A0A077ZDV7_TRITR Loading...

Diphosphomevalonate decarboxylase

Catalyzes the ATP dependent decarboxylation of (R)-5-diphosphomevalonate to form isopentenyl diphosphate (IPP). Functions in the mevalonate (MVA) pathway leading to isopentenyl diphosphate (IPP), a key precursor for the biosynthesis of isoprenoids and sterol synthesis.

AlphaFold DB , UniProt , Accession A0A077ZDV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.4	Very low	45.2	Very low	236 Å²	236	128.7 Å²	128.7	100%	1.163	71%	0.707	S	S	*	*				0	113.7	0	-95.6	173.2	162.3	0	0	106.5	I3	M1-I3 PolarHBondContact O-N 3.06Å
2	A	40.6	Very low	47.2	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	69%	0.689	S	S	*	*			trans	-66.2	123.7	165.1	0	0	0	0	0	106.7	S4	A2-S4 PolarHBondContact O-N 3.47Å; A2-S4 VanDerWaalsContact O-N 3.08Å
3	I	41.7	Very low	50.4	Low	97 Å²	97	128.3 Å²	128.3	50%	0.497	69%	0.686	S	S	.	*			trans	-69.6	107.6	172.3	-60.3	174.3	0	0	0	104.9	M1 L5 I92	M1-I3 PolarHBondContact O-N 3.06Å; I3-L5 PolarHBondContact O-N 3.22Å; I3-I92 HydrophobicContact CD1-CG2 4.33Å
4	S	40	Very low	53.6	Low	103 Å²	103	122 Å²	122	72%	0.72	66%	0.657	S	S	*	*			trans	-58.3	114.5	171.3	-176.1	0	0	0	0	106.8	A2 K6	A2-S4 PolarHBondContact O-N 3.47Å; A2-S4 VanDerWaalsContact O-N 3.08Å; S4-K6 PolarHBondContact O-N 2.85Å
5	L	44.1	Very low	56.5	Low	107 Å²	107	113.9 Å²	113.9	56%	0.56	61%	0.613	S	S	*	*			trans	-48.8	110.5	173.7	-71.2	161.8	0	0	0	107.5	I3 N7	I3-L5 PolarHBondContact O-N 3.22Å; L5-N7 PolarHBondContact O-N 3.2Å
6	K	43.6	Very low	59.1	Low	178 Å²	178	109.5 Å²	109.5	77%	0.774	59%	0.588	S	S	*	*	S	Bend	trans	-70.7	103.2	172.7	-85.2	-177.4	176	176.1	0	105.4	S4	S4-K6 PolarHBondContact O-N 2.85Å
7	N	43.6	Very low	61.4	Low	144 Å²	144	103.1 Å²	103.1	77%	0.77	55%	0.553	S	S	*	*	S	Bend	trans	70.3	133.8	-175.1	-56.8	-35.1	0	0	0	113.5	L5 G9	L5-N7 PolarHBondContact O-N 3.2Å; N7-G9 PolarHBondContact O-N 3.36Å
8	E	42.7	Very low	63.3	Low	200 Å²	200	101.5 Å²	101.5	94%	0.935	54%	0.538	S	S	*	.			trans	-66.6	54.3	157.4	-65.3	178.3	161.9	0	0	109.4	I10	E8-I10 PolarHBondContact O-N 3Å
9	G	45.8	Very low	65.1	Low	50 Å²	50	96.2 Å²	96.2	52%	0.515	51%	0.51	S	S	.	.			trans	-57.8	131.5	165.2	0	0	0	0	0	107.2	N7 L11	N7-G9 PolarHBondContact O-N 3.36Å; G9-L11 PolarHBondContact O-N 3.49Å
10	I	55.7	Low	66.5	Low	162 Å²	162	91.6 Å²	91.6	83%	0.831	49%	0.486	S	S	*	.			trans	-50.2	106	176.6	-61.6	167.3	0	0	0	107	E8 K12	E8-I10 PolarHBondContact O-N 3Å; I10-K12 PolarHBondContact O-N 2.84Å; I10-K12 VanDerWaalsContact O-N 3.16Å
11	L	63.9	Low	67.8	Low	44 Å²	44	87.5 Å²	87.5	23%	0.23	46%	0.464	C	S	.	.			trans	-50.3	125.7	174.2	-172.4	105.5	0	0	0	106.6	G9 E13 A59 M130 Y131	G9-L11 PolarHBondContact O-N 3.49Å; L11-E13 PolarHBondContact O-N 3.34Å; L11-A59 HydrophobicContact CD2-CB 3.63Å; L11-M130 HydrophobicContact CD1-CB 4.46Å; L11-M130 VanDerWaalsContact CD1-O 3.3Å; L11-M130 WeakPolarHBondContact CD1-O 3.33Å; L11-M130 HydrophobicContact CD2-CE 4.27Å; L11-Y131 HydrophobicContact CD1-CD1 3.97Å; L11-Y131 HydrophobicContact CD1-CD2 4.3Å; L11-Y131 HydrophobicContact CD1-CE1 3.64Å; L11-Y131 HydrophobicContact CD1-CE2 3.99Å; L11-Y131 HydrophobicContact CD1-CG 4.28Å
12	K	69.5	Low	70.6	Confident	111 Å²	111	76.3 Å²	76.3	48%	0.483	41%	0.409	S	S	.	.			trans	-56.3	109.8	170.2	-79.5	-169.1	174.9	-168.7	0	107.2	I10 S14 M130	I10-K12 PolarHBondContact O-N 2.84Å; I10-K12 VanDerWaalsContact O-N 3.16Å; K12-S14 PolarHBondContact O-N 3.31Å; K12-M130 WeakPolarHBondContact O-CE 3.33Å
13	E	88.6	Confident	73.2	Confident	141 Å²	141	71.8 Å²	71.8	66%	0.659	37%	0.372	S	S	*	.	S	Bend	trans	-67.8	-29	-173.2	-67.2	-172.3	159.8	0	0	112	L11 T58 A59	L11-E13 PolarHBondContact O-N 3.34Å; E13-T58 CarbonylContact O-C 3.54Å; E13-T58 VanDerWaalsContact O-CA 3.28Å; E13-T58 WeakPolarHBondContact O-CA 3.39Å; E13-A59 PolarHBondContact O-N 3.14Å
14	S	95.5	Very high	75.8	Confident	40 Å²	40	67.3 Å²	67.3	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.9	175	-165.2	0	0	0	0	110	K12 R56 I57 T58	K12-S14 PolarHBondContact O-N 3.31Å; S14-R56 PolarHBondContact OG-NH1 3.41Å; S14-I57 VanDerWaalsContact CA-O 3.25Å; S14-I57 WeakPolarHBondContact CA-O 3.2Å; S14-I57 PolarHBondContact OG-O 3.44Å; S14-T58 PolarHBondContact OG-OG1 3Å
15	L	97.3	Very high	78.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.4	169.1	57.6	70.1	0	0	0	111.2	I17 R56 I57 V129 M130 D375	L15-I17 HydrophobicContact CD1-CD1 3.57Å; L15-I17 HydrophobicContact CD1-CG1 3.52Å; L15-R56 WeakPolarHBondContact O-CA 3.25Å; L15-I57 HydrophobicContact CD1-CB 4.29Å; L15-I57 HydrophobicContact CD1-CD1 4.3Å; L15-I57 HydrophobicContact CD1-CG1 4.44Å; L15-I57 PolarHBondContact N-O 2.87Å; L15-I57 PolarHBondContact O-N 3.38Å; L15-V129 HydrophobicContact CD2-CB 3.98Å; L15-V129 HydrophobicContact CD2-CG1 3.74Å; L15-M130 HydrophobicContact CD2-CG 3.53Å; L15-M130 HydrophobicContact CD2-SD 4.49Å; L15-M130 HydrophobicContact CG-CG 4Å; L15-M130 HydrophobicContact CG-SD 4.37Å; L15-D375 VanDerWaalsContact CA-OD2 3.31Å; L15-D375 WeakPolarHBondContact CA-OD2 3.29Å
16	Q	97.9	Very high	81.2	Confident	44 Å²	44	57.4 Å²	57.4	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.8	175.6	-167.8	170.6	-6.9	0	0	110.8	T55 C373 I374 D375	Q16-T55 WeakPolarHBondContact CA-O 3.32Å; Q16-C373 CarbonylContact O-C 3.52Å; Q16-C373 WeakPolarHBondContact O-CA 3.44Å; Q16-I374 HydrophobicContact CB-CG1 3.94Å; Q16-I374 HydrophobicContact CG-CD1 3.83Å; Q16-I374 HydrophobicContact CG-CG1 3.74Å; Q16-I374 WeakPolarHBondContact O-CG1 3.33Å; Q16-I374 PolarHBondContact O-N 3.32Å; Q16-D375 HydrophobicContact CB-CB 4.41Å; Q16-D375 PolarHBondContact N-OD1 3.06Å
