CD-OE1 3.38Å; H365-E386 IonicContact CD2-OE1 3.52Å; H365-E386 IonicContact CE1-OE1 3.36Å; H365-E386 IonicContact NE2-OE1 2.77Å; H365-E386 PolarHBondContact NE2-OE1 3.13Å; Q366-E386 WeakPolarHBondContact O-CA 3.47Å; E386-V421 HydrophobicContact CB-CB 4.31Å; E386-V421 PolarHBondContact O-N 3.47Å
387	R	95.8	Very high	82.1	Confident	28 Å²	28	45.3 Å²	45.3	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.6	-172.7	-67.1	165.6	-67.9	-172.5	7.4	113	L347 H365 Q366 D383 F385 L419 V420 W434	L347-R387 VanDerWaalsContact CD1-CA 3.41Å; H365-R387 CarbonylContact C-O 3.6Å; H365-R387 WeakPolarHBondContact CA-O 3.48Å; Q366-R387 PolarHBondContact N-O 3.04Å; Q366-R387 PolarHBondContact O-N 3.21Å; D383-R387 VanDerWaalsContact O-CZ 3.24Å; D383-R387 PolarHBondContact O-NH1 3.12Å; D383-R387 PolarHBondContact O-NH2 3.08Å; D383-R387 WeakPolarHBondContact OD1-CD 3.5Å; D383-R387 IonicContact OD1-CZ 3.19Å; D383-R387 IonicContact OD1-NE 2.71Å; D383-R387 PolarHBondContact OD1-NE 3.3Å; D383-R387 IonicContact OD1-NH1 2.86Å; D383-R387 PolarHBondContact OD1-NH1 3.17Å; D383-R387 IonicContact OD2-NH1 3.05Å; F385-R387 HydrophobicContact CB-CG 4.48Å; F385-R387 PolarHBondContact O-N 3.4Å; F385-R387 PolarHBondContact O-NE 3.1Å; R387-L419 CarbonylContact C-O 3.5Å; R387-L419 WeakPolarHBondContact CA-O 3.42Å; R387-V420 HydrophobicContact CG-CB 4.26Å; R387-V420 HydrophobicContact CG-CG1 3.96Å; R387-V420 HydrophobicContact CG-CG2 4.05Å; R387-W434 HydrophobicContact CG-CZ2 4.42Å
388	S	97.3	Very high	82.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121	169.4	-72.2	0	0	0	0	110	Q364 L419	Q364-S388 WeakPolarHBondContact O-CA 3.38Å; S388-L419 PolarHBondContact N-O 3.49Å; S388-L419 PolarHBondContact O-N 3.19Å
389	F	97.3	Very high	81.8	Confident	38 Å²	38	49.3 Å²	49.3	17%	0.167	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.5	170.4	-57.2	-60.5	0	0	0	108.7	F244 H363 Q364 D418	F244-F389 HydrophobicContact CZ-CB 4.18Å; H363-F389 CarbonylContact C-O 3.09Å; H363-F389 VanDerWaalsContact CA-O 3.27Å; H363-F389 WeakPolarHBondContact CA-O 3.33Å; Q364-F389 PolarHBondContact N-O 3.44Å; Q364-F389 PolarHBondContact O-N 2.81Å; F389-D418 HydrophobicContact CD1-CB 4.44Å; F389-D418 WeakPolarHBondContact CD1-OD1 3.46Å; F389-D418 WeakPolarHBondContact CD1-OD2 3.42Å
390	C	98.3	Very high	81.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156	-169.8	-56.8	0	0	0	0	113.1	Y362 H363 F392 R416 V417	Y362-C390 CarbonylContact O-C 3.59Å; Y362-C390 VanDerWaalsContact O-CA 3.27Å; Y362-C390 WeakPolarHBondContact O-CA 3.24Å; H363-C390 HydrophobicContact CB-CB 4.44Å; C390-F392 HydrophobicContact CB-CD2 3.64Å; C390-F392 HydrophobicContact CB-CE2 3.45Å; C390-F392 VanDerWaalsContact CB-CE2 3.45Å; C390-R416 WeakPolarHBondContact O-CA 3.28Å; C390-R416 WeakPolarHBondContact O-CD 3.4Å; C390-R416 PolarHBondContact O-NH1 2.99Å; C390-V417 WeakPolarHBondContact CA-O 3.27Å; C390-V417 VanDerWaalsContact CB-O 3.29Å; C390-V417 WeakPolarHBondContact CB-O 3.49Å; C390-V417 PolarHBondContact N-O 2.93Å; C390-V417 PolarHBondContact O-N 3.37Å
391	I	98.6	Very high	81	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.4	157.5	-57	174.8	0	0	0	106.4	F244 A278 L286 L361 Y362 A414 V415	F244-I391 HydrophobicContact CD1-CD1 3.95Å; F244-I391 HydrophobicContact CD1-CG1 4.3Å; F244-I391 HydrophobicContact CE1-CD1 4.22Å; F244-I391 HydrophobicContact CE1-CG1 4.24Å; A278-I391 HydrophobicContact CB-CD1 3.93Å; L286-I391 HydrophobicContact CD1-CD1 4.03Å; L286-I391 HydrophobicContact CD1-CG1 4.49Å; L286-I391 HydrophobicContact CD2-CG2 4.32Å; L361-I391 HydrophobicContact CB-CB 4.27Å; L361-I391 HydrophobicContact CB-CG2 4.09Å; L361-I391 WeakPolarHBondContact CB-O 2.97Å; L361-I391 HydrophobicContact CD1-CG2 3.99Å; L361-I391 PolarHBondContact N-O 2.89Å; Y362-I391 HydrophobicContact CD1-CD1 4.45Å; Y362-I391 HydrophobicContact CD1-CG1 4.26Å; Y362-I391 HydrophobicContact CG-CD1 4.37Å; Y362-I391 HydrophobicContact CG-CG1 4.5Å; Y362-I391 PolarHBondContact N-O 3.06Å; Y362-I391 PolarHBondContact O-N 3.47Å; I391-A414 HydrophobicContact CG2-CB 3.75Å; I391-V415 CarbonylContact C-O 3.44Å; I391-V415 WeakPolarHBondContact CA-O 3.42Å
392	F	98.4	Very high	80.4	Confident	2 Å²	2	48 Å²	48	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.9	177.7	-83.5	-127.4	0	0	0	110.5	L298 V302 L354 L359 I360 C390 A414 V415 V417	L298-F392 HydrophobicContact CD2-CB 3.88Å; L298-F392 HydrophobicContact CD2-CD1 3.62Å; L298-F392 HydrophobicContact CD2-CE1 4.41Å; L298-F392 HydrophobicContact CD2-CG 3.99Å; V302-F392 HydrophobicContact CG2-CE1 4.06Å; V302-F392 HydrophobicContact CG2-CZ 4.08Å; L354-F392 HydrophobicContact CD1-CE1 4.05Å; L354-F392 HydrophobicContact CD1-CZ 3.66Å; L354-F392 HydrophobicContact CD2-CE1 4.03Å; L354-F392 HydrophobicContact CD2-CZ 4.48Å; L359-F392 CarbonylContact O-C 3.42Å; L359-F392 WeakPolarHBondContact O-CA 3.32Å; I360-F392 HydrophobicContact CD1-CD1 4.32Å; I360-F392 HydrophobicContact CD1-CD2 3.79Å; I360-F392 HydrophobicContact CD1-CE1 4.13Å; I360-F392 HydrophobicContact CD1-CE2 3.55Å; I360-F392 HydrophobicContact CD1-CG 4.18Å; I360-F392 HydrophobicContact CD1-CZ 3.76Å; C390-F392 HydrophobicContact CB-CD2 3.64Å; C390-F392 HydrophobicContact CB-CE2 3.45Å; C390-F392 VanDerWaalsContact CB-CE2 3.45Å; F392-A414 CarbonylContact O-C 3.54Å; F392-A414 VanDerWaalsContact O-CA 3.29Å; F392-A414 WeakPolarHBondContact O-CA 3.39Å; F392-V415 PolarHBondContact N-O 3.26Å; F392-V415 PolarHBondContact O-N 3.47Å; F392-V417 HydrophobicContact CB-CG2 4.11Å; F392-V417 HydrophobicContact CD1-CG2 4.39Å; F392-V417 HydrophobicContact CD2-CB 3.58Å; F392-V417 HydrophobicContact CD2-CG1 4.34Å; F392-V417 HydrophobicContact CD2-CG2 3.57Å; F392-V417 HydrophobicContact CE2-CB 3.61Å; F392-V417 HydrophobicContact CE2-CG1 3.91Å; F392-V417 HydrophobicContact CE2-CG2 4.01Å; F392-V417 HydrophobicContact CG-CB 4.3Å; F392-V417 HydrophobicContact CG-CG2 3.78Å; F392-V417 HydrophobicContact CZ-CB 4.33Å; F392-V417 HydrophobicContact CZ-CG1 4.2Å
393	R	97.7	Very high	80	Confident	104 Å²	104	46 Å²	46	39%	0.392	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	99.6	163.2	179	178.4	-174.4	-174.3	-2.6	107.6	L359 L361 P395 W412	L359-R393 PolarHBondContact O-N 3.48Å; L361-R393 HydrophobicContact CD1-CB 4.02Å; L361-R393 HydrophobicContact CD2-CB 4.03Å; L361-R393 HydrophobicContact CG-CB 3.86Å; R393-P395 WeakPolarHBondContact O-CD 3.42Å; R393-W412 HydrophobicContact CB-CE3 4.31Å; R393-W412 HydrophobicContact CG-CB 3.86Å; R393-W412 HydrophobicContact CG-CD2 3.63Å; R393-W412 HydrophobicContact CG-CE3 3.69Å; R393-W412 HydrophobicContact CG-CG 3.71Å; R393-W412 HydrophobicContact CG-CZ3 4.47Å
394	L	96.3	Very high	78.6	Confident	10 Å²	10	50 Å²	50	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113	178.8	179.4	62.5	0	0	0	110	D294 A297 L298 W412 K413 V415	D294-L394 HydrophobicContact CB-CD2 3.58Å; A297-L394 HydrophobicContact CB-CD1 3.89Å; L298-L394 HydrophobicContact CD1-CD2 4.37Å; L298-L394 HydrophobicContact CD2-CB 4.48Å; L298-L394 HydrophobicContact CD2-CD1 4.06Å; L298-L394 HydrophobicContact CG-CD1 4.09Å; L298-L394 HydrophobicContact CG-CD2 4.27Å; L394-W412 CarbonylContact O-C 3.58Å; L394-W412 WeakPolarHBondContact O-CA 3.06Å; L394-W412 VanDerWaalsContact O-CB 3.28Å; L394-W412 WeakPolarHBondContact O-CB 3.41Å; L394-K413 HydrophobicContact CB-CG 4.41Å; L394-K413 PolarHBondContact N-O 3.01Å; L394-K413 PolarHBondContact O-N 3.46Å; L394-V415 HydrophobicContact CB-CG2 3.97Å; L394-V415 HydrophobicContact CD2-CG2 3.9Å
395	P	93	Very high	76.7	Confident	82 Å²	82	53.7 Å²	53.7	53%	0.532	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	142.7	173.8	-24.7	35.7	0	0	0	111.5	R393 S411	R393-P395 WeakPolarHBondContact O-CD 3.42Å; P395-S411 WeakPolarHBondContact CA-O 3.22Å
396	Q	86.2	Confident	74.3	Confident	41 Å²	41	60.5 Å²	60.5	19%	0.192	41%	0.414	C	S	.	.			trans	-112.7	140.5	175.9	-65.7	-66.6	-80	0	0	109.1	S411 K413	Q396-S411 PolarHBondContact N-O 2.89Å; Q396-K413 HydrophobicContact CG-CB 4.33Å; Q396-K413 HydrophobicContact CG-CD 4.47Å; Q396-K413 HydrophobicContact CG-CG 4.17Å
397	P	73.4	Confident	72	Confident	86 Å²	86	68.6 Å²	68.6	56%	0.558	45%	0.445	S	S	*	.			trans	-62	139.4	177.3	25.2	-32.2	0	0	0	110.1	G399 A400	P397-G399 PolarHBondContact O-N 3.26Å; P397-G399 VanDerWaalsContact O-N 3.09Å; P397-A400 HydrophobicContact CG-CB 4.43Å; P397-A400 PolarHBondContact O-N 2.84Å
398	P	60.2	Low	69.8	Low	141 Å²	141	73.2 Å²	73.2	92%	0.916	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	116.5	175.2	20.1	-26.1	0	0	0	109.6
399	G	55.9	Low	67.8	Low	68 Å²	68	76.6 Å²	76.6	70%	0.701	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.3	4.6	176.2	0	0	0	0	0	116.8	P397 A401	P397-G399 PolarHBondContact O-N 3.26Å; P397-G399 VanDerWaalsContact O-N 3.09Å; G399-A401 PolarHBondContact O-N 2.84Å
400	A	51	Low	66.2	Low	41 Å²	41	77.5 Å²	77.5	34%	0.339	52%	0.516	S	S	.	.			trans	-71.9	70	169.9	0	0	0	0	0	111.1	P397 V402 C409	P397-A400 HydrophobicContact CG-CB 4.43Å; P397-A400 PolarHBondContact O-N 2.84Å; A400-V402 PolarHBondContact O-N 3.3Å; A400-C409 PolarHBondContact O-SG 3.48Å
401	A	45.2	Very low	65.5	Low	89 Å²	89	81.5 Å²	81.5	74%	0.736	54%	0.543	S	S	*	.			trans	-79.6	97.1	171.3	0	0	0	0	0	108.3	G399 G403	G399-A401 PolarHBondContact O-N 2.84Å; A401-G403 PolarHBondContact O-N 3.2Å
402	V	46.3	Very low	65.3	Low	143 Å²	143	84.5 Å²	84.5	87%	0.867	56%	0.555	S	S	*	*			trans	-81.9	105.9	165.7	-178.1	0	0	0	0	107.4	A400	A400-V402 PolarHBondContact O-N 3.3Å
403	G	46.9	Very low	65.1	Low	65 Å²	65	85.8 Å²	85.8	67%	0.67	56%	0.56	S	S	*	*	S	Bend	trans	65.7	87.2	162.4	0	0	0	0	0	116.5	A401 S405	A401-G403 PolarHBondContact O-N 3.2Å; G403-S405 PolarHBondContact O-N 3.49Å
404	G	42.3	Very low	65.1	Low	89 Å²	89	81 Å²	81	92%	0.918	54%	0.542	S	S	*	.	S	Bend	trans	60.1	1.1	146.9	0	0	0	0	0	120
405	S	43.5	Very low	65.2	Low	83 Å²	83	80.6 Å²	80.6	58%	0.58	54%	0.541	S	S	*	.			trans	-92.2	119.6	179.6	-170.3	0	0	0	0	111.1	G403 R407	G403-S405 PolarHBondContact O-N 3.49Å; S405-R407 PolarHBondContact O-N 2.75Å