17	I	97.6	Very high	83.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.8	179.6	-56.6	-52.5	0	0	0	110.1	L15 D54 T55 A122 Y125 P371 K372 C373	L15-I17 HydrophobicContact CD1-CD1 3.57Å; L15-I17 HydrophobicContact CD1-CG1 3.52Å; I17-D54 CarbonylContact O-C 3.59Å; I17-D54 WeakPolarHBondContact O-CA 3.42Å; I17-T55 PolarHBondContact N-O 3.27Å; I17-T55 PolarHBondContact O-N 3.43Å; I17-A122 HydrophobicContact CB-CB 4.22Å; I17-A122 HydrophobicContact CG2-CB 3.99Å; I17-Y125 HydrophobicContact CD1-CD1 3.83Å; I17-Y125 HydrophobicContact CD1-CE1 4.17Å; I17-Y125 HydrophobicContact CG1-CD1 4.29Å; I17-Y125 HydrophobicContact CG2-CD1 4Å; I17-P371 HydrophobicContact CG2-CB 3.92Å; I17-K372 CarbonylContact C-O 3.53Å; I17-K372 WeakPolarHBondContact CA-O 3.29Å; I17-C373 HydrophobicContact CD1-CB 4.39Å
18	R	96.7	Very high	86.3	Confident	75 Å²	75	43.4 Å²	43.4	28%	0.283	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.6	161.1	-178.9	164.2	-67.1	-177.4	-0.6	109	F52 V53 D54 P371 K372 I374	R18-F52 HydrophobicContact CG-CB 3.81Å; R18-F52 HydrophobicContact CG-CD2 3.72Å; R18-F52 HydrophobicContact CG-CG 3.85Å; R18-F52 VanDerWaalsContact NE-CD2 3.29Å; R18-F52 VanDerWaalsContact NE-CE2 3.26Å; R18-V53 WeakPolarHBondContact CA-O 3.4Å; R18-D54 VanDerWaalsContact CB-OD1 3.28Å; R18-D54 WeakPolarHBondContact CB-OD1 3.41Å; R18-D54 WeakPolarHBondContact CG-OD1 2.95Å; R18-D54 IonicContact CZ-OD1 3.69Å; R18-D54 IonicContact CZ-OD2 3.86Å; R18-D54 IonicContact NE-OD1 2.72Å; R18-D54 PolarHBondContact NE-OD1 2.5Å; R18-D54 IonicContact NE-OD2 2.66Å; R18-D54 IonicContact NH2-OD1 3.34Å; R18-D54 PolarHBondContact NH2-OD1 2.74Å; R18-D54 IonicContact NH2-OD2 2.54Å; R18-D54 PolarHBondContact NH2-OD2 2.88Å; R18-P371 VanDerWaalsContact O-CA 3.25Å; R18-P371 WeakPolarHBondContact O-CA 3.29Å; R18-K372 HydrophobicContact CB-CG 4.28Å; R18-K372 PolarHBondContact N-O 3.39Å; R18-K372 PolarHBondContact O-N 3.19Å; R18-I374 HydrophobicContact CB-CD1 4.32Å; R18-I374 HydrophobicContact CB-CG2 3.69Å
19	A	95.9	Very high	88.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.7	175.6	0	0	0	0	0	111.6	F52 V53 A118 A122 P371	A19-F52 CarbonylContact O-C 3.54Å; A19-F52 VanDerWaalsContact O-CA 3.25Å; A19-F52 WeakPolarHBondContact O-CA 3.36Å; A19-F52 WeakPolarHBondContact O-CB 3.37Å; A19-V53 HydrophobicContact CB-CG2 4.22Å; A19-V53 PolarHBondContact N-O 3.5Å; A19-V53 PolarHBondContact O-N 2.77Å; A19-A118 WeakPolarHBondContact CB-O 3.34Å; A19-A122 HydrophobicContact CB-CB 3.55Å; A19-P371 HydrophobicContact CB-CB 3.98Å; A19-P371 HydrophobicContact CB-CG 4.08Å
20	P	94.1	Very high	91.3	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	154.6	176.8	32	-34.8	0	0	0	112.5	T47 I48 L51 A118 S152 T369	P20-T47 HydrophobicContact CB-CG2 3.44Å; P20-T47 VanDerWaalsContact CB-CG2 3.44Å; P20-T47 HydrophobicContact CG-CG2 3.11Å; P20-I48 VanDerWaalsContact CB-O 3.22Å; P20-I48 WeakPolarHBondContact CB-O 3.37Å; P20-L51 WeakPolarHBondContact CA-O 3.36Å; P20-A118 WeakPolarHBondContact O-CB 3.25Å; P20-S152 PolarHBondContact O-OG 2.87Å; P20-T369 WeakPolarHBondContact CG-O 3.42Å
21	V	92.8	Very high	93.2	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.036	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	168.6	165.4	-51.7	0	0	0	0	110.2	I48 L51 L113 A114 A118	V21-I48 HydrophobicContact CG2-CB 3.8Å; V21-I48 HydrophobicContact CG2-CD1 4.38Å; V21-I48 HydrophobicContact CG2-CG2 4.18Å; V21-I48 PolarHBondContact O-N 3.41Å; V21-L51 HydrophobicContact CB-CB 4.34Å; V21-L51 HydrophobicContact CG1-CB 4.04Å; V21-L51 HydrophobicContact CG2-CB 3.4Å; V21-L51 VanDerWaalsContact CG2-CB 3.4Å; V21-L51 HydrophobicContact CG2-CD1 3.84Å; V21-L51 HydrophobicContact CG2-CG 4.26Å; V21-L51 PolarHBondContact N-O 3.19Å; V21-L113 WeakPolarHBondContact CG1-O 3.31Å; V21-A114 HydrophobicContact CB-CB 4.49Å; V21-A118 HydrophobicContact CG1-CB 3.85Å
22	N	94.8	Very high	94.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.4	170.4	69.5	86.2	0	0	0	111	I46 S148 R151 S152	N22-I46 CarbonylContact C-O 3.5Å; N22-I46 VanDerWaalsContact CA-O 3.23Å; N22-I46 WeakPolarHBondContact CA-O 3.48Å; N22-I46 WeakPolarHBondContact CB-O 3.19Å; N22-S148 PolarHBondContact ND2-O 3.04Å; N22-R151 PolarHBondContact OD1-NE 3.17Å; N22-R151 PolarHBondContact OD1-NH2 2.77Å; N22-S152 PolarHBondContact ND2-OG 2.76Å
23	L	95.5	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.6	169.5	164.9	62.4	0	0	0	109.3	L25 S45 I46 I48 V191 F305 I307	L23-L25 HydrophobicContact CD2-CD2 4.13Å; L23-L25 HydrophobicContact CG-CD2 4.27Å; L23-L25 PolarHBondContact O-N 3.05Å; L23-S45 CarbonylContact O-C 3.58Å; L23-S45 WeakPolarHBondContact O-CA 3.22Å; L23-S45 WeakPolarHBondContact O-CB 3.44Å; L23-I46 HydrophobicContact CB-CG1 4.03Å; L23-I46 HydrophobicContact CD2-CD1 4.17Å; L23-I46 HydrophobicContact CD2-CG1 4.29Å; L23-I46 HydrophobicContact CG-CG1 4.43Å; L23-I46 PolarHBondContact N-O 3.14Å; L23-I46 PolarHBondContact O-N 3.21Å; L23-I48 HydrophobicContact CB-CD1 3.75Å; L23-V191 HydrophobicContact CD2-CG1 4.22Å; L23-F305 HydrophobicContact CB-CD1 4.22Å; L23-F305 HydrophobicContact CB-CE1 4.45Å; L23-F305 HydrophobicContact CD1-CB 3.87Å; L23-F305 HydrophobicContact CD1-CD1 4.18Å; L23-F305 HydrophobicContact CD1-CD2 3.69Å; L23-F305 HydrophobicContact CD1-CE2 4.24Å; L23-F305 HydrophobicContact CD1-CG 3.65Å; L23-F305 HydrophobicContact CD2-CB 3.6Å; L23-F305 HydrophobicContact CD2-CD1 4.14Å; L23-F305 HydrophobicContact CD2-CG 3.98Å; L23-F305 HydrophobicContact CG-CB 4.32Å; L23-F305 HydrophobicContact CG-CD1 4.41Å; L23-F305 HydrophobicContact CG-CG 4.25Å; L23-I307 HydrophobicContact CD2-CD1 3.97Å; L23-I307 HydrophobicContact CD2-CG1 4.11Å