406	T	40.8	Very low	65.5	Low	150 Å²	150	77.7 Å²	77.7	92%	0.92	52%	0.519	S	S	*	.			trans	-72.9	42.4	175.8	41.3	0	0	0	0	113.4
407	R	46.7	Very low	66.1	Low	181 Å²	181	75.7 Å²	75.7	68%	0.683	51%	0.51	S	S	*	.	S	Bend	trans	-109.1	142.7	171.6	-75.9	-175.3	176	176.5	-1	110.2	S405 C409	S405-R407 PolarHBondContact O-N 2.75Å; R407-C409 PolarHBondContact O-N 2.86Å; R407-C409 VanDerWaalsContact O-N 3.11Å
408	P	51.2	Low	67.3	Low	125 Å²	125	72.2 Å²	72.2	81%	0.812	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-53.4	123.2	174.4	-16	25.9	0	0	0	108.6	A410	P408-A410 PolarHBondContact O-N 3.46Å; P408-A410 VanDerWaalsContact O-N 3.13Å
409	C	54.3	Low	69.1	Low	71 Å²	71	65.5 Å²	65.5	48%	0.48	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-58.7	120.4	171.4	-168.2	0	0	0	0	106.5	A400 R407 S411	A400-C409 PolarHBondContact O-SG 3.48Å; R407-C409 PolarHBondContact O-N 2.86Å; R407-C409 VanDerWaalsContact O-N 3.11Å; C409-S411 PolarHBondContact O-N 3.2Å
410	A	63.5	Low	71.1	Confident	57 Å²	57	62.3 Å²	62.3	47%	0.471	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57.1	134.7	175.5	0	0	0	0	0	107.7	P408 W412	P408-A410 PolarHBondContact O-N 3.46Å; P408-A410 VanDerWaalsContact O-N 3.13Å; A410-W412 WeakPolarHBondContact CB-O 3.48Å; A410-W412 PolarHBondContact O-N 2.72Å
411	S	84.5	Confident	73.3	Confident	83 Å²	83	60.6 Å²	60.6	58%	0.58	40%	0.395	S	S	*	.	S	Bend	trans	-65.4	-1.5	-177.6	54.1	0	0	0	0	113.8	P395 Q396 C409	P395-S411 WeakPolarHBondContact CA-O 3.22Å; Q396-S411 PolarHBondContact N-O 2.89Å; C409-S411 PolarHBondContact O-N 3.2Å
412	W	93.5	Very high	75.8	Confident	64 Å²	64	56.3 Å²	56.3	24%	0.242	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	164.2	178.8	61.1	-84.1	0	0	0	109.5	L361 R393 L394 A410 A414	L361-W412 HydrophobicContact CD1-CE3 4.2Å; L361-W412 HydrophobicContact CD1-CH2 3.9Å; L361-W412 HydrophobicContact CD1-CZ3 3.41Å; L361-W412 VanDerWaalsContact CD1-CZ3 3.41Å; L361-W412 HydrophobicContact CD2-CH2 4.38Å; R393-W412 HydrophobicContact CB-CE3 4.31Å; R393-W412 HydrophobicContact CG-CB 3.86Å; R393-W412 HydrophobicContact CG-CD2 3.63Å; R393-W412 HydrophobicContact CG-CE3 3.69Å; R393-W412 HydrophobicContact CG-CG 3.71Å; R393-W412 HydrophobicContact CG-CZ3 4.47Å; L394-W412 CarbonylContact O-C 3.58Å; L394-W412 WeakPolarHBondContact O-CA 3.06Å; L394-W412 VanDerWaalsContact O-CB 3.28Å; L394-W412 WeakPolarHBondContact O-CB 3.41Å; A410-W412 WeakPolarHBondContact CB-O 3.48Å; A410-W412 PolarHBondContact O-N 2.72Å; W412-A414 HydrophobicContact CZ3-CB 4.09Å
413	K	95.4	Very high	78.2	Confident	29 Å²	29	50.6 Å²	50.6	13%	0.126	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.2	168	70.2	-179.4	-179.7	-171.4	0	111.3	D285 D294 L394 Q396 V415	D285-K413 WeakPolarHBondContact OD2-CA 3.39Å; D294-K413 WeakPolarHBondContact OD1-CE 3.29Å; D294-K413 IonicContact OD1-NZ 3.45Å; D294-K413 PolarHBondContact OD1-NZ 2.91Å; D294-K413 WeakPolarHBondContact OD2-CE 3.35Å; D294-K413 IonicContact OD2-NZ 3.67Å; D294-K413 PolarHBondContact OD2-NZ 3.09Å; L394-K413 HydrophobicContact CB-CG 4.41Å; L394-K413 PolarHBondContact N-O 3.01Å; L394-K413 PolarHBondContact O-N 3.46Å; Q396-K413 HydrophobicContact CG-CB 4.33Å; Q396-K413 HydrophobicContact CG-CD 4.47Å; Q396-K413 HydrophobicContact CG-CG 4.17Å; K413-V415 HydrophobicContact CD-CG2 4.35Å; K413-V415 HydrophobicContact CG-CG2 3.93Å
414	A	97.9	Very high	80.5	Confident	2 Å²	2	50.4 Å²	50.4	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.2	172.5	0	0	0	0	0	110.6	H282 D285 L286 L361 I391 F392 W412	H282-A414 HydrophobicContact CB-CB 3.75Å; D285-A414 HydrophobicContact CB-CB 3.73Å; D285-A414 PolarHBondContact OD2-N 3.01Å; L286-A414 HydrophobicContact CD2-CB 4.18Å; L361-A414 HydrophobicContact CD1-CB 3.94Å; I391-A414 HydrophobicContact CG2-CB 3.75Å; F392-A414 CarbonylContact O-C 3.54Å; F392-A414 VanDerWaalsContact O-CA 3.29Å; F392-A414 WeakPolarHBondContact O-CA 3.39Å; W412-A414 HydrophobicContact CZ3-CB 4.09Å
415	V	98.3	Very high	83.1	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.9	176	-176.1	0	0	0	0	110.3	V290 L298 V331 I391 F392 L394 K413 V417	V290-V415 HydrophobicContact CG1-CG1 4.09Å; V290-V415 HydrophobicContact CG2-CG1 3.66Å; L298-V415 HydrophobicContact CD1-CB 4.01Å; L298-V415 HydrophobicContact CD1-CG1 3.55Å; L298-V415 HydrophobicContact CD1-CG2 4.44Å; V331-V415 HydrophobicContact CG2-CG1 4.31Å; I391-V415 CarbonylContact C-O 3.44Å; I391-V415 WeakPolarHBondContact CA-O 3.42Å; F392-V415 PolarHBondContact N-O 3.26Å; F392-V415 PolarHBondContact O-N 3.47Å; L394-V415 HydrophobicContact CB-CG2 3.97Å; L394-V415 HydrophobicContact CD2-CG2 3.9Å; K413-V415 HydrophobicContact CD-CG2 4.35Å; K413-V415 HydrophobicContact CG-CG2 3.93Å; V415-V417 HydrophobicContact CG1-CG2 4.44Å
416	R	98.4	Very high	85.5	Confident	21 Å²	21	46.9 Å²	46.9	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.9	172.8	-84.4	-80.6	-60.8	126.6	4.7	110	F244 L286 D330 V331 C390 D418	F244-R416 VanDerWaalsContact CD2-NE 3.26Å; L286-R416 HydrophobicContact CD1-CG 4.04Å; L286-R416 HydrophobicContact CD2-CB 4.39Å; L286-R416 HydrophobicContact CD2-CG 3.68Å; L286-R416 HydrophobicContact CG-CG 4.41Å; D330-R416 CarbonylContact C-O 3.55Å; D330-R416 VanDerWaalsContact CA-O 3.29Å; D330-R416 WeakPolarHBondContact CA-O 3.29Å; D330-R416 HydrophobicContact CB-CB 3.63Å; V331-R416 PolarHBondContact N-O 3.49Å; C390-R416 WeakPolarHBondContact O-CA 3.28Å; C390-R416 WeakPolarHBondContact O-CD 3.4Å; C390-R416 PolarHBondContact O-NH1 2.99Å; R416-D418 IonicContact CZ-OD1 3.9Å; R416-D418 IonicContact NH1-OD1 2.73Å; R416-D418 PolarHBondContact NH1-OD1 3.42Å; R416-D418 IonicContact NH2-OD1 3.74Å; R416-D418 PolarHBondContact NH2-OD1 3.39Å; R416-D418 IonicContact NH2-OD2 2.75Å; R416-D418 PolarHBondContact NH2-OD2 2.73Å
417	V	98.6	Very high	88.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	177.5	-176.7	0	0	0	0	109	L298 V331 F333 C390 F392 V415 L419	L298-V417 HydrophobicContact CD1-CG2 3.93Å; L298-V417 HydrophobicContact CD2-CG2 4.04Å; L298-V417 HydrophobicContact CG-CG2 4.49Å; V331-V417 HydrophobicContact CB-CG2 4.48Å; V331-V417 CarbonylContact O-C 3.58Å; V331-V417 VanDerWaalsContact O-CA 3.26Å; V331-V417 WeakPolarHBondContact O-CA 3.32Å; F333-V417 HydrophobicContact CD2-CG1 3.76Å; F333-V417 HydrophobicContact CE2-CG1 3.96Å; C390-V417 WeakPolarHBondContact CA-O 3.27Å; C390-V417 VanDerWaalsContact CB-O 3.29Å; C390-V417 WeakPolarHBondContact CB-O 3.49Å; C390-V417 PolarHBondContact N-O 2.93Å; C390-V417 PolarHBondContact O-N 3.37Å; F392-V417 HydrophobicContact CB-CG2 4.11Å; F392-V417 HydrophobicContact CD1-CG2 4.39Å; F392-V417 HydrophobicContact CD2-CB 3.58Å; F392-V417 HydrophobicContact CD2-CG1 4.34Å; F392-V417 HydrophobicContact CD2-CG2 3.57Å; F392-V417 HydrophobicContact CE2-CB 3.61Å; F392-V417 HydrophobicContact CE2-CG1 3.91Å; F392-V417 HydrophobicContact CE2-CG2 4.01Å; F392-V417 HydrophobicContact CG-CB 4.3Å; F392-V417 HydrophobicContact CG-CG2 3.78Å; F392-V417 HydrophobicContact CZ-CB 4.33Å; F392-V417 HydrophobicContact CZ-CG1 4.2Å; V415-V417 HydrophobicContact CG1-CG2 4.44Å; V417-L419 HydrophobicContact CG1-CD2 3.81Å; V417-L419 HydrophobicContact CG1-CG 4.41Å
418	D	98.4	Very high	90.7	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.2	176.5	-72.1	-7.5	0	0	0	109.6	V331 F333 F389 R416 W434	V331-D418 PolarHBondContact O-N 3.01Å; F333-D418 PolarHBondContact N-O 3.04Å; F389-D418 HydrophobicContact CD1-CB 4.44Å; F389-D418 WeakPolarHBondContact CD1-OD1 3.46Å; F389-D418 WeakPolarHBondContact CD1-OD2 3.42Å; R416-D418 IonicContact CZ-OD1 3.9Å; R416-D418 IonicContact NH1-OD1 2.73Å; R416-D418 PolarHBondContact NH1-OD1 3.42Å; R416-D418 IonicContact NH2-OD1 3.74Å; R416-D418 PolarHBondContact NH2-OD1 3.39Å; R416-D418 IonicContact NH2-OD2 2.75Å; R416-D418 PolarHBondContact NH2-OD2 2.73Å; D418-W434 HydrophobicContact CB-CZ3 4.07Å
419	L	98.6	Very high	92.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.7	178.5	-54.4	-177.9	0	0	0	109	V302 F333 I335 L347 V350 M351 L354 R387 S388 V417	V302-L419 HydrophobicContact CG1-CD2 3.97Å; V302-L419 HydrophobicContact CG2-CD2 4.11Å; F333-L419 HydrophobicContact CB-CD2 3.91Å; F333-L419 HydrophobicContact CD2-CD2 3.85Å; F333-L419 HydrophobicContact CG-CD2 4.35Å; I335-L419 HydrophobicContact CD1-CB 4.39Å; L347-L419 HydrophobicContact CD1-CB 4.49Å; L347-L419 HydrophobicContact CD2-CB 3.9Å; L347-L419 HydrophobicContact CD2-CD1 4.35Å; V350-L419 HydrophobicContact CG1-CD1 4.43Å; M351-L419 HydrophobicContact SD-CD1 4.07Å; L354-L419 HydrophobicContact CD1-CD1 4.46Å; R387-L419 CarbonylContact C-O 3.5Å; R387-L419 WeakPolarHBondContact CA-O 3.42Å; S388-L419 PolarHBondContact N-O 3.49Å; S388-L419 PolarHBondContact O-N 3.19Å; V417-L419 HydrophobicContact CG1-CD2 3.81Å; V417-L419 HydrophobicContact CG1-CG 4.41Å
420	V	98.1	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.2	-178.6	-173.8	0	0	0	0	108.2	F333 L334 I335 F385 R387 W434	F333-V420 PolarHBondContact O-N 3.46Å; L334-V420 CarbonylContact C-O 3.55Å; L334-V420 HydrophobicContact CD1-CB 3.88Å; L334-V420 HydrophobicContact CD1-CG1 3.77Å; I335-V420 PolarHBondContact N-O 2.93Å; F385-V420 HydrophobicContact CB-CG1 3.88Å; F385-V420 HydrophobicContact CD2-CG1 4.24Å; F385-V420 HydrophobicContact CG-CG1 4.37Å; R387-V420 HydrophobicContact CG-CB 4.26Å; R387-V420 HydrophobicContact CG-CG1 3.96Å; R387-V420 HydrophobicContact CG-CG2 4.05Å; V420-W434 HydrophobicContact CB-CZ2 4.34Å; V420-W434 HydrophobicContact CG1-CZ2 4.21Å; V420-W434 HydrophobicContact CG2-CD2 3.61Å; V420-W434 HydrophobicContact CG2-CE3 3.65Å; V420-W434 HydrophobicContact CG2-CH2 3.24Å; V420-W434 HydrophobicContact CG2-CZ2 3.21Å; V420-W434 HydrophobicContact CG2-CZ3 3.46Å; V420-W434 VanDerWaalsContact CG2-CZ3 3.46Å
421	V	97.9	Very high	96.6	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.03	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.7	175	-176.5	0	0	0	0	109.4	I335 E343 L346 L347 F385 E386	I335-V421 HydrophobicContact CB-CG2 4.13Å; I335-V421 HydrophobicContact CD1-CG2 4.43Å; I335-V421 WeakPolarHBondContact O-CA 3.05Å; E343-V421 HydrophobicContact CB-CG1 3.56Å; E343-V421 HydrophobicContact CG-CG1 3.67Å; E343-V421 WeakPolarHBondContact O-CG1 3.25Å; L346-V421 HydrophobicContact CB-CG2 4.35Å; L346-V421 HydrophobicContact CD2-CG2 4.36Å; L347-V421 HydrophobicContact CD1-CG2 4.16Å; L347-V421 HydrophobicContact CD2-CG2 3.5Å; L347-V421 HydrophobicContact CG-CG2 3.51Å; F385-V421 WeakPolarHBondContact CB-O 3.41Å; E386-V421 HydrophobicContact CB-CB 4.31Å; E386-V421 PolarHBondContact O-N 3.47Å
422	A	96.4	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.			trans	-124.2	141.4	176.9	0	0	0	0	0	111.1	L334 I335 T336 F385 A430	L334-A422 HydrophobicContact CD1-CB 3.97Å; I335-A422 PolarHBondContact O-N 3.33Å; T336-A422 VanDerWaalsContact CB-O 3.24Å; T336-A422 WeakPolarHBondContact CB-O 3.37Å; T336-A422 PolarHBondContact OG1-O 3.47Å; F385-A422 HydrophobicContact CD1-CB 4.02Å; F385-A422 HydrophobicContact CE1-CB 3.8Å; F385-A422 HydrophobicContact CE2-CB 4.34Å; F385-A422 HydrophobicContact CG-CB 4.38Å; F385-A422 HydrophobicContact CZ-CB 3.96Å; A422-A430 HydrophobicContact CB-CB 3.71Å
423	P	96	Very high	97.4	Very high	22 Å²	22	15.2 Å²	15.2	14%	0.143	8%	0.081	C	C	.	.			trans	-58.3	147.2	168.2	22.6	-29.7	0	0	0	110.7	E340 E343 F385 S425 Q426 F427	E340-P423 VanDerWaalsContact OE1-CB 3.28Å; E340-P423 WeakPolarHBondContact OE1-CB 3.24Å; E343-P423 WeakPolarHBondContact OE1-CA 3.23Å; E343-P423 WeakPolarHBondContact OE1-CB 3.31Å; F385-P423 HydrophobicContact CE1-CG 4.47Å; P423-S425 PolarHBondContact O-N 3.1Å; P423-Q426 HydrophobicContact CG-CB 4Å; P423-Q426 HydrophobicContact CG-CG 3.91Å; P423-Q426 CarbonylContact O-C 3.5Å; P423-Q426 PolarHBondContact O-N 3.35Å; P423-F427 PolarHBondContact O-N 3.13Å
424	I	97.2	Very high	97.5	Very high	61 Å²	61	15 Å²	15	31%	0.313	8%	0.079	S	C	.	.	G	3₁₀ helix	trans	-61.1	-33.4	-175.1	-173.5	64.2	0	0	0	111.8	T336 H337 E340 Q426 F427	T336-I424 HydrophobicContact CG2-CD1 3.9Å; T336-I424 WeakPolarHBondContact OG1-CA 3.46Å; T336-I424 PolarHBondContact OG1-N 2.9Å; H337-I424 WeakPolarHBondContact O-CB 3.3Å; E340-I424 HydrophobicContact CB-CG2 4.17Å; E340-I424 WeakPolarHBondContact OE2-CG2 3.38Å; E340-I424 PolarHBondContact OE2-N 3.32Å; I424-Q426 PolarHBondContact O-N 2.82Å; I424-F427 HydrophobicContact CD1-CB 4.2Å; I424-F427 WeakPolarHBondContact O-CB 3.41Å; I424-F427 PolarHBondContact O-N 3.3Å
425	S	95.1	Very high	97.6	Very high	47 Å²	47	15 Å²	15	33%	0.329	8%	0.079	S	C	.	.	G	3₁₀ helix	trans	-61	-27.3	174.3	67.8	0	0	0	0	114.3	E340 P423	E340-S425 WeakPolarHBondContact OE1-CB 3.31Å; E340-S425 PolarHBondContact OE1-OG 3.13Å; E340-S425 WeakPolarHBondContact OE2-CB 3.23Å; E340-S425 PolarHBondContact OE2-N 3.36Å; E340-S425 PolarHBondContact OE2-OG 2.77Å; P423-S425 PolarHBondContact O-N 3.1Å
426	Q	95.6	Very high	97.5	Very high	51 Å²	51	15.2 Å²	15.2	24%	0.238	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-106.9	-4.7	179.7	-56.9	-174.6	-3.3	0	0	112.9	F385 P423 I424 F429 A430 H459	F385-Q426 HydrophobicContact CE1-CB 4.22Å; F385-Q426 HydrophobicContact CZ-CB 4.05Å; P423-Q426 HydrophobicContact CG-CB 4Å; P423-Q426 HydrophobicContact CG-CG 3.91Å; P423-Q426 CarbonylContact O-C 3.5Å; P423-Q426 PolarHBondContact O-N 3.35Å; I424-Q426 PolarHBondContact O-N 2.82Å; Q426-F429 PolarHBondContact O-N 3.01Å; Q426-A430 PolarHBondContact O-N 3.3Å; Q426-H459 WeakPolarHBondContact CG-O 3.25Å; Q426-H459 PolarHBondContact OE1-ND1 2.91Å
427	F	97.5	Very high	97.5	Very high	30 Å²	30	14.6 Å²	14.6	13%	0.132	8%	0.081	C	C	.	.	H	α-helix	trans	-54.2	-42.7	-174.4	179.8	-93.9	0	0	0	113.5	T316 L334 T336 P423 I424 F429 A430 L431	T316-F427 HydrophobicContact CG2-CZ 4.46Å; L334-F427 HydrophobicContact CB-CE2 4.37Å; L334-F427 HydrophobicContact CD2-CD2 3.59Å; L334-F427 HydrophobicContact CD2-CE2 3.41Å; L334-F427 VanDerWaalsContact CD2-CE2 3.41Å; L334-F427 HydrophobicContact CD2-CG 4.38Å; L334-F427 HydrophobicContact CD2-CZ 4.03Å; L334-F427 HydrophobicContact CG-CD2 3.91Å; L334-F427 HydrophobicContact CG-CE2 3.6Å; T336-F427 HydrophobicContact CG2-CD2 3.41Å; T336-F427 VanDerWaalsContact CG2-CD2 3.41Å; T336-F427 HydrophobicContact CG2-CE2 3.6Å; T336-F427 HydrophobicContact CG2-CG 3.99Å; T336-F427 HydrophobicContact CG2-CZ 4.36Å; P423-F427 PolarHBondContact O-N 3.13Å; I424-F427 HydrophobicContact CD1-CB 4.2Å; I424-F427 WeakPolarHBondContact O-CB 3.41Å; I424-F427 PolarHBondContact O-N 3.3Å; F427-F429 VanDerWaalsContact C-N 3.31Å; F427-F429 PolarHBondContact O-N 3.47Å; F427-A430 PolarHBondContact O-N 3.22Å; F427-L431 HydrophobicContact CE1-CB 4.4Å; F427-L431 HydrophobicContact CE1-CD2 3.97Å; F427-L431 HydrophobicContact CZ-CD2 4.47Å; F427-L431 VanDerWaalsContact O-CB 3.25Å; F427-L431 WeakPolarHBondContact O-CB 3.44Å; F427-L431 PolarHBondContact O-N 2.59Å
428	P	98.3	Very high	97.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.032	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-35.4	177.8	-25	36.4	0	0	0	113.8	L432 V472 I478	P428-L432 VanDerWaalsContact O-CB 3.28Å; P428-L432 WeakPolarHBondContact O-CB 3.49Å; P428-L432 PolarHBondContact O-N 3.21Å; P428-V472 HydrophobicContact CB-CG2 3.89Å; P428-V472 HydrophobicContact CG-CG2 4.1Å; P428-I478 HydrophobicContact CB-CD1 4.19Å
429	F	97.4	Very high	97.4	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-72.2	-41.1	176.4	-59.5	-72.8	0	0	0	111.7	Q426 F427 L432 G433 L456 S458 L461 V472 I478	Q426-F429 PolarHBondContact O-N 3.01Å; F427-F429 VanDerWaalsContact C-N 3.31Å; F427-F429 PolarHBondContact O-N 3.47Å; F429-L432 PolarHBondContact O-N 2.69Å; F429-G433 PolarHBondContact O-N 3.42Å; F429-L456 HydrophobicContact CD1-CD1 3.98Å; F429-L456 HydrophobicContact CE1-CD1 4.23Å; F429-S458 CarbonylContact C-O 3.54Å; F429-S458 VanDerWaalsContact C-O 3.25Å; F429-S458 VanDerWaalsContact CB-O 3.32Å; F429-S458 WeakPolarHBondContact CB-O 3.27Å; F429-L461 HydrophobicContact CE1-CB 3.67Å; F429-L461 HydrophobicContact CZ-CB 4.06Å; F429-V472 HydrophobicContact CD2-CG2 3.9Å; F429-V472 HydrophobicContact CE1-CG1 4.44Å; F429-V472 HydrophobicContact CE1-CG2 3.92Å; F429-V472 HydrophobicContact CE2-CG2 3.24Å; F429-V472 HydrophobicContact CG-CG2 4.5Å; F429-V472 HydrophobicContact CZ-CB 4.22Å; F429-V472 HydrophobicContact CZ-CG1 3.9Å; F429-V472 HydrophobicContact CZ-CG2 3.25Å; F429-I478 HydrophobicContact CD1-CD1 3.47Å; F429-I478 VanDerWaalsContact CD1-CD1 3.47Å; F429-I478 HydrophobicContact CD1-CG1 4Å; F429-I478 HydrophobicContact CE1-CD1 3.77Å; F429-I478 HydrophobicContact CE1-CG1 3.73Å; F429-I478 HydrophobicContact CE1-CG2 4.38Å; F429-I478 HydrophobicContact CG-CD1 4.14Å; F429-I478 HydrophobicContact CZ-CG1 4.48Å
430	A	97	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-46.8	175.7	0	0	0	0	0	110.4	L334 F385 A422 Q426 F427 L432 G433 W434 S458	L334-A430 HydrophobicContact CD1-CB 3.91Å; L334-A430 HydrophobicContact CD2-CB 3.83Å; F385-A430 HydrophobicContact CD2-CB 4.28Å; F385-A430 HydrophobicContact CE2-CB 3.51Å; F385-A430 HydrophobicContact CZ-CB 3.87Å; A422-A430 HydrophobicContact CB-CB 3.71Å; Q426-A430 PolarHBondContact O-N 3.3Å; F427-A430 PolarHBondContact O-N 3.22Å; A430-L432 PolarHBondContact O-N 3.32Å; A430-G433 PolarHBondContact O-N 2.73Å; A430-W434 WeakPolarHBondContact O-CB 3.38Å; A430-W434 VanDerWaalsContact O-CD1 3.3Å; A430-W434 PolarHBondContact O-N 3.32Å; A430-S458 WeakPolarHBondContact CA-O 3.42Å; A430-S458 PolarHBondContact N-O 3.19Å; A430-S458 VanDerWaalsContact N-O 3.09Å
431	L	98.6	Very high	97.4	Very high	18 Å²	18	23.2 Å²	23.2	9%	0.094	12%	0.118	C	C	.	.	H	α-helix	trans	-59.3	-48.4	177.4	-177.5	61	0	0	0	110.7	T316 L334 F427 G433 T435 E475	T316-L431 HydrophobicContact CG2-CD1 3.83Å; L334-L431 HydrophobicContact CD2-CB 3.79Å; L334-L431 HydrophobicContact CD2-CD1 4.28Å; L334-L431 VanDerWaalsContact CD2-N 3.35Å; F427-L431 HydrophobicContact CE1-CB 4.4Å; F427-L431 HydrophobicContact CE1-CD2 3.97Å; F427-L431 HydrophobicContact CZ-CD2 4.47Å; F427-L431 VanDerWaalsContact O-CB 3.25Å; F427-L431 WeakPolarHBondContact O-CB 3.44Å; F427-L431 PolarHBondContact O-N 2.59Å; L431-G433 PolarHBondContact O-N 3.42Å; L431-T435 WeakPolarHBondContact O-CB 3.41Å; L431-T435 PolarHBondContact O-N 2.99Å; L431-T435 PolarHBondContact O-OG1 3.02Å; L431-E475 HydrophobicContact CD2-CG 4.36Å
432	L	98.4	Very high	97.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-50.6	176.1	177.3	61.2	0	0	0	111.5	P428 F429 A430 T435 Q441 L444 E475 I478 F479	P428-L432 VanDerWaalsContact O-CB 3.28Å; P428-L432 WeakPolarHBondContact O-CB 3.49Å; P428-L432 PolarHBondContact O-N 3.21Å; F429-L432 PolarHBondContact O-N 2.69Å; A430-L432 PolarHBondContact O-N 3.32Å; L432-T435 PolarHBondContact O-N 3.14Å; L432-Q441 PolarHBondContact O-NE2 3.48Å; L432-L444 HydrophobicContact CD1-CD2 4.16Å; L432-L444 HydrophobicContact CD2-CD2 3.79Å; L432-L444 HydrophobicContact CG-CD2 4.2Å; L432-E475 WeakPolarHBondContact CA-OE1 3.45Å; L432-E475 HydrophobicContact CB-CG 4.33Å; L432-I478 HydrophobicContact CB-CD1 4.31Å; L432-I478 HydrophobicContact CD2-CB 4.3Å; L432-I478 HydrophobicContact CD2-CD1 3.68Å; L432-I478 HydrophobicContact CD2-CG2 3.8Å; L432-F479 HydrophobicContact CD1-CE2 4.03Å
433	G	96.9	Very high	97.4	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-51.3	-178.9	0	0	0	0	0	113	F429 A430 L431 T435 G436	F429-G433 PolarHBondContact O-N 3.42Å; A430-G433 PolarHBondContact O-N 2.73Å; L431-G433 PolarHBondContact O-N 3.42Å; G433-T435 VanDerWaalsContact C-N 3.32Å; G433-T435 PolarHBondContact O-N 2.87Å; G433-G436 PolarHBondContact O-N 3.08Å