24	A	97.4	Very high	95.7	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.033	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.2	171.1	0	0	0	0	0	111.2	K27 I44	A24-K27 HydrophobicContact CB-CD 3.84Å; A24-K27 WeakPolarHBondContact O-CE 3.44Å; A24-K27 PolarHBondContact O-NZ 3.33Å; A24-I44 CarbonylContact C-O 3.59Å
25	L	98.6	Very high	95.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-42.6	170.9	-58.2	-174.7	0	0	0	111.3	L23 I44 I46 F157 I238 L246 V250 E253 I307	L23-L25 HydrophobicContact CD2-CD2 4.13Å; L23-L25 HydrophobicContact CG-CD2 4.27Å; L23-L25 PolarHBondContact O-N 3.05Å; L25-I44 HydrophobicContact CB-CG2 4.23Å; L25-I44 HydrophobicContact CD1-CG2 4.16Å; L25-I44 PolarHBondContact N-O 3.17Å; L25-I46 HydrophobicContact CD1-CG2 3.68Å; L25-I46 HydrophobicContact CD2-CD1 4.02Å; L25-I46 HydrophobicContact CD2-CG1 4.05Å; L25-I46 HydrophobicContact CG-CG1 4.32Å; L25-I46 HydrophobicContact CG-CG2 4.32Å; L25-F157 HydrophobicContact CD1-CD1 4.22Å; L25-F157 HydrophobicContact CD1-CE1 4.45Å; L25-I238 HydrophobicContact CD1-CD1 4.15Å; L25-L246 HydrophobicContact CD1-CD1 4.31Å; L25-V250 HydrophobicContact CB-CG2 4Å; L25-V250 HydrophobicContact CD2-CG1 4.48Å; L25-V250 HydrophobicContact CD2-CG2 3.87Å; L25-V250 HydrophobicContact CG-CG2 4.42Å; L25-E253 WeakPolarHBondContact O-CB 3.49Å; L25-I307 HydrophobicContact CD2-CD1 3.34Å
26	V	98.7	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.2	166.1	178.3	0	0	0	0	107.2	S43 I44 V227 H230 I231 A234 E253	V26-S43 WeakPolarHBondContact O-CA 3.33Å; V26-S43 WeakPolarHBondContact O-CB 3.17Å; V26-I44 HydrophobicContact CB-CB 4.11Å; V26-I44 HydrophobicContact CB-CG1 4.48Å; V26-I44 HydrophobicContact CG2-CB 4.15Å; V26-I44 HydrophobicContact CG2-CD1 4.18Å; V26-I44 HydrophobicContact CG2-CG1 4.41Å; V26-I44 PolarHBondContact N-O 2.91Å; V26-I44 PolarHBondContact O-N 3.14Å; V26-V227 HydrophobicContact CG1-CG1 4.2Å; V26-H230 HydrophobicContact CG2-CB 4.38Å; V26-I231 HydrophobicContact CB-CD1 4.03Å; V26-I231 HydrophobicContact CG1-CD1 3.71Å; V26-I231 HydrophobicContact CG1-CG1 4.2Å; V26-I231 HydrophobicContact CG2-CD1 4.24Å; V26-A234 HydrophobicContact CG2-CB 3.91Å; V26-E253 WeakPolarHBondContact CA-OE2 3.38Å; V26-E253 HydrophobicContact CB-CG 4.49Å; V26-E253 VanDerWaalsContact CG1-OE2 3.31Å; V26-E253 WeakPolarHBondContact CG1-OE2 2.93Å; V26-E253 HydrophobicContact CG2-CG 4.28Å
27	K	98.1	Very high	94.9	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.115	C	C	.	.			trans	-77.7	135.5	-161.1	-49	-59.7	-166.1	175.2	0	113.1	A24 N41 R222 E253 L257 S297 F298 D299	A24-K27 HydrophobicContact CB-CD 3.84Å; A24-K27 WeakPolarHBondContact O-CE 3.44Å; A24-K27 PolarHBondContact O-NZ 3.33Å; K27-N41 PolarHBondContact O-ND2 3.17Å; K27-N41 VanDerWaalsContact O-ND2 3.14Å; K27-R222 PolarHBondContact O-NH2 3Å; K27-E253 HydrophobicContact CG-CB 4.32Å; K27-E253 PolarHBondContact N-OE2 3.15Å; K27-L257 HydrophobicContact CB-CB 4.42Å; K27-L257 HydrophobicContact CB-CD2 4.23Å; K27-L257 HydrophobicContact CD-CD2 4.2Å; K27-L257 HydrophobicContact CG-CB 4.01Å; K27-L257 HydrophobicContact CG-CD2 3.96Å; K27-S297 PolarHBondContact NZ-OG 3.18Å; K27-F298 WeakPolarHBondContact CE-O 3.31Å; K27-F298 PolarHBondContact NZ-O 2.88Å; K27-D299 IonicContact NZ-OD1 3.98Å; K27-D299 PolarHBondContact NZ-OD1 3.47Å
28	Y	96.4	Very high	94.7	Very high	27 Å²	27	23.4 Å²	23.4	11%	0.106	12%	0.117	C	C	.	.			trans	-86.6	109.9	165.5	165.1	-127.6	0	0	0	109.5	G30 P39 W160 M209	Y28-G30 WeakPolarHBondContact CE2-O 3.44Å; Y28-P39 HydrophobicContact CD2-CB 3.64Å; Y28-P39 HydrophobicContact CE2-CB 3.46Å; Y28-P39 VanDerWaalsContact CE2-CB 3.46Å; Y28-W160 AromaticContact CD1-CZ3 3.86Å; Y28-W160 HydrophobicContact CD1-CZ3 3.86Å; Y28-W160 HydrophobicContact CD2-CE3 4.44Å; Y28-W160 HydrophobicContact CD2-CH2 4.3Å; Y28-W160 AromaticContact CD2-CZ3 3.71Å; Y28-W160 HydrophobicContact CD2-CZ3 3.71Å; Y28-W160 HydrophobicContact CE1-CH2 4.26Å; Y28-W160 AromaticContact CE1-CZ3 3.88Å; Y28-W160 HydrophobicContact CE1-CZ3 3.88Å; Y28-W160 AromaticContact CE2-CH2 3.91Å; Y28-W160 HydrophobicContact CE2-CH2 3.91Å; Y28-W160 AromaticContact CE2-CZ3 3.77Å; Y28-W160 HydrophobicContact CE2-CZ3 3.77Å; Y28-W160 HydrophobicContact CG-CE3 4.39Å; Y28-W160 AromaticContact CG-CZ3 3.75Å; Y28-W160 HydrophobicContact CG-CZ3 3.75Å; Y28-W160 AromaticContact CZ-CH2 3.83Å; Y28-W160 AromaticContact CZ-CZ3 3.8Å; Y28-M209 HydrophobicContact CD1-CE 4.23Å; Y28-M209 HydrophobicContact CD2-CE 4.22Å; Y28-M209 HydrophobicContact CE1-CE 3.66Å; Y28-M209 HydrophobicContact CE1-SD 4.45Å; Y28-M209 HydrophobicContact CE2-CE 3.6Å