434	W	97.6	Very high	97.5	Very high	26 Å²	26	26.1 Å²	26.1	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-73.8	-22.9	-178.2	-78.6	78.1	0	0	0	113	T318 G319 D332 D383 R387 D418 V420 A430 G436	T318-W434 HydrophobicContact CG2-CB 4.18Å; T318-W434 WeakPolarHBondContact OG1-CB 3.38Å; T318-W434 PolarHBondContact OG1-O 3.33Å; T318-W434 VanDerWaalsContact OG1-O 3.04Å; G319-W434 VanDerWaalsContact CA-O 3.29Å; G319-W434 WeakPolarHBondContact CA-O 3.47Å; G319-W434 PolarHBondContact N-O 3.48Å; G319-W434 VanDerWaalsContact N-O 3.14Å; D332-W434 HydrophobicContact CB-CE3 4.25Å; D383-W434 VanDerWaalsContact OD2-CE2 3.3Å; D383-W434 WeakPolarHBondContact OD2-CZ2 3.46Å; D383-W434 PolarHBondContact OD2-NE1 3.43Å; R387-W434 HydrophobicContact CG-CZ2 4.42Å; D418-W434 HydrophobicContact CB-CZ3 4.07Å; V420-W434 HydrophobicContact CB-CZ2 4.34Å; V420-W434 HydrophobicContact CG1-CZ2 4.21Å; V420-W434 HydrophobicContact CG2-CD2 3.61Å; V420-W434 HydrophobicContact CG2-CE3 3.65Å; V420-W434 HydrophobicContact CG2-CH2 3.24Å; V420-W434 HydrophobicContact CG2-CZ2 3.21Å; V420-W434 HydrophobicContact CG2-CZ3 3.46Å; V420-W434 VanDerWaalsContact CG2-CZ3 3.46Å; A430-W434 WeakPolarHBondContact O-CB 3.38Å; A430-W434 VanDerWaalsContact O-CD1 3.3Å; A430-W434 PolarHBondContact O-N 3.32Å; W434-G436 VanDerWaalsContact C-N 3.28Å; W434-G436 PolarHBondContact O-N 3.36Å
435	T	98.5	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67	-30.9	174.1	-64.5	0	0	0	0	111.9	T318 R322 R323 L431 L432 G433 P489	T318-T435 PolarHBondContact OG1-N 3.26Å; R322-T435 WeakPolarHBondContact CD-OG1 3.45Å; R322-T435 HydrophobicContact CG-CG2 4.4Å; R322-T435 PolarHBondContact NH1-OG1 3.14Å; R323-T435 WeakPolarHBondContact CD-O 3.19Å; R323-T435 HydrophobicContact CG-CG2 3.83Å; R323-T435 WeakPolarHBondContact CG-O 3.32Å; R323-T435 PolarHBondContact NH1-O 2.98Å; L431-T435 WeakPolarHBondContact O-CB 3.41Å; L431-T435 PolarHBondContact O-N 2.99Å; L431-T435 PolarHBondContact O-OG1 3.02Å; L432-T435 PolarHBondContact O-N 3.14Å; G433-T435 VanDerWaalsContact C-N 3.32Å; G433-T435 PolarHBondContact O-N 2.87Å; T435-P489 HydrophobicContact CG2-CB 3.93Å; T435-P489 HydrophobicContact CG2-CG 4.44Å
436	G	96.9	Very high	97.6	Very high	7 Å²	7	26.4 Å²	26.4	7%	0.072	12%	0.116	C	C	.	.			trans	67.5	-155.4	-179.3	0	0	0	0	0	114.1	G433 W434	G433-G436 PolarHBondContact O-N 3.08Å; W434-G436 VanDerWaalsContact C-N 3.28Å; W434-G436 PolarHBondContact O-N 3.36Å
437	S	97.8	Very high	97.8	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	11%	0.106	C	C	.	.			cis	-62.4	167.6	-5.1	84.3	0	0	0	0	112.9	L439 F440 Q441 R492 A494	S437-L439 VanDerWaalsContact C-N 3.27Å; S437-L439 PolarHBondContact O-N 3.24Å; S437-L439 PolarHBondContact OG-N 2.91Å; S437-F440 WeakPolarHBondContact O-CB 3.38Å; S437-F440 PolarHBondContact O-N 2.95Å; S437-F440 PolarHBondContact OG-N 3.21Å; S437-F440 VanDerWaalsContact OG-N 3.12Å; S437-Q441 WeakPolarHBondContact O-CG 3.39Å; S437-Q441 PolarHBondContact O-N 2.79Å; S437-R492 VanDerWaalsContact CB-O 3.3Å; S437-R492 WeakPolarHBondContact CB-O 3.34Å; S437-R492 PolarHBondContact N-O 2.83Å; S437-R492 VanDerWaalsContact N-O 3.1Å; S437-A494 PolarHBondContact OG-O 3.41Å
438	K	96.8	Very high	97.8	Very high	168 Å²	168	23 Å²	23	73%	0.73	10%	0.1	S	C	*	.	H	α-helix	trans	-54.4	-44.2	176	-179.3	179.7	179.2	-179.4	0	111.6	R442	K438-R442 VanDerWaalsContact O-CG 3.29Å; K438-R442 WeakPolarHBondContact O-CG 3.45Å; K438-R442 PolarHBondContact O-N 3.24Å; K438-R442 VanDerWaalsContact O-N 3.15Å
439	L	98.1	Very high	97.7	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-71.5	-40	178.6	-177.5	64.1	0	0	0	111.6	L177 C180 R181 S184 S437 Q441 R442 E443 A494	L177-L439 HydrophobicContact CD1-CD1 4Å; C180-L439 HydrophobicContact CB-CD1 4.28Å; C180-L439 HydrophobicContact CB-CD2 4.22Å; C180-L439 WeakPolarHBondContact O-CD2 3.49Å; R181-L439 HydrophobicContact CG-CD1 4.29Å; S184-L439 WeakPolarHBondContact OG-CD2 3.21Å; S437-L439 VanDerWaalsContact C-N 3.27Å; S437-L439 PolarHBondContact O-N 3.24Å; S437-L439 PolarHBondContact OG-N 2.91Å; L439-Q441 VanDerWaalsContact C-N 3.34Å; L439-Q441 PolarHBondContact O-N 3.15Å; L439-R442 PolarHBondContact O-N 3.13Å; L439-E443 HydrophobicContact CD1-CG 4.07Å; L439-E443 HydrophobicContact CG-CG 4.33Å; L439-E443 WeakPolarHBondContact O-CB 3.44Å; L439-E443 WeakPolarHBondContact O-CG 3.31Å; L439-E443 PolarHBondContact O-N 3.3Å; L439-A494 HydrophobicContact CB-CB 4.47Å; L439-A494 HydrophobicContact CD2-CB 4.4Å
440	F	98.6	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-49.7	175.3	-174.2	-89.9	0	0	0	111.3	C143 S437 R442 E443 L444 F479 L487 R492 A494	C143-F440 HydrophobicContact CB-CE2 4.17Å; C143-F440 HydrophobicContact CB-CZ 4.09Å; S437-F440 WeakPolarHBondContact O-CB 3.38Å; S437-F440 PolarHBondContact O-N 2.95Å; S437-F440 PolarHBondContact OG-N 3.21Å; S437-F440 VanDerWaalsContact OG-N 3.12Å; F440-R442 PolarHBondContact O-N 3.32Å; F440-E443 PolarHBondContact O-N 2.89Å; F440-L444 HydrophobicContact CE1-CD2 4.11Å; F440-L444 VanDerWaalsContact O-CB 3.3Å; F440-L444 WeakPolarHBondContact O-CB 3.4Å; F440-L444 PolarHBondContact O-N 2.91Å; F440-F479 HydrophobicContact CE1-CZ 4.2Å; F440-F479 HydrophobicContact CZ-CE1 4.18Å; F440-F479 AromaticContact CZ-CZ 3.81Å; F440-F479 HydrophobicContact CZ-CZ 3.81Å; F440-L487 HydrophobicContact CE2-CD1 3.81Å; F440-L487 HydrophobicContact CZ-CD1 4.29Å; F440-R492 HydrophobicContact CB-CB 4.5Å; F440-R492 HydrophobicContact CD1-CB 4.2Å; F440-R492 HydrophobicContact CD1-CG 4.3Å; F440-R492 HydrophobicContact CD2-CB 3.83Å; F440-R492 HydrophobicContact CD2-CG 4.09Å; F440-R492 HydrophobicContact CE1-CB 4.42Å; F440-R492 HydrophobicContact CE1-CG 4.02Å; F440-R492 HydrophobicContact CE2-CB 4.05Å; F440-R492 HydrophobicContact CE2-CG 3.76Å; F440-R492 HydrophobicContact CG-CB 3.91Å; F440-R492 HydrophobicContact CG-CG 4.35Å; F440-R492 HydrophobicContact CZ-CB 4.36Å; F440-R492 HydrophobicContact CZ-CG 3.75Å; F440-A494 HydrophobicContact CB-CB 4.21Å
441	Q	98.1	Very high	97.6	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-41	178.7	-69.5	-59	-41.8	0	0	112.6	L432 S437 L439 E443 L444 R445	L432-Q441 PolarHBondContact O-NE2 3.48Å; S437-Q441 WeakPolarHBondContact O-CG 3.39Å; S437-Q441 PolarHBondContact O-N 2.79Å; L439-Q441 VanDerWaalsContact C-N 3.34Å; L439-Q441 PolarHBondContact O-N 3.15Å; Q441-E443 VanDerWaalsContact C-N 3.35Å; Q441-E443 PolarHBondContact O-N 3.32Å; Q441-L444 PolarHBondContact O-N 3.22Å; Q441-R445 WeakPolarHBondContact O-CB 3.29Å; Q441-R445 VanDerWaalsContact O-CG 3.25Å; Q441-R445 WeakPolarHBondContact O-CG 3.3Å; Q441-R445 PolarHBondContact O-N 3.48Å
442	R	96.9	Very high	97.6	Very high	85 Å²	85	43.9 Å²	43.9	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-59.6	-46.2	174.7	-73.8	176.7	79.2	171.4	11.5	111.5	K438 L439 F440 R446	K438-R442 VanDerWaalsContact O-CG 3.29Å; K438-R442 WeakPolarHBondContact O-CG 3.45Å; K438-R442 PolarHBondContact O-N 3.24Å; K438-R442 VanDerWaalsContact O-N 3.15Å; L439-R442 PolarHBondContact O-N 3.13Å; F440-R442 PolarHBondContact O-N 3.32Å; R442-R446 VanDerWaalsContact O-CB 3.27Å; R442-R446 WeakPolarHBondContact O-CB 3.26Å; R442-R446 PolarHBondContact O-N 2.9Å
443	E	98.3	Very high	97.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-73.7	-32.8	-178.6	-70.2	-67.4	109.4	0	0	112.5	A142 R181 L439 F440 Q441 R446 F447	A142-E443 HydrophobicContact CB-CB 3.79Å; A142-E443 HydrophobicContact CB-CG 3.89Å; R181-E443 IonicContact CZ-OE1 3.61Å; R181-E443 IonicContact NE-OE1 3.02Å; R181-E443 PolarHBondContact NE-OE1 3.24Å; R181-E443 IonicContact NE-OE2 3.32Å; R181-E443 IonicContact NH2-OE1 3.88Å; R181-E443 PolarHBondContact NH2-OE1 2.83Å; L439-E443 HydrophobicContact CD1-CG 4.07Å; L439-E443 HydrophobicContact CG-CG 4.33Å; L439-E443 WeakPolarHBondContact O-CB 3.44Å; L439-E443 WeakPolarHBondContact O-CG 3.31Å; L439-E443 PolarHBondContact O-N 3.3Å; F440-E443 PolarHBondContact O-N 2.89Å; Q441-E443 VanDerWaalsContact C-N 3.35Å; Q441-E443 PolarHBondContact O-N 3.32Å; E443-R446 PolarHBondContact O-N 3.23Å; E443-R446 IonicContact OE1-CZ 2.75Å; E443-R446 IonicContact OE1-NE 3.02Å; E443-R446 PolarHBondContact OE1-NE 2.88Å; E443-R446 IonicContact OE1-NH2 3.7Å; E443-R446 IonicContact OE2-CZ 3.33Å; E443-R446 IonicContact OE2-NE 3.14Å; E443-R446 PolarHBondContact OE2-NE 3.45Å; E443-R446 IonicContact OE2-NH2 2.74Å; E443-R446 PolarHBondContact OE2-NH2 3.39Å; E443-F447 VanDerWaalsContact O-CB 3.27Å; E443-F447 WeakPolarHBondContact O-CB 3.31Å; E443-F447 PolarHBondContact O-N 3.34Å
444	L	98.4	Very high	97.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-47.4	173.4	-176.7	64.8	0	0	0	111.6	C143 L432 F440 Q441 R446 F447 S448 L456 L482 L484	C143-L444 HydrophobicContact CB-CB 3.97Å; C143-L444 HydrophobicContact CB-CD1 3.57Å; C143-L444 HydrophobicContact CB-CG 4.36Å; L432-L444 HydrophobicContact CD1-CD2 4.16Å; L432-L444 HydrophobicContact CD2-CD2 3.79Å; L432-L444 HydrophobicContact CG-CD2 4.2Å; F440-L444 HydrophobicContact CE1-CD2 4.11Å; F440-L444 VanDerWaalsContact O-CB 3.3Å; F440-L444 WeakPolarHBondContact O-CB 3.4Å; F440-L444 PolarHBondContact O-N 2.91Å; Q441-L444 PolarHBondContact O-N 3.22Å; L444-R446 VanDerWaalsContact C-N 3.32Å; L444-R446 PolarHBondContact O-N 2.84Å; L444-F447 PolarHBondContact O-N 3.29Å; L444-S448 WeakPolarHBondContact O-CB 3.42Å; L444-S448 PolarHBondContact O-N 3.17Å; L444-L456 HydrophobicContact CD2-CD2 3.61Å; L444-L456 HydrophobicContact CG-CD2 3.61Å; L444-L482 HydrophobicContact CD1-CD1 3.7Å; L444-L482 HydrophobicContact CG-CD1 4.31Å; L444-L484 HydrophobicContact CD1-CD1 3.53Å
445	R	97.5	Very high	97.3	Very high	54 Å²	54	47 Å²	47	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-37.5	176	-64.8	174.5	-168.4	-176	-1.3	111.5	Q441 R449 L456 S458	Q441-R445 WeakPolarHBondContact O-CB 3.29Å; Q441-R445 VanDerWaalsContact O-CG 3.25Å; Q441-R445 WeakPolarHBondContact O-CG 3.3Å; Q441-R445 PolarHBondContact O-N 3.48Å; R445-R449 WeakPolarHBondContact O-CB 3.36Å; R445-R449 PolarHBondContact O-N 3.04Å; R445-L456 HydrophobicContact CG-CB 4.39Å; R445-L456 HydrophobicContact CG-CD2 4.3Å; R445-L456 HydrophobicContact CG-CG 4.4Å; R445-L456 WeakPolarHBondContact CG-O 3.36Å; R445-S458 PolarHBondContact NH2-OG 3.31Å