29	W	97.3	Very high	94.7	Very high	6 Å²	6	19.8 Å²	19.8	2%	0.023	10%	0.103	C	C	.	.			trans	-146.8	118.7	178.5	-162	-106.9	0	0	0	111.4	M209 S212 L257 L268 Y270 A300	W29-M209 HydrophobicContact CD2-CG 3.54Å; W29-M209 HydrophobicContact CE3-CG 3.4Å; W29-M209 VanDerWaalsContact CE3-CG 3.4Å; W29-M209 HydrophobicContact CE3-SD 4.22Å; W29-M209 HydrophobicContact CG-CG 4.2Å; W29-M209 HydrophobicContact CH2-CG 3.94Å; W29-M209 HydrophobicContact CZ2-CG 4.07Å; W29-M209 HydrophobicContact CZ3-CG 3.59Å; W29-M209 HydrophobicContact CZ3-SD 4.37Å; W29-S212 PolarHBondContact NE1-OG 2.83Å; W29-L257 HydrophobicContact CB-CD1 3.73Å; W29-L257 HydrophobicContact CD2-CD1 3.44Å; W29-L257 VanDerWaalsContact CD2-CD1 3.44Å; W29-L257 HydrophobicContact CE3-CD1 3.78Å; W29-L257 HydrophobicContact CG-CD1 3.43Å; W29-L257 VanDerWaalsContact CG-CD1 3.43Å; W29-L268 HydrophobicContact CZ2-CD1 4.01Å; W29-Y270 AromaticContact CH2-CE2 3.67Å; W29-Y270 HydrophobicContact CH2-CE2 3.67Å; W29-Y270 AromaticContact CH2-CZ 3.99Å; W29-Y270 HydrophobicContact CZ2-CE2 4.05Å; W29-A300 HydrophobicContact CH2-CB 3.74Å; W29-A300 HydrophobicContact CZ3-CB 3.48Å; W29-A300 VanDerWaalsContact CZ3-CB 3.48Å
30	G	96	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.			trans	91.3	154.3	-172.6	0	0	0	0	0	114.1	Y28 L40	Y28-G30 WeakPolarHBondContact CE2-O 3.44Å; G30-L40 PolarHBondContact O-N 2.84Å
31	K	94.5	Very high	94.7	Very high	17 Å²	17	22 Å²	22	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.4	-178	-48.5	-170.8	-159.1	86.8	0	109.9	E34 M37 I38 M209 N210	K31-E34 HydrophobicContact CD-CB 4.49Å; K31-E34 HydrophobicContact CD-CG 4.49Å; K31-E34 IonicContact NZ-OE1 3.41Å; K31-E34 PolarHBondContact NZ-OE1 3.4Å; K31-M37 HydrophobicContact CD-SD 3.65Å; K31-M37 VanDerWaalsContact CE-SD 3.55Å; K31-I38 CarbonylContact C-O 3.56Å; K31-I38 VanDerWaalsContact CA-O 3.28Å; K31-I38 WeakPolarHBondContact CA-O 3.41Å; K31-I38 WeakPolarHBondContact CB-O 3.5Å; K31-M209 HydrophobicContact CG-CE 3.81Å; K31-N210 PolarHBondContact NZ-OD1 3.27Å
32	L	92.3	Very high	94.9	Very high	62 Å²	62	22.4 Å²	22.4	33%	0.325	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-38.3	168.6	-175	64.7	0	0	0	110.8	I38 L40 L168 A171	L32-I38 HydrophobicContact CB-CG2 4.16Å; L32-I38 HydrophobicContact CD2-CG2 4.34Å; L32-I38 PolarHBondContact N-O 2.94Å; L32-L40 HydrophobicContact CB-CD2 4.12Å; L32-L40 HydrophobicContact CD1-CD2 4.23Å; L32-L168 HydrophobicContact CD2-CD2 3.95Å; L32-L168 HydrophobicContact CG-CD2 3.83Å; L32-A171 HydrophobicContact CD2-CB 3.87Å
33	D	91.6	Very high	95.1	Very high	35 Å²	35	22.3 Å²	22.3	19%	0.187	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	117.4	176.6	-174.1	-23.4	0	0	0	109.4	S35 Q36 M37 I38 L168	D33-S35 WeakPolarHBondContact OD1-CA 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.41Å; D33-S35 PolarHBondContact OD1-N 3.18Å; D33-S35 PolarHBondContact OD1-OG 3.31Å; D33-S35 PolarHBondContact OD2-OG 3.36Å; D33-Q36 HydrophobicContact CB-CB 4.3Å; D33-Q36 PolarHBondContact OD1-N 3.19Å; D33-Q36 VanDerWaalsContact OD1-N 3.08Å; D33-Q36 WeakPolarHBondContact OD2-CG 3.21Å; D33-M37 CarbonylContact O-C 3.49Å; D33-M37 VanDerWaalsContact O-CA 3.22Å; D33-M37 WeakPolarHBondContact O-CA 3.28Å; D33-M37 PolarHBondContact O-N 2.89Å; D33-I38 HydrophobicContact CB-CB 4Å; D33-I38 HydrophobicContact CB-CD1 4.06Å; D33-I38 HydrophobicContact CB-CG1 4.17Å; D33-I38 PolarHBondContact N-O 3.19Å; D33-I38 PolarHBondContact O-N 2.97Å; D33-L168 HydrophobicContact CB-CD2 3.73Å
34	E	90.7	Very high	95.2	Very high	88 Å²	88	22.3 Å²	22.3	41%	0.411	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-31.5	178.7	-177.5	156.1	-135.4	0	0	113.1	K31 Q36 M37 N210	K31-E34 HydrophobicContact CD-CB 4.49Å; K31-E34 HydrophobicContact CD-CG 4.49Å; K31-E34 IonicContact NZ-OE1 3.41Å; K31-E34 PolarHBondContact NZ-OE1 3.4Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 2.91Å; E34-M37 PolarHBondContact O-N 2.84Å; E34-N210 PolarHBondContact OE1-ND2 3.32Å; E34-N210 PolarHBondContact OE2-ND2 2.82Å
35	S	90.3	Very high	95.3	Very high	70 Å²	70	22.1 Å²	22.1	49%	0.49	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.3	179.1	77.1	0	0	0	0	111.1	D33	D33-S35 WeakPolarHBondContact OD1-CA 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.41Å; D33-S35 PolarHBondContact OD1-N 3.18Å; D33-S35 PolarHBondContact OD1-OG 3.31Å; D33-S35 PolarHBondContact OD2-OG 3.36Å
36	Q	91.3	Very high	95.2	Very high	75 Å²	75	22.1 Å²	22.1	35%	0.35	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-11	177.1	-63.9	-53.8	-55.8	0	0	112.6	D33 E34 I38 R143	D33-Q36 HydrophobicContact CB-CB 4.3Å; D33-Q36 PolarHBondContact OD1-N 3.19Å; D33-Q36 VanDerWaalsContact OD1-N 3.08Å; D33-Q36 WeakPolarHBondContact OD2-CG 3.21Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; E34-Q36 PolarHBondContact O-N 2.91Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 HydrophobicContact CB-CD1 3.92Å; Q36-I38 HydrophobicContact CB-CG1 3.77Å; Q36-R143 PolarHBondContact O-NH1 3.02Å
37	M	93.1	Very high	95.1	Very high	13 Å²	13	22.1 Å²	22.1	6%	0.064	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	45.1	-171.2	-60	-70.7	174.6	0	0	112.5	K31 D33 E34 R143	K31-M37 HydrophobicContact CD-SD 3.65Å; K31-M37 VanDerWaalsContact CE-SD 3.55Å; D33-M37 CarbonylContact O-C 3.49Å; D33-M37 VanDerWaalsContact O-CA 3.22Å; D33-M37 WeakPolarHBondContact O-CA 3.28Å; D33-M37 PolarHBondContact O-N 2.89Å; E34-M37 PolarHBondContact O-N 2.84Å; M37-R143 HydrophobicContact CB-CG 4.07Å; M37-R143 VanDerWaalsContact CB-O 3.27Å; M37-R143 WeakPolarHBondContact CB-O 3.5Å; M37-R143 WeakPolarHBondContact CG-O 3.23Å; M37-R143 WeakPolarHBondContact O-CG 3.43Å
38	I	93.7	Very high	94.8	Very high	6 Å²	6	22 Å²	22	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.8	173.1	-61.4	175.5	0	0	0	108.2	K31 L32 D33 Q36 V162 A171	K31-I38 CarbonylContact C-O 3.56Å; K31-I38 VanDerWaalsContact CA-O 3.28Å; K31-I38 WeakPolarHBondContact CA-O 3.41Å; K31-I38 WeakPolarHBondContact CB-O 3.5Å; L32-I38 HydrophobicContact CB-CG2 4.16Å; L32-I38 HydrophobicContact CD2-CG2 4.34Å; L32-I38 PolarHBondContact N-O 2.94Å; D33-I38 HydrophobicContact CB-CB 4Å; D33-I38 HydrophobicContact CB-CD1 4.06Å; D33-I38 HydrophobicContact CB-CG1 4.17Å; D33-I38 PolarHBondContact N-O 3.19Å; D33-I38 PolarHBondContact O-N 2.97Å; Q36-I38 VanDerWaalsContact C-N 3.35Å; Q36-I38 HydrophobicContact CB-CD1 3.92Å; Q36-I38 HydrophobicContact CB-CG1 3.77Å; I38-V162 HydrophobicContact CG2-CG2 3.88Å; I38-A171 HydrophobicContact CG2-CB 3.88Å
39	P	95.6	Very high	94.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	157.7	-176.6	35.4	-35.5	0	0	0	111.1	Y28 N41 W160 V162	Y28-P39 HydrophobicContact CD2-CB 3.64Å; Y28-P39 HydrophobicContact CE2-CB 3.46Å; Y28-P39 VanDerWaalsContact CE2-CB 3.46Å; P39-N41 VanDerWaalsContact C-N 3.27Å; P39-N41 WeakPolarHBondContact CB-O 3.42Å; P39-W160 HydrophobicContact CB-CH2 4Å; P39-W160 HydrophobicContact CB-CZ2 4.15Å; P39-W160 HydrophobicContact CB-CZ3 4.24Å; P39-W160 VanDerWaalsContact CD-CZ2 3.45Å; P39-W160 HydrophobicContact CG-CD2 4.17Å; P39-W160 HydrophobicContact CG-CE3 4.49Å; P39-W160 HydrophobicContact CG-CH2 4.02Å; P39-W160 HydrophobicContact CG-CZ2 3.66Å; P39-W160 HydrophobicContact CG-CZ3 4.42Å; P39-V162 HydrophobicContact CG-CB 3.98Å; P39-V162 HydrophobicContact CG-CG1 4.18Å; P39-V162 HydrophobicContact CG-CG2 4.35Å
40	L	94.9	Very high	94.1	Very high	44 Å²	44	26 Å²	26	23%	0.23	14%	0.136	C	C	.	.	S	Bend	trans	-70.6	-26.2	171.1	-78.6	-180	0	0	0	113	G30 L32 V213 L219 V223	G30-L40 PolarHBondContact O-N 2.84Å; L32-L40 HydrophobicContact CB-CD2 4.12Å; L32-L40 HydrophobicContact CD1-CD2 4.23Å; L40-V213 HydrophobicContact CD1-CG2 3.71Å; L40-L219 HydrophobicContact CD1-CD2 4.03Å; L40-L219 HydrophobicContact CD1-CG 4.37Å; L40-V223 HydrophobicContact CB-CG2 3.91Å; L40-V223 HydrophobicContact CD1-CG2 4.28Å; L40-V223 WeakPolarHBondContact O-CG1 3.21Å
41	N	95.5	Very high	93.7	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	14%	0.136	C	C	.	.	S	Bend	trans	-149.1	161.5	-172.6	64.1	-97.7	0	0	0	111.5	K27 P39 V223 V227	K27-N41 PolarHBondContact O-ND2 3.17Å; K27-N41 VanDerWaalsContact O-ND2 3.14Å; P39-N41 VanDerWaalsContact C-N 3.27Å; P39-N41 WeakPolarHBondContact CB-O 3.42Å; N41-V223 HydrophobicContact CB-CG1 4.37Å; N41-V223 HydrophobicContact CB-CG2 4.27Å; N41-V227 HydrophobicContact CB-CB 4.18Å; N41-V227 HydrophobicContact CB-CG1 3.92Å; N41-V227 HydrophobicContact CB-CG2 4.06Å
42	D	96.9	Very high	93.6	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.08	14%	0.141	C	C	.	.			trans	-59.6	152.4	171.7	-74.9	12.9	0	0	0	111.5	H159 W160 K161 V162 V227 I231	D42-H159 IonicContact OD2-CD2 2.74Å; D42-H159 IonicContact OD2-CE1 3.29Å; D42-H159 PolarHBondContact OD2-CE1 2.87Å; D42-H159 IonicContact OD2-NE2 2.84Å; D42-H159 PolarHBondContact OD2-NE2 3.32Å; D42-W160 CarbonylContact C-O 3.47Å; D42-W160 VanDerWaalsContact CA-O 3.22Å; D42-W160 WeakPolarHBondContact CA-O 3.45Å; D42-K161 WeakPolarHBondContact OD1-CA 3.45Å; D42-V162 PolarHBondContact OD1-N 3.05Å; D42-V227 HydrophobicContact CB-CG1 4.26Å; D42-V227 WeakPolarHBondContact O-CG1 3.34Å; D42-I231 HydrophobicContact CB-CD1 3.6Å; D42-I231 HydrophobicContact CB-CG1 3.71Å
43	S	98.3	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.3	170.6	55.7	0	0	0	0	111.5	V26 R151 H159 W160	V26-S43 WeakPolarHBondContact O-CA 3.33Å; V26-S43 WeakPolarHBondContact O-CB 3.17Å; S43-R151 PolarHBondContact OG-NH1 3.11Å; S43-H159 CarbonylContact O-C 3.13Å; S43-H159 WeakPolarHBondContact O-CA 3.25Å; S43-H159 PolarHBondContact O-CD2 3.18Å; S43-W160 PolarHBondContact N-O 2.94Å; S43-W160 PolarHBondContact O-N 3.39Å
44	I	98.8	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.9	173.9	-66.4	170.9	0	0	0	107.7	A24 L25 V26 V158 H159 I180 I231 A234 K235 I238	A24-I44 CarbonylContact C-O 3.59Å; L25-I44 HydrophobicContact CB-CG2 4.23Å; L25-I44 HydrophobicContact CD1-CG2 4.16Å; L25-I44 PolarHBondContact N-O 3.17Å; V26-I44 HydrophobicContact CB-CB 4.11Å; V26-I44 HydrophobicContact CB-CG1 4.48Å; V26-I44 HydrophobicContact CG2-CB 4.15Å; V26-I44 HydrophobicContact CG2-CD1 4.18Å; V26-I44 HydrophobicContact CG2-CG1 4.41Å; V26-I44 PolarHBondContact N-O 2.91Å; V26-I44 PolarHBondContact O-N 3.14Å; I44-V158 CarbonylContact C-O 3.59Å; I44-V158 VanDerWaalsContact CA-O 3.26Å; I44-V158 WeakPolarHBondContact CA-O 3.45Å; I44-H159 HydrophobicContact CG1-CB 4.46Å; I44-I180 HydrophobicContact CB-CD1 4.41Å; I44-I180 HydrophobicContact CD1-CD1 3.97Å; I44-I180 HydrophobicContact CG1-CD1 3.92Å; I44-I180 HydrophobicContact CG2-CD1 3.66Å; I44-I231 HydrophobicContact CD1-CD1 3.7Å; I44-I231 HydrophobicContact CD1-CG2 4.34Å; I44-I231 HydrophobicContact CG1-CD1 3.62Å; I44-A234 HydrophobicContact CD1-CB 3.88Å; I44-K235 HydrophobicContact CD1-CD 4.37Å; I44-K235 HydrophobicContact CD1-CG 3.67Å; I44-I238 HydrophobicContact CG2-CD1 3.96Å