446	R	97.1	Very high	97.1	Very high	60 Å²	60	47.8 Å²	47.8	23%	0.226	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-47.3	173.6	-169.6	178.4	71.7	83.4	-3.9	111.1	Y141 R181 R442 E443 L444 R449 K450	Y141-R446 HydrophobicContact CE1-CB 4.26Å; Y141-R446 HydrophobicContact CE1-CG 3.99Å; Y141-R446 PolarHBondContact OH-NH1 3.44Å; R181-R446 VanDerWaalsContact NH2-CD 3.26Å; R442-R446 VanDerWaalsContact O-CB 3.27Å; R442-R446 WeakPolarHBondContact O-CB 3.26Å; R442-R446 PolarHBondContact O-N 2.9Å; E443-R446 PolarHBondContact O-N 3.23Å; E443-R446 IonicContact OE1-CZ 2.75Å; E443-R446 IonicContact OE1-NE 3.02Å; E443-R446 PolarHBondContact OE1-NE 2.88Å; E443-R446 IonicContact OE1-NH2 3.7Å; E443-R446 IonicContact OE2-CZ 3.33Å; E443-R446 IonicContact OE2-NE 3.14Å; E443-R446 PolarHBondContact OE2-NE 3.45Å; E443-R446 IonicContact OE2-NH2 2.74Å; E443-R446 PolarHBondContact OE2-NH2 3.39Å; L444-R446 VanDerWaalsContact C-N 3.32Å; L444-R446 PolarHBondContact O-N 2.84Å; R446-R449 PolarHBondContact O-N 2.75Å; R446-K450 HydrophobicContact CG-CG 4.26Å; R446-K450 VanDerWaalsContact O-CB 3.24Å; R446-K450 WeakPolarHBondContact O-CB 3.46Å; R446-K450 VanDerWaalsContact O-CG 3.29Å; R446-K450 WeakPolarHBondContact O-CG 3.44Å; R446-K450 PolarHBondContact O-N 3.02Å
447	F	98.4	Very high	96.9	Very high	9 Å²	9	48 Å²	48	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-52.7	176.9	177	-92.9	0	0	0	111.1	Y141 C143 Q144 E443 L444 R449 K450 E451 K452 L482 L484	Y141-F447 HydrophobicContact CD1-CB 3.55Å; Y141-F447 HydrophobicContact CD1-CD2 4.13Å; Y141-F447 HydrophobicContact CD1-CG 4.35Å; Y141-F447 AromaticContact CD2-CD2 3.8Å; Y141-F447 HydrophobicContact CD2-CD2 3.8Å; Y141-F447 VanDerWaalsContact CE1-CA 3.46Å; Y141-F447 HydrophobicContact CE1-CB 3.81Å; Y141-F447 HydrophobicContact CE1-CD2 4.34Å; Y141-F447 HydrophobicContact CE2-CD2 4.08Å; Y141-F447 HydrophobicContact CG-CB 4.04Å; Y141-F447 AromaticContact CG-CD2 3.84Å; Y141-F447 HydrophobicContact CG-CD2 3.84Å; Y141-F447 HydrophobicContact CG-CG 4.42Å; C143-F447 VanDerWaalsContact SG-CB 3.56Å; Q144-F447 HydrophobicContact CG-CE2 4.34Å; E443-F447 VanDerWaalsContact O-CB 3.27Å; E443-F447 WeakPolarHBondContact O-CB 3.31Å; E443-F447 PolarHBondContact O-N 3.34Å; L444-F447 PolarHBondContact O-N 3.29Å; F447-R449 VanDerWaalsContact C-N 3.28Å; F447-R449 PolarHBondContact O-N 3.33Å; F447-K450 PolarHBondContact O-N 3.05Å; F447-E451 HydrophobicContact CD2-CB 3.88Å; F447-E451 HydrophobicContact CD2-CG 3.47Å; F447-E451 VanDerWaalsContact CD2-CG 3.47Å; F447-E451 HydrophobicContact CE2-CB 3.7Å; F447-E451 HydrophobicContact CE2-CG 3.62Å; F447-E451 HydrophobicContact CG-CB 4.36Å; F447-E451 HydrophobicContact CG-CG 4.2Å; F447-E451 HydrophobicContact CZ-CB 4.04Å; F447-E451 HydrophobicContact CZ-CG 4.45Å; F447-E451 WeakPolarHBondContact O-CB 3.3Å; F447-E451 PolarHBondContact O-N 3.35Å; F447-K452 HydrophobicContact CD1-CG 4.44Å; F447-K452 HydrophobicContact CE1-CD 4.47Å; F447-K452 HydrophobicContact CE1-CG 3.87Å; F447-K452 HydrophobicContact CZ-CG 4.45Å; F447-L482 HydrophobicContact CE1-CB 4.45Å; F447-L482 WeakPolarHBondContact CE1-O 3.37Å; F447-L484 HydrophobicContact CD1-CD1 3.83Å; F447-L484 HydrophobicContact CD1-CD2 4.13Å; F447-L484 HydrophobicContact CD1-CG 4.15Å; F447-L484 HydrophobicContact CE1-CD1 3.84Å; F447-L484 HydrophobicContact CE1-CD2 3.58Å; F447-L484 HydrophobicContact CE1-CG 3.63Å; F447-L484 HydrophobicContact CE2-CD2 4.14Å; F447-L484 HydrophobicContact CZ-CD2 3.59Å; F447-L484 HydrophobicContact CZ-CG 4.12Å
448	S	98.1	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-49.9	-50	177.1	179.5	0	0	0	0	111.4	L444 K452 G453 L454 L482	L444-S448 WeakPolarHBondContact O-CB 3.42Å; L444-S448 PolarHBondContact O-N 3.17Å; S448-K452 CarbonylContact O-C 3.57Å; S448-K452 WeakPolarHBondContact O-CA 3.39Å; S448-K452 VanDerWaalsContact O-CB 3.31Å; S448-K452 WeakPolarHBondContact O-CB 3.43Å; S448-K452 PolarHBondContact O-N 3.06Å; S448-G453 PolarHBondContact O-N 3.45Å; S448-G453 VanDerWaalsContact O-N 3.09Å; S448-L454 CarbonylContact C-O 3.58Å; S448-L454 PolarHBondContact O-N 3.06Å; S448-L454 PolarHBondContact OG-O 3.22Å; S448-L482 WeakPolarHBondContact OG-CD2 3.41Å
449	R	95.7	Very high	96.3	Very high	124 Å²	124	40.1 Å²	40.1	47%	0.468	18%	0.178	S	C	.	.	H	α-helix	trans	-72	-40.8	-177.7	-174.7	175.8	-71.2	-104.2	-0.8	113.2	R445 R446 F447 G453 L454	R445-R449 WeakPolarHBondContact O-CB 3.36Å; R445-R449 PolarHBondContact O-N 3.04Å; R446-R449 PolarHBondContact O-N 2.75Å; F447-R449 VanDerWaalsContact C-N 3.28Å; F447-R449 PolarHBondContact O-N 3.33Å; R449-G453 PolarHBondContact O-N 2.92Å; R449-L454 VanDerWaalsContact CA-O 3.31Å; R449-L454 WeakPolarHBondContact CA-O 3.21Å; R449-L454 PolarHBondContact N-O 3.29Å
450	K	96.4	Very high	96.1	Very high	150 Å²	150	39.5 Å²	39.5	65%	0.652	18%	0.175	S	C	*	.	H	α-helix	trans	-87.1	-38.9	-170.8	-68.2	-65.2	-175.5	178.5	0	113.6	R446 F447	R446-K450 HydrophobicContact CG-CG 4.26Å; R446-K450 VanDerWaalsContact O-CB 3.24Å; R446-K450 WeakPolarHBondContact O-CB 3.46Å; R446-K450 VanDerWaalsContact O-CG 3.29Å; R446-K450 WeakPolarHBondContact O-CG 3.44Å; R446-K450 PolarHBondContact O-N 3.02Å; F447-K450 PolarHBondContact O-N 3.05Å
451	E	97.3	Very high	96	Very high	106 Å²	106	39.5 Å²	39.5	50%	0.495	18%	0.175	S	C	.	.	H	α-helix	trans	-100.1	-22.5	-174.2	-52.5	-57.6	149.2	0	0	112.5	Y141 F447	Y141-E451 HydrophobicContact CE2-CG 3.81Å; Y141-E451 WeakPolarHBondContact CE2-OE1 3.47Å; Y141-E451 VanDerWaalsContact CZ-OE1 3.25Å; Y141-E451 PolarHBondContact OH-OE1 3.29Å; F447-E451 HydrophobicContact CD2-CB 3.88Å; F447-E451 HydrophobicContact CD2-CG 3.47Å; F447-E451 VanDerWaalsContact CD2-CG 3.47Å; F447-E451 HydrophobicContact CE2-CB 3.7Å; F447-E451 HydrophobicContact CE2-CG 3.62Å; F447-E451 HydrophobicContact CG-CB 4.36Å; F447-E451 HydrophobicContact CG-CG 4.2Å; F447-E451 HydrophobicContact CZ-CB 4.04Å; F447-E451 HydrophobicContact CZ-CG 4.45Å; F447-E451 WeakPolarHBondContact O-CB 3.3Å; F447-E451 PolarHBondContact O-N 3.35Å
452	K	96.9	Very high	95.8	Very high	89 Å²	89	39.5 Å²	39.5	39%	0.387	18%	0.175	S	C	.	.	S	Bend	trans	-118.4	-10.2	-177.4	-55.2	-70.7	164	156	0	114.1	F447 S448 L454 L482	F447-K452 HydrophobicContact CD1-CG 4.44Å; F447-K452 HydrophobicContact CE1-CD 4.47Å; F447-K452 HydrophobicContact CE1-CG 3.87Å; F447-K452 HydrophobicContact CZ-CG 4.45Å; S448-K452 CarbonylContact O-C 3.57Å; S448-K452 WeakPolarHBondContact O-CA 3.39Å; S448-K452 VanDerWaalsContact O-CB 3.31Å; S448-K452 WeakPolarHBondContact O-CB 3.43Å; S448-K452 PolarHBondContact O-N 3.06Å; K452-L454 HydrophobicContact CB-CB 4.45Å; K452-L454 HydrophobicContact CB-CD1 4.35Å; K452-L454 HydrophobicContact CB-CG 4.08Å; K452-L454 WeakPolarHBondContact O-CG 3.13Å; K452-L454 PolarHBondContact O-N 3.47Å; K452-L454 VanDerWaalsContact O-N 3.13Å; K452-L482 WeakPolarHBondContact CD-O 3.47Å; K452-L482 WeakPolarHBondContact CE-O 3.47Å; K452-L482 HydrophobicContact CG-CD2 4.4Å; K452-L482 PolarHBondContact NZ-O 2.86Å
453	G	96	Very high	95.7	Very high	32 Å²	32	36.1 Å²	36.1	33%	0.33	16%	0.163	S	C	.	.			trans	68.7	1.5	-174	0	0	0	0	0	114.5	S448 R449 P464	S448-G453 PolarHBondContact O-N 3.45Å; S448-G453 VanDerWaalsContact O-N 3.09Å; R449-G453 PolarHBondContact O-N 2.92Å; G453-P464 VanDerWaalsContact O-CD 3.24Å; G453-P464 WeakPolarHBondContact O-CD 3.45Å; G453-P464 WeakPolarHBondContact O-CG 3.47Å
454	L	95.8	Very high	95.4	Very high	14 Å²	14	38 Å²	38	7%	0.073	18%	0.175	C	C	.	.			trans	-93.3	145.8	-174.6	-56.3	-177.7	0	0	0	111.8	S448 R449 K452 L461 D463 F470 L482	S448-L454 CarbonylContact C-O 3.58Å; S448-L454 PolarHBondContact O-N 3.06Å; S448-L454 PolarHBondContact OG-O 3.22Å; R449-L454 VanDerWaalsContact CA-O 3.31Å; R449-L454 WeakPolarHBondContact CA-O 3.21Å; R449-L454 PolarHBondContact N-O 3.29Å; K452-L454 HydrophobicContact CB-CB 4.45Å; K452-L454 HydrophobicContact CB-CD1 4.35Å; K452-L454 HydrophobicContact CB-CG 4.08Å; K452-L454 WeakPolarHBondContact O-CG 3.13Å; K452-L454 PolarHBondContact O-N 3.47Å; K452-L454 VanDerWaalsContact O-N 3.13Å; L454-L461 HydrophobicContact CB-CD1 3.66Å; L454-L461 HydrophobicContact CB-CG 4.34Å; L454-L461 HydrophobicContact CD1-CD1 4.23Å; L454-L461 HydrophobicContact CD1-CD2 4Å; L454-L461 HydrophobicContact CD1-CG 4.24Å; L454-D463 HydrophobicContact CD2-CB 3.87Å; L454-F470 HydrophobicContact CD1-CE2 3.85Å; L454-F470 HydrophobicContact CD1-CZ 3.99Å; L454-F470 HydrophobicContact CD2-CE2 3.91Å; L454-F470 HydrophobicContact CD2-CZ 4.21Å; L454-F470 HydrophobicContact CG-CE2 4.46Å; L454-L482 HydrophobicContact CD1-CD2 4.28Å
455	W	95.1	Very high	95.1	Very high	53 Å²	53	46.2 Å²	46.2	20%	0.201	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	99.3	-178.8	-58.8	-0.4	0	0	0	110.1	A377 Q378 F462 P464	A377-W455 HydrophobicContact CB-CE3 3.93Å; Q378-W455 HydrophobicContact CG-CE3 4.33Å; Q378-W455 HydrophobicContact CG-CH2 4.4Å; Q378-W455 HydrophobicContact CG-CZ3 3.65Å; W455-F462 HydrophobicContact CB-CB 4.29Å; W455-F462 HydrophobicContact CB-CD1 4.47Å; W455-F462 HydrophobicContact CD2-CD1 4.08Å; W455-F462 AromaticContact CE3-CD1 3.65Å; W455-F462 HydrophobicContact CE3-CD1 3.65Å; W455-F462 HydrophobicContact CE3-CE1 4.02Å; W455-F462 HydrophobicContact CG-CD1 4.48Å; W455-F462 HydrophobicContact CZ3-CD1 4.11Å; W455-F462 HydrophobicContact CZ3-CE1 4Å; W455-F462 PolarHBondContact N-O 3.12Å; W455-F462 PolarHBondContact O-N 2.72Å; W455-P464 HydrophobicContact CD2-CB 4.48Å; W455-P464 HydrophobicContact CH2-CB 4.24Å; W455-P464 HydrophobicContact CZ2-CB 3.74Å; W455-P464 HydrophobicContact CZ2-CG 4.29Å
456	L	94.9	Very high	94.9	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.2	174.2	-176.7	69.3	0	0	0	111.2	F429 L444 R445 L461 I478 L482	F429-L456 HydrophobicContact CD1-CD1 3.98Å; F429-L456 HydrophobicContact CE1-CD1 4.23Å; L444-L456 HydrophobicContact CD2-CD2 3.61Å; L444-L456 HydrophobicContact CG-CD2 3.61Å; R445-L456 HydrophobicContact CG-CB 4.39Å; R445-L456 HydrophobicContact CG-CD2 4.3Å; R445-L456 HydrophobicContact CG-CG 4.4Å; R445-L456 WeakPolarHBondContact CG-O 3.36Å; L456-L461 HydrophobicContact CB-CD1 3.82Å; L456-L461 HydrophobicContact CD1-CB 4.15Å; L456-L461 HydrophobicContact CD1-CD1 4.06Å; L456-I478 HydrophobicContact CD1-CG2 4.09Å; L456-L482 HydrophobicContact CD2-CD1 4.23Å