45	S	98.2	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.2	173.3	60.3	0	0	0	0	112.9	L23 R151 F157 V158	L23-S45 CarbonylContact O-C 3.58Å; L23-S45 WeakPolarHBondContact O-CA 3.22Å; L23-S45 WeakPolarHBondContact O-CB 3.44Å; S45-R151 VanDerWaalsContact CB-NE 3.28Å; S45-R151 VanDerWaalsContact OG-CB 3.25Å; S45-R151 WeakPolarHBondContact OG-CB 3.41Å; S45-R151 WeakPolarHBondContact OG-CD 3.41Å; S45-R151 PolarHBondContact OG-NE 3.39Å; S45-F157 CarbonylContact O-C 3.59Å; S45-F157 WeakPolarHBondContact O-CA 3.3Å; S45-V158 PolarHBondContact N-O 2.83Å; S45-V158 PolarHBondContact O-N 2.85Å
46	I	97.5	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.6	162.6	52.7	-179.6	0	0	0	110.4	N22 L23 L25 G156 F157 V191 I307	N22-I46 CarbonylContact C-O 3.5Å; N22-I46 VanDerWaalsContact CA-O 3.23Å; N22-I46 WeakPolarHBondContact CA-O 3.48Å; N22-I46 WeakPolarHBondContact CB-O 3.19Å; L23-I46 HydrophobicContact CB-CG1 4.03Å; L23-I46 HydrophobicContact CD2-CD1 4.17Å; L23-I46 HydrophobicContact CD2-CG1 4.29Å; L23-I46 HydrophobicContact CG-CG1 4.43Å; L23-I46 PolarHBondContact N-O 3.14Å; L23-I46 PolarHBondContact O-N 3.21Å; L25-I46 HydrophobicContact CD1-CG2 3.68Å; L25-I46 HydrophobicContact CD2-CD1 4.02Å; L25-I46 HydrophobicContact CD2-CG1 4.05Å; L25-I46 HydrophobicContact CG-CG1 4.32Å; L25-I46 HydrophobicContact CG-CG2 4.32Å; I46-G156 WeakPolarHBondContact CA-O 3.44Å; I46-F157 HydrophobicContact CG2-CB 4.5Å; I46-F157 HydrophobicContact CG2-CD1 3.09Å; I46-F157 HydrophobicContact CG2-CE1 3.3Å; I46-F157 HydrophobicContact CG2-CG 3.82Å; I46-F157 HydrophobicContact CG2-CZ 4.17Å; I46-V191 HydrophobicContact CD1-CG2 3.35Å; I46-V191 HydrophobicContact CG1-CG2 4.43Å; I46-I307 HydrophobicContact CD1-CD1 4.28Å
47	T	95.8	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	147.6	175.5	-49.5	0	0	0	0	110.2	P20 Y154 G156 G368 T369	P20-T47 HydrophobicContact CB-CG2 3.44Å; P20-T47 VanDerWaalsContact CB-CG2 3.44Å; P20-T47 HydrophobicContact CG-CG2 3.11Å; T47-Y154 PolarHBondContact OG1-O 2.89Å; T47-Y154 VanDerWaalsContact OG1-O 3.13Å; T47-G156 PolarHBondContact N-O 3.13Å; T47-G156 VanDerWaalsContact N-O 3.1Å; T47-G368 WeakPolarHBondContact O-CA 3.23Å; T47-G368 PolarHBondContact O-N 3.22Å; T47-T369 WeakPolarHBondContact CG2-O 3.37Å
48	I	92.8	Very high	95	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	109.9	-174.9	-62.3	176.9	0	0	0	107.7	P20 V21 L23 L51 V191 F305 S365	P20-I48 VanDerWaalsContact CB-O 3.22Å; P20-I48 WeakPolarHBondContact CB-O 3.37Å; V21-I48 HydrophobicContact CG2-CB 3.8Å; V21-I48 HydrophobicContact CG2-CD1 4.38Å; V21-I48 HydrophobicContact CG2-CG2 4.18Å; V21-I48 PolarHBondContact O-N 3.41Å; L23-I48 HydrophobicContact CB-CD1 3.75Å; I48-L51 HydrophobicContact CG2-CB 4.02Å; I48-L51 HydrophobicContact CG2-CD1 4.36Å; I48-L51 HydrophobicContact CG2-CG 4.14Å; I48-V191 HydrophobicContact CD1-CB 4.44Å; I48-V191 HydrophobicContact CD1-CG1 3.91Å; I48-F305 HydrophobicContact CD1-CD1 3.77Å; I48-F305 HydrophobicContact CD1-CE1 3.62Å; I48-S365 WeakPolarHBondContact CG2-OG 3.16Å
49	N	89.3	Confident	95.2	Very high	50 Å²	50	19.1 Å²	19.1	27%	0.267	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-29.7	-170.3	-91.4	1.5	0	0	0	114.2	L51 F52 G368 T369	N49-L51 PolarHBondContact O-N 2.86Å; N49-F52 VanDerWaalsContact O-CD1 3.25Å; N49-F52 WeakPolarHBondContact O-CD1 3.17Å; N49-G368 WeakPolarHBondContact OD1-CA 3.35Å; N49-T369 VanDerWaalsContact CG-N 3.31Å; N49-T369 PolarHBondContact ND2-N 2.91Å; N49-T369 VanDerWaalsContact ND2-N 3.13Å; N49-T369 PolarHBondContact ND2-OG1 3.45Å; N49-T369 PolarHBondContact OD1-N 2.89Å; N49-T369 PolarHBondContact OD1-OG1 3.18Å
50	E	89.6	Confident	95.2	Very high	67 Å²	67	21.1 Å²	21.1	31%	0.313	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-11.9	-178.5	-71.5	73.7	-170.5	0	0	112.1	V363 S365 K366	E50-V363 HydrophobicContact CB-CG1 3.6Å; E50-S365 WeakPolarHBondContact OE2-CA 3.37Å; E50-S365 WeakPolarHBondContact OE2-CB 3.49Å; E50-S365 PolarHBondContact OE2-OG 3.4Å; E50-K366 PolarHBondContact OE2-N 3.07Å
51	L	88.1	Confident	94.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.3	165.3	-69.9	-172.2	0	0	0	109.4	P20 V21 I48 N49 F107 L113 V193 V363	P20-L51 WeakPolarHBondContact CA-O 3.36Å; V21-L51 HydrophobicContact CB-CB 4.34Å; V21-L51 HydrophobicContact CG1-CB 4.04Å; V21-L51 HydrophobicContact CG2-CB 3.4Å; V21-L51 VanDerWaalsContact CG2-CB 3.4Å; V21-L51 HydrophobicContact CG2-CD1 3.84Å; V21-L51 HydrophobicContact CG2-CG 4.26Å; V21-L51 PolarHBondContact N-O 3.19Å; I48-L51 HydrophobicContact CG2-CB 4.02Å; I48-L51 HydrophobicContact CG2-CD1 4.36Å; I48-L51 HydrophobicContact CG2-CG 4.14Å; N49-L51 PolarHBondContact O-N 2.86Å; L51-F107 HydrophobicContact CD2-CD1 4.07Å; L51-F107 HydrophobicContact CD2-CD2 3.71Å; L51-F107 HydrophobicContact CD2-CE1 3.5Å; L51-F107 HydrophobicContact CD2-CE2 3.17Å; L51-F107 HydrophobicContact CD2-CG 4.16Å; L51-F107 HydrophobicContact CD2-CZ 3.06Å; L51-L113 HydrophobicContact CD1-CB 4.45Å; L51-L113 HydrophobicContact CD1-CD1 4.35Å; L51-V193 HydrophobicContact CD1-CB 4.17Å; L51-V193 HydrophobicContact CD1-CG1 3.98Å; L51-V193 HydrophobicContact CD1-CG2 3.73Å; L51-V193 HydrophobicContact CG-CG2 4.39Å; L51-V363 HydrophobicContact CD2-CB 4.35Å; L51-V363 HydrophobicContact CD2-CG1 4.22Å; L51-V363 HydrophobicContact CD2-CG2 3.9Å; L51-V363 HydrophobicContact CG-CG1 4.32Å