457	N	91.9	Very high	94.6	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.059	26%	0.258	C	S	.	.			trans	-140	-169.6	165	63.6	31	0	0	0	109.6	L376 H459 G460	L376-N457 PolarHBondContact O-ND2 3.33Å; N457-H459 PolarHBondContact O-N 3.42Å; N457-H459 WeakPolarHBondContact OD1-CA 3.33Å; N457-H459 WeakPolarHBondContact OD1-CB 3.1Å; N457-H459 PolarHBondContact OD1-N 3.28Å; N457-G460 PolarHBondContact N-O 3.47Å; N457-G460 PolarHBondContact OD1-N 2.88Å; N457-G460 PolarHBondContact OD1-O 2.85Å
458	S	91.9	Very high	94.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-76.7	-7.4	-179.8	-51.7	0	0	0	0	114	M382 F385 F429 A430 R445	M382-S458 VanDerWaalsContact O-CB 3.29Å; M382-S458 WeakPolarHBondContact O-CB 3.2Å; M382-S458 PolarHBondContact O-OG 2.7Å; F385-S458 VanDerWaalsContact CE2-O 3.27Å; F385-S458 WeakPolarHBondContact CE2-O 3.34Å; F385-S458 WeakPolarHBondContact CZ-O 3.1Å; F429-S458 CarbonylContact C-O 3.54Å; F429-S458 VanDerWaalsContact C-O 3.25Å; F429-S458 VanDerWaalsContact CB-O 3.32Å; F429-S458 WeakPolarHBondContact CB-O 3.27Å; A430-S458 WeakPolarHBondContact CA-O 3.42Å; A430-S458 PolarHBondContact N-O 3.19Å; A430-S458 VanDerWaalsContact N-O 3.09Å; R445-S458 PolarHBondContact NH2-OG 3.31Å
459	H	91.9	Very high	94.1	Very high	13 Å²	13	61.7 Å²	61.7	6%	0.06	29%	0.291	C	S	.	.	S	Bend	trans	-100.7	-26.1	179.7	-60.6	-63.6	0	0	0	113	D383 A384 F385 Q426 N457	D383-H459 WeakPolarHBondContact CA-NE2 3.49Å; A384-H459 PolarHBondContact N-CE1 3.42Å; A384-H459 PolarHBondContact N-NE2 2.96Å; F385-H459 AromaticContact CD1-CE1 3.7Å; F385-H459 AromaticContact CD1-ND1 3.77Å; F385-H459 AromaticContact CD2-CE1 3.65Å; F385-H459 AromaticContact CE1-CE1 3.6Å; F385-H459 AromaticContact CE1-ND1 3.18Å; F385-H459 WeakPolarHBondContact CE1-ND1 3.43Å; F385-H459 AromaticContact CE2-CE1 3.54Å; F385-H459 AromaticContact CE2-ND1 3.44Å; F385-H459 WeakPolarHBondContact CE2-ND1 3.48Å; F385-H459 AromaticContact CG-CE1 3.72Å; F385-H459 AromaticContact CZ-CE1 3.53Å; F385-H459 AromaticContact CZ-ND1 3Å; F385-H459 WeakPolarHBondContact CZ-ND1 3.43Å; Q426-H459 WeakPolarHBondContact CG-O 3.25Å; Q426-H459 PolarHBondContact OE1-ND1 2.91Å; N457-H459 PolarHBondContact O-N 3.42Å; N457-H459 WeakPolarHBondContact OD1-CA 3.33Å; N457-H459 WeakPolarHBondContact OD1-CB 3.1Å; N457-H459 PolarHBondContact OD1-N 3.28Å
460	G	93.4	Very high	94	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	28%	0.279	C	S	.	.			trans	-179.9	172.4	-171.7	0	0	0	0	0	114.5	N457	N457-G460 PolarHBondContact N-O 3.47Å; N457-G460 PolarHBondContact OD1-N 2.88Å; N457-G460 PolarHBondContact OD1-O 2.85Å
461	L	95.2	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.2	165.7	-178.6	66	0	0	0	107.5	F429 L454 L456 F469 F470 H481 L482	F429-L461 HydrophobicContact CE1-CB 3.67Å; F429-L461 HydrophobicContact CZ-CB 4.06Å; L454-L461 HydrophobicContact CB-CD1 3.66Å; L454-L461 HydrophobicContact CB-CG 4.34Å; L454-L461 HydrophobicContact CD1-CD1 4.23Å; L454-L461 HydrophobicContact CD1-CD2 4Å; L454-L461 HydrophobicContact CD1-CG 4.24Å; L456-L461 HydrophobicContact CB-CD1 3.82Å; L456-L461 HydrophobicContact CD1-CB 4.15Å; L456-L461 HydrophobicContact CD1-CD1 4.06Å; L461-F469 WeakPolarHBondContact O-CA 3.21Å; L461-F470 HydrophobicContact CB-CB 4.31Å; L461-F470 HydrophobicContact CB-CD2 4.04Å; L461-F470 HydrophobicContact CD2-CB 4.36Å; L461-F470 HydrophobicContact CD2-CD2 3.71Å; L461-F470 HydrophobicContact CD2-CE2 4.17Å; L461-F470 HydrophobicContact CD2-CG 4.03Å; L461-F470 HydrophobicContact CG-CD2 3.6Å; L461-F470 HydrophobicContact CG-CE2 4.1Å; L461-F470 HydrophobicContact CG-CG 4.31Å; L461-F470 WeakPolarHBondContact O-CD2 3.5Å; L461-F470 PolarHBondContact O-N 3.45Å; L461-H481 HydrophobicContact CD2-CB 3.78Å; L461-L482 HydrophobicContact CD1-CD2 4.03Å; L461-L482 HydrophobicContact CD2-CD2 4.26Å; L461-L482 HydrophobicContact CD2-CG 4.49Å
462	F	94.4	Very high	93.8	Very high	12 Å²	12	53.2 Å²	53.2	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.7	-177.1	176.8	-105.4	0	0	0	111.1	A377 W455 P464 K467 T468 F469	A377-F462 HydrophobicContact CB-CB 3.87Å; A377-F462 HydrophobicContact CB-CD1 3.91Å; A377-F462 HydrophobicContact CB-CG 3.86Å; W455-F462 HydrophobicContact CB-CB 4.29Å; W455-F462 HydrophobicContact CB-CD1 4.47Å; W455-F462 HydrophobicContact CD2-CD1 4.08Å; W455-F462 AromaticContact CE3-CD1 3.65Å; W455-F462 HydrophobicContact CE3-CD1 3.65Å; W455-F462 HydrophobicContact CE3-CE1 4.02Å; W455-F462 HydrophobicContact CG-CD1 4.48Å; W455-F462 HydrophobicContact CZ3-CD1 4.11Å; W455-F462 HydrophobicContact CZ3-CE1 4Å; W455-F462 PolarHBondContact N-O 3.12Å; W455-F462 PolarHBondContact O-N 2.72Å; F462-P464 HydrophobicContact CD1-CB 4.38Å; F462-P464 VanDerWaalsContact CE1-CA 3.49Å; F462-P464 HydrophobicContact CE1-CB 3.99Å; F462-P464 WeakPolarHBondContact O-CD 3.43Å; F462-K467 VanDerWaalsContact CE2-C 3.49Å; F462-K467 HydrophobicContact CZ-CB 4.34Å; F462-T468 VanDerWaalsContact CD2-O 3.26Å; F462-T468 WeakPolarHBondContact CD2-O 3.29Å; F462-F469 HydrophobicContact CB-CD1 4.17Å; F462-F469 HydrophobicContact CB-CE1 3.83Å; F462-F469 HydrophobicContact CB-CZ 4.04Å; F462-F469 HydrophobicContact CD2-CD1 4.49Å; F462-F469 AromaticContact CD2-CD2 3.79Å; F462-F469 HydrophobicContact CD2-CD2 3.79Å; F462-F469 HydrophobicContact CD2-CE1 4.27Å; F462-F469 AromaticContact CD2-CE2 3.49Å; F462-F469 HydrophobicContact CD2-CE2 3.49Å; F462-F469 VanDerWaalsContact CD2-CE2 3.49Å; F462-F469 HydrophobicContact CD2-CG 4.27Å; F462-F469 AromaticContact CD2-CZ 3.78Å; F462-F469 HydrophobicContact CD2-CZ 3.78Å; F462-F469 HydrophobicContact CE2-CD2 4.42Å; F462-F469 HydrophobicContact CE2-CE2 4.06Å; F462-F469 HydrophobicContact CG-CE1 4.47Å; F462-F469 HydrophobicContact CG-CE2 4.36Å; F462-F469 HydrophobicContact CG-CZ 4.21Å
463	D	94.9	Very high	93.7	Very high	14 Å²	14	54 Å²	54	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111	169.6	-171.9	-33	0	0	0	109.3	L454 E465 Q466 K467 T468 F470	L454-D463 HydrophobicContact CD2-CB 3.87Å; D463-E465 VanDerWaalsContact C-N 3.31Å; D463-E465 PolarHBondContact O-N 3.32Å; D463-E465 WeakPolarHBondContact OD1-CA 3.5Å; D463-E465 WeakPolarHBondContact OD1-CB 3.5Å; D463-E465 PolarHBondContact OD1-N 3.18Å; D463-Q466 HydrophobicContact CB-CB 4.15Å; D463-Q466 PolarHBondContact OD1-N 3.03Å; D463-Q466 WeakPolarHBondContact OD2-CG 3.43Å; D463-K467 WeakPolarHBondContact O-CA 3.45Å; D463-K467 PolarHBondContact O-N 3.16Å; D463-T468 PolarHBondContact N-O 3.04Å; D463-T468 PolarHBondContact O-N 2.93Å; D463-F470 HydrophobicContact CB-CE2 3.85Å; D463-F470 HydrophobicContact CB-CZ 4.28Å
464	P	92.1	Very high	93.7	Very high	40 Å²	40	54.1 Å²	54.1	26%	0.26	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.6	179.6	31.2	-36	0	0	0	114.1	G453 W455 F462	G453-P464 VanDerWaalsContact O-CD 3.24Å; G453-P464 WeakPolarHBondContact O-CD 3.45Å; G453-P464 WeakPolarHBondContact O-CG 3.47Å; W455-P464 HydrophobicContact CD2-CB 4.48Å; W455-P464 HydrophobicContact CH2-CB 4.24Å; W455-P464 HydrophobicContact CZ2-CB 3.74Å; W455-P464 HydrophobicContact CZ2-CG 4.29Å; F462-P464 HydrophobicContact CD1-CB 4.38Å; F462-P464 VanDerWaalsContact CE1-CA 3.49Å; F462-P464 HydrophobicContact CE1-CB 3.99Å; F462-P464 WeakPolarHBondContact O-CD 3.43Å
465	E	92.6	Very high	93.9	Very high	173 Å²	173	53.9 Å²	53.9	81%	0.808	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-48.6	178.1	-61.5	-175.4	177	0	0	110.1	D463 K467	D463-E465 VanDerWaalsContact C-N 3.31Å; D463-E465 PolarHBondContact O-N 3.32Å; D463-E465 WeakPolarHBondContact OD1-CA 3.5Å; D463-E465 WeakPolarHBondContact OD1-CB 3.5Å; D463-E465 PolarHBondContact OD1-N 3.18Å; E465-K467 VanDerWaalsContact C-N 3.34Å
466	Q	92.8	Very high	94	Very high	136 Å²	136	56.5 Å²	56.5	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.6	178.1	-60.3	-174.3	19.4	0	0	113.1	D463 T468	D463-Q466 HydrophobicContact CB-CB 4.15Å; D463-Q466 PolarHBondContact OD1-N 3.03Å; D463-Q466 WeakPolarHBondContact OD2-CG 3.43Å; Q466-T468 VanDerWaalsContact C-N 3.27Å; Q466-T468 HydrophobicContact CB-CG2 4.45Å; Q466-T468 WeakPolarHBondContact CB-OG1 3.17Å; Q466-T468 PolarHBondContact O-N 2.78Å
467	K	91.7	Very high	94.2	Very high	168 Å²	168	56.5 Å²	56.5	73%	0.73	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	37.3	-173.8	-57.7	178.4	180	173.9	0	113	F462 D463 E465	F462-K467 VanDerWaalsContact CE2-C 3.49Å; F462-K467 HydrophobicContact CZ-CB 4.34Å; D463-K467 WeakPolarHBondContact O-CA 3.45Å; D463-K467 PolarHBondContact O-N 3.16Å; E465-K467 VanDerWaalsContact C-N 3.34Å
468	T	92.4	Very high	94.5	Very high	62 Å²	62	56 Å²	56	38%	0.38	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.6	-177.2	52.2	0	0	0	0	111.8	F462 D463 Q466	F462-T468 VanDerWaalsContact CD2-O 3.26Å; F462-T468 WeakPolarHBondContact CD2-O 3.29Å; D463-T468 PolarHBondContact N-O 3.04Å; D463-T468 PolarHBondContact O-N 2.93Å; Q466-T468 VanDerWaalsContact C-N 3.27Å; Q466-T468 HydrophobicContact CB-CG2 4.45Å; Q466-T468 WeakPolarHBondContact CB-OG1 3.17Å; Q466-T468 PolarHBondContact O-N 2.78Å
469	F	92.5	Very high	94.8	Very high	82 Å²	82	56 Å²	56	36%	0.36	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.7	169.5	-79.3	-91.9	0	0	0	110.1	P373 A377 L461 F462	P373-F469 HydrophobicContact CB-CD2 4.19Å; P373-F469 HydrophobicContact CB-CE2 3.34Å; P373-F469 HydrophobicContact CB-CZ 3.87Å; P373-F469 WeakPolarHBondContact O-CZ 3.37Å; A377-F469 HydrophobicContact CB-CZ 4.08Å; L461-F469 WeakPolarHBondContact O-CA 3.21Å; F462-F469 HydrophobicContact CB-CD1 4.17Å; F462-F469 HydrophobicContact CB-CE1 3.83Å; F462-F469 HydrophobicContact CB-CZ 4.04Å; F462-F469 HydrophobicContact CD2-CD1 4.49Å; F462-F469 AromaticContact CD2-CD2 3.79Å; F462-F469 HydrophobicContact CD2-CD2 3.79Å; F462-F469 HydrophobicContact CD2-CE1 4.27Å; F462-F469 AromaticContact CD2-CE2 3.49Å; F462-F469 HydrophobicContact CD2-CE2 3.49Å; F462-F469 VanDerWaalsContact CD2-CE2 3.49Å; F462-F469 HydrophobicContact CD2-CG 4.27Å; F462-F469 AromaticContact CD2-CZ 3.78Å; F462-F469 HydrophobicContact CD2-CZ 3.78Å; F462-F469 HydrophobicContact CE2-CD2 4.42Å; F462-F469 HydrophobicContact CE2-CE2 4.06Å; F462-F469 HydrophobicContact CG-CE1 4.47Å; F462-F469 HydrophobicContact CG-CE2 4.36Å; F462-F469 HydrophobicContact CG-CZ 4.21Å