52	F	91.4	Very high	94.3	Very high	42 Å²	42	27.3 Å²	27.3	18%	0.184	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	166.3	-176.8	59.9	-92.1	0	0	0	112.1	R18 A19 N49 L106	R18-F52 HydrophobicContact CG-CB 3.81Å; R18-F52 HydrophobicContact CG-CD2 3.72Å; R18-F52 HydrophobicContact CG-CG 3.85Å; R18-F52 VanDerWaalsContact NE-CD2 3.29Å; R18-F52 VanDerWaalsContact NE-CE2 3.26Å; A19-F52 CarbonylContact O-C 3.54Å; A19-F52 VanDerWaalsContact O-CA 3.25Å; A19-F52 WeakPolarHBondContact O-CA 3.36Å; A19-F52 WeakPolarHBondContact O-CB 3.37Å; N49-F52 VanDerWaalsContact O-CD1 3.25Å; N49-F52 WeakPolarHBondContact O-CD1 3.17Å; F52-L106 HydrophobicContact CZ-CD1 4.35Å
53	V	93.6	Very high	94	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.9	167.8	-52	0	0	0	0	108.6	R18 A19 E104 A118 A122	R18-V53 WeakPolarHBondContact CA-O 3.4Å; A19-V53 HydrophobicContact CB-CG2 4.22Å; A19-V53 PolarHBondContact N-O 3.5Å; A19-V53 PolarHBondContact O-N 2.77Å; V53-E104 CarbonylContact C-O 3.54Å; V53-E104 WeakPolarHBondContact CA-O 3.36Å; V53-A118 HydrophobicContact CB-CB 4.36Å; V53-A118 HydrophobicContact CG1-CB 3.74Å; V53-A118 VanDerWaalsContact CG2-C 3.44Å; V53-A118 HydrophobicContact CG2-CB 3.71Å; V53-A122 HydrophobicContact CG2-CB 4.14Å
54	D	95.6	Very high	93.8	Very high	29 Å²	29	36 Å²	36	16%	0.155	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.9	170.2	-72.8	-21.7	0	0	0	108.2	I17 R18 S103 E104	I17-D54 CarbonylContact O-C 3.59Å; I17-D54 WeakPolarHBondContact O-CA 3.42Å; R18-D54 VanDerWaalsContact CB-OD1 3.28Å; R18-D54 WeakPolarHBondContact CB-OD1 3.41Å; R18-D54 WeakPolarHBondContact CG-OD1 2.95Å; R18-D54 IonicContact CZ-OD1 3.69Å; R18-D54 IonicContact CZ-OD2 3.86Å; R18-D54 IonicContact NE-OD1 2.72Å; R18-D54 PolarHBondContact NE-OD1 2.5Å; R18-D54 IonicContact NE-OD2 2.66Å; R18-D54 IonicContact NH2-OD1 3.34Å; R18-D54 PolarHBondContact NH2-OD1 2.74Å; R18-D54 IonicContact NH2-OD2 2.54Å; R18-D54 PolarHBondContact NH2-OD2 2.88Å; D54-S103 CarbonylContact O-C 3.41Å; D54-S103 WeakPolarHBondContact O-CA 3.35Å; D54-E104 PolarHBondContact N-O 3.39Å; D54-E104 PolarHBondContact O-N 3.45Å
55	T	97.1	Very high	93.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117	-175.8	-58	0	0	0	0	110.4	Q16 I17 I57 V101 V102 S103 A122 I123	Q16-T55 WeakPolarHBondContact CA-O 3.32Å; I17-T55 PolarHBondContact N-O 3.27Å; I17-T55 PolarHBondContact O-N 3.43Å; T55-I57 HydrophobicContact CG2-CG1 4.19Å; T55-V101 HydrophobicContact CG2-CG1 3.49Å; T55-V101 VanDerWaalsContact CG2-CG1 3.49Å; T55-V102 CarbonylContact C-O 3.13Å; T55-V102 VanDerWaalsContact CA-O 3.3Å; T55-V102 WeakPolarHBondContact CA-O 3.36Å; T55-S103 PolarHBondContact OG1-OG 3.42Å; T55-A122 HydrophobicContact CG2-CB 4.33Å; T55-A122 WeakPolarHBondContact OG1-CB 3.47Å; T55-I123 HydrophobicContact CG2-CG1 4.03Å
56	R	98.1	Very high	93.7	Very high	91 Å²	91	43.2 Å²	43.2	34%	0.343	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.4	170.6	-178.9	163	-67.1	-77.7	-2	109.3	S14 L15 V101 V102	S14-R56 PolarHBondContact OG-NH1 3.41Å; L15-R56 WeakPolarHBondContact O-CA 3.25Å; R56-V101 CarbonylContact O-C 3.53Å; R56-V101 VanDerWaalsContact O-CA 3.3Å; R56-V101 WeakPolarHBondContact O-CA 3.39Å; R56-V102 PolarHBondContact N-O 3.31Å; R56-V102 PolarHBondContact O-N 3.01Å
57	I	98.1	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.9	175.6	-51.8	175	0	0	0	106.9	S14 L15 T55 F99 V101 I123 L127 M130	S14-I57 VanDerWaalsContact CA-O 3.25Å; S14-I57 WeakPolarHBondContact CA-O 3.2Å; S14-I57 PolarHBondContact OG-O 3.44Å; L15-I57 HydrophobicContact CD1-CB 4.29Å; L15-I57 HydrophobicContact CD1-CD1 4.3Å; L15-I57 HydrophobicContact CD1-CG1 4.44Å; L15-I57 PolarHBondContact N-O 2.87Å; L15-I57 PolarHBondContact O-N 3.38Å; T55-I57 HydrophobicContact CG2-CG1 4.19Å; I57-F99 HydrophobicContact CG2-CB 4.4Å; I57-F99 HydrophobicContact CG2-CD1 3.87Å; I57-F99 HydrophobicContact CG2-CG 4.44Å; I57-V101 HydrophobicContact CG1-CG2 4.38Å; I57-V101 HydrophobicContact CG2-CG2 4.23Å; I57-I123 WeakPolarHBondContact CD1-O 3.32Å; I57-L127 HydrophobicContact CD1-CG 4.42Å; I57-L127 HydrophobicContact CG2-CD2 4.05Å; I57-M130 HydrophobicContact CB-SD 4.29Å; I57-M130 HydrophobicContact CG2-SD 3.76Å
58	T	97.5	Very high	93.6	Very high	38 Å²	38	44.2 Å²	44.2	23%	0.233	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.8	177.8	-52.3	0	0	0	0	109.2	E13 S14 I60 F99 H100	E13-T58 CarbonylContact O-C 3.54Å; E13-T58 VanDerWaalsContact O-CA 3.28Å; E13-T58 WeakPolarHBondContact O-CA 3.39Å; S14-T58 PolarHBondContact OG-OG1 3Å; T58-I60 HydrophobicContact CG2-CG2 4.31Å; T58-F99 CarbonylContact O-C 3.58Å; T58-F99 WeakPolarHBondContact O-CA 3.28Å; T58-H100 PolarHBondContact N-O 2.89Å; T58-H100 PolarHBondContact O-N 3.24Å
59	A	96.7	Very high	93.6	Very high	14 Å²	14	46.3 Å²	46.3	12%	0.116	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.3	170.4	0	0	0	0	0	109.1	L11 E13 H98 F99 M130	L11-A59 HydrophobicContact CD2-CB 3.63Å; E13-A59 PolarHBondContact O-N 3.14Å; A59-H98 CarbonylContact C-O 3.52Å; A59-H98 WeakPolarHBondContact CA-O 3.15Å; A59-F99 HydrophobicContact CB-CD1 4.39Å; A59-F99 HydrophobicContact CB-CE1 4.21Å; A59-M130 HydrophobicContact CB-CE 3.79Å