470	F	93.5	Very high	95.1	Very high	49 Å²	49	63.5 Å²	63.5	22%	0.215	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-76.3	130.4	170.3	-67.3	-93.8	0	0	0	109.8	L454 L461 D463 H481	L454-F470 HydrophobicContact CD1-CE2 3.85Å; L454-F470 HydrophobicContact CD1-CZ 3.99Å; L454-F470 HydrophobicContact CD2-CE2 3.91Å; L454-F470 HydrophobicContact CD2-CZ 4.21Å; L454-F470 HydrophobicContact CG-CE2 4.46Å; L461-F470 HydrophobicContact CB-CB 4.31Å; L461-F470 HydrophobicContact CB-CD2 4.04Å; L461-F470 HydrophobicContact CD2-CB 4.36Å; L461-F470 HydrophobicContact CD2-CD2 3.71Å; L461-F470 HydrophobicContact CD2-CE2 4.17Å; L461-F470 HydrophobicContact CD2-CG 4.03Å; L461-F470 HydrophobicContact CG-CD2 3.6Å; L461-F470 HydrophobicContact CG-CE2 4.1Å; L461-F470 HydrophobicContact CG-CG 4.31Å; L461-F470 WeakPolarHBondContact O-CD2 3.5Å; L461-F470 PolarHBondContact O-N 3.45Å; D463-F470 HydrophobicContact CB-CE2 3.85Å; D463-F470 HydrophobicContact CB-CZ 4.28Å; F470-H481 HydrophobicContact CD1-CB 4.39Å; F470-H481 AromaticContact CD1-CE1 3.6Å; F470-H481 AromaticContact CD1-CG 3.73Å; F470-H481 AromaticContact CD1-ND1 3.42Å; F470-H481 WeakPolarHBondContact CD1-ND1 3.48Å; F470-H481 AromaticContact CD1-NE2 3.98Å; F470-H481 AromaticContact CE1-ND1 3.73Å
471	H	93.7	Very high	95.3	Very high	148 Å²	148	67 Å²	67	69%	0.685	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-84.5	128.3	168.5	-177	-79	0	0	0	109.4
472	V	95.3	Very high	95.4	Very high	5 Å²	5	67 Å²	67	3%	0.03	32%	0.321	C	S	.	.			trans	-135.3	152.2	-180	-60.4	0	0	0	0	110.1	P428 F429 D477 I478	P428-V472 HydrophobicContact CB-CG2 3.89Å; P428-V472 HydrophobicContact CG-CG2 4.1Å; F429-V472 HydrophobicContact CD2-CG2 3.9Å; F429-V472 HydrophobicContact CE1-CG1 4.44Å; F429-V472 HydrophobicContact CE1-CG2 3.92Å; F429-V472 HydrophobicContact CE2-CG2 3.24Å; F429-V472 HydrophobicContact CG-CG2 4.5Å; F429-V472 HydrophobicContact CZ-CB 4.22Å; F429-V472 HydrophobicContact CZ-CG1 3.9Å; F429-V472 HydrophobicContact CZ-CG2 3.25Å; V472-D477 HydrophobicContact CB-CB 3.79Å; V472-D477 HydrophobicContact CG1-CB 3.8Å; V472-I478 HydrophobicContact CB-CG1 4.27Å; V472-I478 HydrophobicContact CG1-CG1 4.07Å; V472-I478 HydrophobicContact CG2-CD1 4.4Å; V472-I478 HydrophobicContact CG2-CG1 4.04Å
473	T	94.9	Very high	95.5	Very high	106 Å²	106	68.9 Å²	68.9	65%	0.65	34%	0.344	S	S	*	.	S	Bend	trans	-117.4	-13.1	178.4	59.1	0	0	0	0	112.6	D477	T473-D477 PolarHBondContact N-OD2 3.4Å; T473-D477 PolarHBondContact OG1-OD2 3.32Å
474	S	97.9	Very high	95.7	Very high	35 Å²	35	69.1 Å²	69.1	25%	0.245	35%	0.345	C	S	.	.	S	Bend	trans	-147.5	164.9	-178.2	76.1	0	0	0	0	111.8	E476 D477	S474-E476 PolarHBondContact O-N 3.17Å; S474-E476 PolarHBondContact OG-N 3.46Å; S474-D477 PolarHBondContact N-OD2 3.29Å; S474-D477 PolarHBondContact O-N 2.94Å; S474-D477 PolarHBondContact OG-N 3.33Å; S474-D477 VanDerWaalsContact OG-N 3.16Å; S474-D477 PolarHBondContact OG-OD1 2.93Å
475	E	98.4	Very high	95.9	Very high	9 Å²	9	74.6 Å²	74.6	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-36.7	169.5	-64.8	-177.1	128.4	0	0	111	R322 L431 L432 D477 I478 F479 Y486 R492	R322-E475 IonicContact CZ-OE1 2.94Å; R322-E475 IonicContact CZ-OE2 3.8Å; R322-E475 VanDerWaalsContact NH1-CD 3.33Å; R322-E475 IonicContact NH1-OE1 3.63Å; R322-E475 PolarHBondContact NH1-OE1 3.05Å; R322-E475 IonicContact NH1-OE2 3.98Å; R322-E475 PolarHBondContact NH1-OE2 3.28Å; R322-E475 VanDerWaalsContact NH1-OE2 3.16Å; R322-E475 IonicContact NH2-OE1 3.21Å; R322-E475 IonicContact NH2-OE2 2.75Å; R322-E475 PolarHBondContact NH2-OE2 2.76Å; L431-E475 HydrophobicContact CD2-CG 4.36Å; L432-E475 WeakPolarHBondContact CA-OE1 3.45Å; L432-E475 HydrophobicContact CB-CG 4.33Å; E475-D477 VanDerWaalsContact C-N 3.26Å; E475-D477 PolarHBondContact O-N 3.22Å; E475-I478 WeakPolarHBondContact O-CB 3.5Å; E475-I478 PolarHBondContact O-N 2.83Å; E475-F479 WeakPolarHBondContact O-CD2 3.47Å; E475-F479 PolarHBondContact O-N 3.09Å; E475-Y486 HydrophobicContact CB-CE2 3.92Å; E475-Y486 PolarHBondContact OE2-OH 2.94Å; E475-R492 VanDerWaalsContact CD-NH1 3.33Å; E475-R492 IonicContact OE1-CZ 3.92Å; E475-R492 IonicContact OE1-NH1 3.2Å; E475-R492 PolarHBondContact OE1-NH1 3.17Å; E475-R492 IonicContact OE1-NH2 3.48Å; E475-R492 IonicContact OE2-CZ 2.75Å; E475-R492 IonicContact OE2-NH1 2.98Å; E475-R492 PolarHBondContact OE2-NH1 3.02Å; E475-R492 IonicContact OE2-NH2 3.99Å; E475-R492 PolarHBondContact OE2-NH2 3.14Å
476	E	98.5	Very high	96.2	Very high	107 Å²	107	70 Å²	70	50%	0.5	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-38.5	179.8	-65	175.9	-151.5	0	0	112	S474 I478 F479 R480 Y486	S474-E476 PolarHBondContact O-N 3.17Å; S474-E476 PolarHBondContact OG-N 3.46Å; E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 PolarHBondContact O-N 2.75Å; E476-F479 PolarHBondContact O-N 3.13Å; E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3.06Å; E476-Y486 HydrophobicContact CB-CD2 4.21Å; E476-Y486 HydrophobicContact CB-CE2 4.48Å; E476-Y486 HydrophobicContact CG-CD1 4.08Å; E476-Y486 HydrophobicContact CG-CD2 3.61Å; E476-Y486 HydrophobicContact CG-CE1 4.14Å; E476-Y486 HydrophobicContact CG-CE2 3.66Å; E476-Y486 HydrophobicContact CG-CG 3.81Å
477	D	98.1	Very high	96.5	Very high	15 Å²	15	64 Å²	64	8%	0.08	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-41.2	175.4	-57.9	-3.8	0	0	0	111.3	V472 T473 S474 E475 R480 H481	V472-D477 HydrophobicContact CB-CB 3.79Å; V472-D477 HydrophobicContact CG1-CB 3.8Å; T473-D477 PolarHBondContact N-OD2 3.4Å; T473-D477 PolarHBondContact OG1-OD2 3.32Å; S474-D477 PolarHBondContact N-OD2 3.29Å; S474-D477 PolarHBondContact O-N 2.94Å; S474-D477 PolarHBondContact OG-N 3.33Å; S474-D477 VanDerWaalsContact OG-N 3.16Å; S474-D477 PolarHBondContact OG-OD1 2.93Å; E475-D477 VanDerWaalsContact C-N 3.26Å; E475-D477 PolarHBondContact O-N 3.22Å; D477-R480 PolarHBondContact O-N 3.18Å; D477-R480 IonicContact OD1-CZ 3.76Å; D477-R480 IonicContact OD1-NE 2.72Å; D477-R480 IonicContact OD1-NH2 3.83Å; D477-R480 PolarHBondContact OD1-NH2 3.03Å; D477-H481 PolarHBondContact O-CD2 2.95Å; D477-H481 PolarHBondContact O-N 3.49Å
478	I	98.3	Very high	96.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-45.3	178.4	-53.9	170.6	0	0	0	110	P428 F429 L432 L456 V472 E475 E476 R480 H481 L482	P428-I478 HydrophobicContact CB-CD1 4.19Å; F429-I478 HydrophobicContact CD1-CD1 3.47Å; F429-I478 VanDerWaalsContact CD1-CD1 3.47Å; F429-I478 HydrophobicContact CD1-CG1 4Å; F429-I478 HydrophobicContact CE1-CD1 3.77Å; F429-I478 HydrophobicContact CE1-CG1 3.73Å; F429-I478 HydrophobicContact CE1-CG2 4.38Å; F429-I478 HydrophobicContact CG-CD1 4.14Å; F429-I478 HydrophobicContact CZ-CG1 4.48Å; L432-I478 HydrophobicContact CB-CD1 4.31Å; L432-I478 HydrophobicContact CD2-CB 4.3Å; L432-I478 HydrophobicContact CD2-CD1 3.68Å; L432-I478 HydrophobicContact CD2-CG2 3.8Å; L456-I478 HydrophobicContact CD1-CG2 4.09Å; V472-I478 HydrophobicContact CB-CG1 4.27Å; V472-I478 HydrophobicContact CG1-CG1 4.07Å; V472-I478 HydrophobicContact CG2-CD1 4.4Å; V472-I478 HydrophobicContact CG2-CG1 4.04Å; E475-I478 WeakPolarHBondContact O-CB 3.5Å; E475-I478 PolarHBondContact O-N 2.83Å; E476-I478 VanDerWaalsContact C-N 3.29Å; E476-I478 PolarHBondContact O-N 2.75Å; I478-R480 VanDerWaalsContact C-N 3.34Å; I478-R480 PolarHBondContact O-N 3.2Å; I478-H481 PolarHBondContact O-N 3.36Å; I478-L482 HydrophobicContact CG2-CD1 4.16Å; I478-L482 WeakPolarHBondContact O-CG 3.39Å; I478-L482 PolarHBondContact O-N 3.42Å
479	F	98.5	Very high	97.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-40.4	176.2	-79.8	-104	0	0	0	111.6	L432 F440 E475 E476 L482 G483 L484 E485 Y486 L487	L432-F479 HydrophobicContact CD1-CE2 4.03Å; F440-F479 HydrophobicContact CE1-CZ 4.2Å; F440-F479 HydrophobicContact CZ-CE1 4.18Å; F440-F479 AromaticContact CZ-CZ 3.81Å; F440-F479 HydrophobicContact CZ-CZ 3.81Å; E475-F479 WeakPolarHBondContact O-CD2 3.47Å; E475-F479 PolarHBondContact O-N 3.09Å; E476-F479 PolarHBondContact O-N 3.13Å; F479-L482 CarbonylContact O-C 3.51Å; F479-L482 PolarHBondContact O-N 3.22Å; F479-G483 PolarHBondContact O-N 3.28Å; F479-L484 HydrophobicContact CB-CB 4.44Å; F479-L484 HydrophobicContact CD1-CB 3.79Å; F479-L484 HydrophobicContact CD1-CD1 4.39Å; F479-L484 PolarHBondContact O-N 3.05Å; F479-E485 WeakPolarHBondContact CD1-O 3.38Å; F479-Y486 HydrophobicContact CB-CD2 4.33Å; F479-Y486 AromaticContact CD2-CD2 3.68Å; F479-Y486 HydrophobicContact CD2-CD2 3.68Å; F479-Y486 HydrophobicContact CD2-CE2 4.13Å; F479-Y486 HydrophobicContact CE2-CD2 4.01Å; F479-Y486 HydrophobicContact CE2-CE2 4.15Å; F479-Y486 AromaticContact CG-CD2 3.95Å; F479-Y486 HydrophobicContact CG-CD2 3.95Å; F479-L487 HydrophobicContact CE1-CB 4.16Å; F479-L487 HydrophobicContact CE1-CG 4.45Å; F479-L487 HydrophobicContact CZ-CB 4.37Å
480	R	98.1	Very high	97.4	Very high	170 Å²	170	56.2 Å²	56.2	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-46.9	174.8	-72.7	-172.5	-65.2	133.7	-11.2	112.1	E476 D477 I478 L482 G483	E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3.06Å; D477-R480 PolarHBondContact O-N 3.18Å; D477-R480 IonicContact OD1-CZ 3.76Å; D477-R480 IonicContact OD1-NE 2.72Å; D477-R480 IonicContact OD1-NH2 3.83Å; D477-R480 PolarHBondContact OD1-NH2 3.03Å; I478-R480 VanDerWaalsContact C-N 3.34Å; I478-R480 PolarHBondContact O-N 3.2Å; R480-L482 VanDerWaalsContact C-N 3.25Å; R480-L482 PolarHBondContact O-N 2.93Å; R480-G483 PolarHBondContact O-N 3.23Å
481	H	97.5	Very high	97.6	Very high	74 Å²	74	56.9 Å²	56.9	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-33.2	176.1	-73.7	-55.4	0	0	0	113	L461 F470 D477 I478 G483	L461-H481 HydrophobicContact CD2-CB 3.78Å; F470-H481 HydrophobicContact CD1-CB 4.39Å; F470-H481 AromaticContact CD1-CE1 3.6Å; F470-H481 AromaticContact CD1-CG 3.73Å; F470-H481 AromaticContact CD1-ND1 3.42Å; F470-H481 WeakPolarHBondContact CD1-ND1 3.48Å; F470-H481 AromaticContact CD1-NE2 3.98Å; F470-H481 AromaticContact CE1-ND1 3.73Å; D477-H481 PolarHBondContact O-CD2 2.95Å; D477-H481 PolarHBondContact O-N 3.49Å; I478-H481 PolarHBondContact O-N 3.36Å; H481-G483 VanDerWaalsContact C-N 3.29Å
482	L	97.7	Very high	97.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.9	174.8	-64.6	176.1	0	0	0	113.3	L444 F447 S448 K452 L454 L456 L461 I478 F479 R480 L484	L444-L482 HydrophobicContact CD1-CD1 3.7Å; L444-L482 HydrophobicContact CG-CD1 4.31Å; F447-L482 HydrophobicContact CE1-CB 4.45Å; F447-L482 WeakPolarHBondContact CE1-O 3.37Å; S448-L482 WeakPolarHBondContact OG-CD2 3.41Å; K452-L482 WeakPolarHBondContact CD-O 3.47Å; K452-L482 WeakPolarHBondContact CE-O 3.47Å; K452-L482 HydrophobicContact CG-CD2 4.4Å; K452-L482 PolarHBondContact NZ-O 2.86Å; L454-L482 HydrophobicContact CD1-CD2 4.28Å; L456-L482 HydrophobicContact CD2-CD1 4.23Å; L461-L482 HydrophobicContact CD1-CD2 4.03Å; L461-L482 HydrophobicContact CD2-CD2 4.26Å; L461-L482 HydrophobicContact CD2-CG 4.49Å; I478-L482 HydrophobicContact CG2-CD1 4.16Å; I478-L482 WeakPolarHBondContact O-CG 3.39Å; I478-L482 PolarHBondContact O-N 3.42Å; F479-L482 CarbonylContact O-C 3.51Å; F479-L482 PolarHBondContact O-N 3.22Å; R480-L482 VanDerWaalsContact C-N 3.25Å; R480-L482 PolarHBondContact O-N 2.93Å; L482-L484 VanDerWaalsContact C-N 3.29Å; L482-L484 HydrophobicContact CB-CD1 3.99Å; L482-L484 HydrophobicContact CB-CG 4.13Å; L482-L484 HydrophobicContact CD1-CD1 4.3Å; L482-L484 PolarHBondContact O-N 3.12Å
483	G	97.3	Very high	98	Very high	51 Å²	51	50.2 Å²	50.2	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	41.7	-174.6	0	0	0	0	0	112.5	F479 R480 H481	F479-G483 PolarHBondContact O-N 3.28Å; R480-G483 PolarHBondContact O-N 3.23Å; H481-G483 VanDerWaalsContact C-N 3.29Å
484	L	97.8	Very high	98.1	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.099	23%	0.23	C	C	.	.			trans	-110.4	147.8	175.5	-70.3	172.3	0	0	0	109.9	C143 Q144 L444 F447 F479 L482	C143-L484 HydrophobicContact CB-CD1 4.12Å; Q144-L484 HydrophobicContact CG-CD2 3.54Å; L444-L484 HydrophobicContact CD1-CD1 3.53Å; F447-L484 HydrophobicContact CD1-CD1 3.83Å; F447-L484 HydrophobicContact CD1-CD2 4.13Å; F447-L484 HydrophobicContact CD1-CG 4.15Å; F447-L484 HydrophobicContact CE1-CD1 3.84Å; F447-L484 HydrophobicContact CE1-CD2 3.58Å; F447-L484 HydrophobicContact CE1-CG 3.63Å; F447-L484 HydrophobicContact CE2-CD2 4.14Å; F447-L484 HydrophobicContact CZ-CD2 3.59Å; F447-L484 HydrophobicContact CZ-CG 4.12Å; F479-L484 HydrophobicContact CB-CB 4.44Å; F479-L484 HydrophobicContact CD1-CB 3.79Å; F479-L484 HydrophobicContact CD1-CD1 4.39Å; F479-L484 PolarHBondContact O-N 3.05Å; L482-L484 VanDerWaalsContact C-N 3.29Å; L482-L484 HydrophobicContact CB-CD1 3.99Å; L482-L484 HydrophobicContact CB-CG 4.13Å; L482-L484 HydrophobicContact CD1-CD1 4.3Å; L482-L484 PolarHBondContact O-N 3.12Å
485	E	97.2	Very high	98.1	Very high	155 Å²	155	46.3 Å²	46.3	72%	0.724	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-64.4	135.4	164.7	-174.1	178.2	175.5	0	0	109.3	F479 L487	F479-E485 WeakPolarHBondContact CD1-O 3.38Å; E485-L487 PolarHBondContact O-N 3.28Å
486	Y	98.4	Very high	98.1	Very high	75 Å²	75	48.3 Å²	48.3	29%	0.294	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67	125.3	179.6	178.7	-106.4	0	0	0	110.6	E475 E476 F479 P488 R492	E475-Y486 HydrophobicContact CB-CE2 3.92Å; E475-Y486 PolarHBondContact OE2-OH 2.94Å; E476-Y486 HydrophobicContact CB-CD2 4.21Å; E476-Y486 HydrophobicContact CB-CE2 4.48Å; E476-Y486 HydrophobicContact CG-CD1 4.08Å; E476-Y486 HydrophobicContact CG-CD2 3.61Å; E476-Y486 HydrophobicContact CG-CE1 4.14Å; E476-Y486 HydrophobicContact CG-CE2 3.66Å; E476-Y486 HydrophobicContact CG-CG 3.81Å; F479-Y486 HydrophobicContact CB-CD2 4.33Å; F479-Y486 AromaticContact CD2-CD2 3.68Å; F479-Y486 HydrophobicContact CD2-CD2 3.68Å; F479-Y486 HydrophobicContact CD2-CE2 4.13Å; F479-Y486 HydrophobicContact CE2-CD2 4.01Å; F479-Y486 HydrophobicContact CE2-CE2 4.15Å; F479-Y486 AromaticContact CG-CD2 3.95Å; F479-Y486 HydrophobicContact CG-CD2 3.95Å; Y486-P488 HydrophobicContact CE1-CB 4.2Å; Y486-R492 PolarHBondContact OH-NH2 2.88Å
487	L	98.4	Very high	98	Very high	11 Å²	11	45 Å²	45	6%	0.058	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-103.5	120.7	171.8	-66.9	174	0	0	0	108.8	C143 R145 P146 F440 F479 E485 Q491 R492	C143-L487 WeakPolarHBondContact O-CD1 3.48Å; R145-L487 WeakPolarHBondContact O-CD1 3.34Å; P146-L487 HydrophobicContact CB-CD2 4Å; F440-L487 HydrophobicContact CE2-CD1 3.81Å; F440-L487 HydrophobicContact CZ-CD1 4.29Å; F479-L487 HydrophobicContact CE1-CB 4.16Å; F479-L487 HydrophobicContact CE1-CG 4.45Å; F479-L487 HydrophobicContact CZ-CB 4.37Å; E485-L487 PolarHBondContact O-N 3.28Å; L487-Q491 HydrophobicContact CB-CB 4.5Å; L487-Q491 HydrophobicContact CD2-CB 4.41Å; L487-R492 HydrophobicContact CB-CG 4.37Å; L487-R492 VanDerWaalsContact O-CZ 3.22Å; L487-R492 PolarHBondContact O-NE 3.24Å; L487-R492 PolarHBondContact O-NH2 2.77Å
488	P	98.4	Very high	98	Very high	47 Å²	47	46.8 Å²	46.8	31%	0.305	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-66.2	157.9	174	30.7	-35.9	0	0	0	110.4	Y486 E490 Q491 R492	Y486-P488 HydrophobicContact CE1-CB 4.2Å; P488-E490 PolarHBondContact O-N 3.27Å; P488-E490 VanDerWaalsContact O-N 3.1Å; P488-Q491 HydrophobicContact CG-CB 4.21Å; P488-Q491 HydrophobicContact CG-CG 3.76Å; P488-Q491 PolarHBondContact O-N 3.13Å; P488-R492 WeakPolarHBondContact O-CG 3.48Å
489	P	98.7	Very high	98	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.058	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-50.2	-38	-174.8	-30.4	38.3	0	0	0	115	R322 R323 T435 Q491 R492	R322-P489 HydrophobicContact CG-CB 4.12Å; R322-P489 HydrophobicContact CG-CG 4.3Å; R322-P489 WeakPolarHBondContact O-CB 3.41Å; R323-P489 WeakPolarHBondContact CB-O 3.3Å; R323-P489 WeakPolarHBondContact CG-O 3.24Å; T435-P489 HydrophobicContact CG2-CB 3.93Å; T435-P489 HydrophobicContact CG2-CG 4.44Å; P489-Q491 PolarHBondContact O-N 2.72Å; P489-R492 WeakPolarHBondContact O-CB 3.46Å; P489-R492 PolarHBondContact O-N 2.82Å
490	E	98.4	Very high	98	Very high	92 Å²	92	52.9 Å²	52.9	43%	0.43	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.2	-20.8	-179.4	-59.6	75	-164.2	0	0	112.9	P488 N493	P488-E490 PolarHBondContact O-N 3.27Å; P488-E490 VanDerWaalsContact O-N 3.1Å; E490-N493 PolarHBondContact O-ND2 3.17Å
491	Q	98.4	Very high	98	Very high	63 Å²	63	44.5 Å²	44.5	29%	0.294	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-97.9	9.5	177.6	-60.9	-62.5	-19.3	0	0	112.8	P146 T147 L487 P488 P489	P146-Q491 HydrophobicContact CB-CB 4.09Å; P146-Q491 HydrophobicContact CB-CG 4.25Å; T147-Q491 PolarHBondContact N-O 2.71Å; T147-Q491 CarbonylContact O-C 3.5Å; T147-Q491 WeakPolarHBondContact O-CA 3.29Å; L487-Q491 HydrophobicContact CB-CB 4.5Å; L487-Q491 HydrophobicContact CD2-CB 4.41Å; P488-Q491 HydrophobicContact CG-CB 4.21Å; P488-Q491 HydrophobicContact CG-CG 3.76Å; P488-Q491 PolarHBondContact O-N 3.13Å; P489-Q491 PolarHBondContact O-N 2.72Å
492	R	98.6	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-104.4	24.5	179.3	-52.8	180	-166.5	162	7.1	112.4	S437 F440 E475 Y486 L487 P488 P489 A494	S437-R492 VanDerWaalsContact CB-O 3.3Å; S437-R492 WeakPolarHBondContact CB-O 3.34Å; S437-R492 PolarHBondContact N-O 2.83Å; S437-R492 VanDerWaalsContact N-O 3.1Å; F440-R492 HydrophobicContact CB-CB 4.5Å; F440-R492 HydrophobicContact CD1-CB 4.2Å; F440-R492 HydrophobicContact CD1-CG 4.3Å; F440-R492 HydrophobicContact CD2-CB 3.83Å; F440-R492 HydrophobicContact CD2-CG 4.09Å; F440-R492 HydrophobicContact CE1-CB 4.42Å; F440-R492 HydrophobicContact CE1-CG 4.02Å; F440-R492 HydrophobicContact CE2-CB 4.05Å; F440-R492 HydrophobicContact CE2-CG 3.76Å; F440-R492 HydrophobicContact CG-CB 3.91Å; F440-R492 HydrophobicContact CG-CG 4.35Å; F440-R492 HydrophobicContact CZ-CB 4.36Å; F440-R492 HydrophobicContact CZ-CG 3.75Å; E475-R492 VanDerWaalsContact CD-NH1 3.33Å; E475-R492 IonicContact OE1-CZ 3.92Å; E475-R492 IonicContact OE1-NH1 3.2Å; E475-R492 PolarHBondContact OE1-NH1 3.17Å; E475-R492 IonicContact OE1-NH2 3.48Å; E475-R492 IonicContact OE2-CZ 2.75Å; E475-R492 IonicContact OE2-NH1 2.98Å; E475-R492 PolarHBondContact OE2-NH1 3.02Å; E475-R492 IonicContact OE2-NH2 3.99Å; E475-R492 PolarHBondContact OE2-NH2 3.14Å; Y486-R492 PolarHBondContact OH-NH2 2.88Å; L487-R492 HydrophobicContact CB-CG 4.37Å; L487-R492 VanDerWaalsContact O-CZ 3.22Å; L487-R492 PolarHBondContact O-NE 3.24Å; L487-R492 PolarHBondContact O-NH2 2.77Å; P488-R492 WeakPolarHBondContact O-CG 3.48Å; P489-R492 WeakPolarHBondContact O-CB 3.46Å; P489-R492 PolarHBondContact O-N 2.82Å; R492-A494 PolarHBondContact O-N 3.47Å; R492-A494 VanDerWaalsContact O-N 3.12Å
493	N	98.5	Very high	98.1	Very high	14 Å²	14	45.7 Å²	45.7	8%	0.075	25%	0.247	C	C	.	.			trans	-85.4	39.5	-178.5	-71.3	-64.2	0	0	0	113.4	T147 R323 E490	T147-N493 VanDerWaalsContact CG2-O 3.26Å; T147-N493 WeakPolarHBondContact CG2-O 3.37Å; T147-N493 WeakPolarHBondContact O-CB 3.37Å; T147-N493 PolarHBondContact O-N 2.87Å; T147-N493 VanDerWaalsContact O-N 3.08Å; R323-N493 WeakPolarHBondContact CB-OD1 3.27Å; R323-N493 PolarHBondContact NE-OD1 3Å; R323-N493 PolarHBondContact O-ND2 3.36Å; E490-N493 PolarHBondContact O-ND2 3.17Å
494	A	96.5	Very high	98.1	Very high	12 Å²	12	45.2 Å²	45.2	10%	0.099	22%	0.222	C	C	.	.			trans	-60.4	0	177.6	0	0	0	0	0	112.8	A142 S184 K187 S437 L439 F440 R492	A142-A494 HydrophobicContact CB-CB 3.72Å; S184-A494 WeakPolarHBondContact CB-OXT 3.42Å; K187-A494 PolarHBondContact NZ-OXT 2.99Å; S437-A494 PolarHBondContact OG-O 3.41Å; L439-A494 HydrophobicContact CB-CB 4.47Å; L439-A494 HydrophobicContact CD2-CB 4.4Å; F440-A494 HydrophobicContact CB-CB 4.21Å; R492-A494 PolarHBondContact O-N 3.47Å; R492-A494 VanDerWaalsContact O-N 3.12Å

Retrieved 494 of 494 residues in 379.7 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).