60	I	95.2	Very high	93.7	Very high	41 Å²	41	47 Å²	47	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.8	-177.1	57.9	168.4	0	0	0	110.5	T58 G62 H98 H100	T58-I60 HydrophobicContact CG2-CG2 4.31Å; I60-G62 PolarHBondContact O-N 2.94Å; I60-H98 HydrophobicContact CD1-CB 4.27Å; I60-H98 HydrophobicContact CG1-CB 3.89Å; I60-H98 VanDerWaalsContact CG1-O 3.3Å; I60-H98 WeakPolarHBondContact CG1-O 3.39Å; I60-H98 PolarHBondContact N-O 3.06Å; I60-H98 PolarHBondContact O-N 2.8Å; I60-H100 HydrophobicContact CD1-CB 4.39Å; I60-H100 HydrophobicContact CG2-CB 4.22Å
61	D	89.2	Confident	93.7	Very high	142 Å²	142	47 Å²	47	76%	0.759	27%	0.269	S	S	*	.	S	Bend	trans	-84.8	30.6	171.7	-69.6	-52	0	0	0	112.4	K97	D61-K97 IonicContact OD1-NZ 2.77Å; D61-K97 PolarHBondContact OD1-NZ 2.96Å; D61-K97 IonicContact OD2-NZ 2.85Å; D61-K97 PolarHBondContact OD2-NZ 3.08Å; D61-K97 VanDerWaalsContact OD2-NZ 3.11Å
62	G	83.7	Confident	93.9	Very high	37 Å²	37	54 Å²	54	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	-83	-178.5	178.8	0	0	0	0	0	113.3	I60 H98	I60-G62 PolarHBondContact O-N 2.94Å; G62-H98 PolarHBondContact O-CE1 2.95Å; G62-H98 PolarHBondContact O-ND1 3.39Å
63	S	88.8	Confident	94.1	Very high	104 Å²	104	57.3 Å²	57.3	73%	0.727	31%	0.313	S	S	*	.	S	Bend	trans	-96.2	-6.8	178.6	57.8	0	0	0	0	114.4
64	E	94.6	Very high	94.1	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	32%	0.317	S	S	.	.	S	Bend	trans	-153.2	149.3	-174.5	66.5	-172.7	177.8	0	0	111.9	R66 H98	E64-R66 HydrophobicContact CG-CG 4.26Å; E64-R66 IonicContact OE1-CZ 3.59Å; E64-R66 IonicContact OE1-NE 3.61Å; E64-R66 PolarHBondContact OE1-NE 3.37Å; E64-R66 IonicContact OE1-NH2 2.75Å; E64-R66 PolarHBondContact OE1-NH2 3.41Å; E64-H98 VanDerWaalsContact C-CD2 3.49Å; E64-H98 WeakPolarHBondContact O-CB 3.19Å
65	D	97.5	Very high	93.8	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.091	33%	0.333	C	S	.	.			trans	-74.8	144.1	168.9	-58	-57.1	0	0	0	110	F79 F86 R90 H98 F99	D65-F79 HydrophobicContact CB-CE1 3.98Å; D65-F79 HydrophobicContact CB-CZ 3.67Å; D65-F79 WeakPolarHBondContact O-CZ 3.33Å; D65-F86 HydrophobicContact CB-CD2 3.59Å; D65-F86 HydrophobicContact CB-CE2 3.73Å; D65-F86 HydrophobicContact CB-CG 4.39Å; D65-F86 VanDerWaalsContact CG-CD2 3.43Å; D65-F86 WeakPolarHBondContact OD2-CB 3.47Å; D65-F86 WeakPolarHBondContact OD2-CD2 3.47Å; D65-R90 IonicContact OD1-NH1 2.69Å; D65-R90 PolarHBondContact OD1-NH1 3.24Å; D65-R90 VanDerWaalsContact OD1-NH1 3.09Å; D65-R90 IonicContact OD2-CZ 2.9Å; D65-R90 VanDerWaalsContact OD2-CZ 3.3Å; D65-R90 IonicContact OD2-NH1 3.31Å; D65-R90 PolarHBondContact OD2-NH1 2.7Å; D65-R90 IonicContact OD2-NH2 3.53Å; D65-R90 PolarHBondContact OD2-NH2 3.32Å; D65-H98 VanDerWaalsContact OD1-CA 3.22Å; D65-H98 WeakPolarHBondContact OD1-CA 3.3Å; D65-H98 IonicContact OD1-CD2 2.8Å; D65-H98 IonicContact OD1-CG 3.94Å; D65-H98 IonicContact OD2-CD2 3.66Å; D65-F99 CarbonylContact C-O 3.54Å; D65-F99 WeakPolarHBondContact CA-O 3.45Å; D65-F99 PolarHBondContact OD1-N 3.19Å
66	R	96.8	Very high	93.2	Very high	135 Å²	135	66.3 Å²	66.3	51%	0.509	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134	179.4	-64.8	-178.7	178.2	164.4	0.9	110.1	E64 F99 H100 V101	E64-R66 HydrophobicContact CG-CG 4.26Å; E64-R66 IonicContact OE1-CZ 3.59Å; E64-R66 IonicContact OE1-NE 3.61Å; E64-R66 PolarHBondContact OE1-NE 3.37Å; E64-R66 IonicContact OE1-NH2 2.75Å; E64-R66 PolarHBondContact OE1-NH2 3.41Å; R66-F99 PolarHBondContact N-O 3.23Å; R66-H100 CarbonylContact O-C 3.47Å; R66-H100 WeakPolarHBondContact O-CA 3.22Å; R66-V101 PolarHBondContact O-N 3.09Å
67	V	97.6	Very high	92.5	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.03	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.9	179.4	-177.5	0	0	0	0	109.1	V69 V74 F79 F82 F86 V101	V67-V69 HydrophobicContact CG1-CG2 4.17Å; V67-V74 HydrophobicContact CB-CB 4.24Å; V67-V74 HydrophobicContact CB-CG2 4.05Å; V67-V74 HydrophobicContact CG1-CG2 3.86Å; V67-V74 PolarHBondContact O-N 3.33Å; V67-F79 HydrophobicContact CB-CE2 3.9Å; V67-F79 HydrophobicContact CG2-CE2 3.53Å; V67-F79 HydrophobicContact CG2-CZ 3.84Å; V67-F82 HydrophobicContact CB-CD1 4.46Å; V67-F82 HydrophobicContact CG1-CD1 4.08Å; V67-F82 HydrophobicContact CG1-CE1 3.76Å; V67-F82 HydrophobicContact CG1-CE2 4.46Å; V67-F82 HydrophobicContact CG1-CZ 3.96Å; V67-F82 HydrophobicContact CG2-CB 4.16Å; V67-F82 HydrophobicContact CG2-CD1 3.84Å; V67-F82 HydrophobicContact CG2-CE1 4.38Å; V67-F82 HydrophobicContact CG2-CG 3.94Å; V67-F86 HydrophobicContact CG2-CE2 4Å; V67-F86 HydrophobicContact CG2-CZ 4.15Å; V67-V101 CarbonylContact C-O 3.51Å; V67-V101 VanDerWaalsContact CA-O 3.31Å; V67-V101 WeakPolarHBondContact CA-O 3.38Å; V67-V101 HydrophobicContact CG1-CB 4.32Å; V67-V101 HydrophobicContact CG1-CG1 4.36Å; V67-V101 HydrophobicContact CG2-CB 4.1Å
68	S	95.3	Very high	91.9	Very high	17 Å²	17	72.6 Å²	72.6	12%	0.119	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.5	166.3	64.1	0	0	0	0	110.5	R72 V101 S103	S68-R72 CarbonylContact C-O 3.6Å; S68-R72 WeakPolarHBondContact CA-O 3.38Å; S68-V101 PolarHBondContact N-O 3.19Å; S68-S103 PolarHBondContact O-N 2.74Å
69	V	92.5	Very high	91.7	Very high	43 Å²	43	71.6 Å²	71.6	26%	0.261	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120	177.9	-178.9	0	0	0	0	108.7	V67 G71 R72 V74 S103	V67-V69 HydrophobicContact CG1-CG2 4.17Å; V69-G71 VanDerWaalsContact C-N 3.25Å; V69-G71 PolarHBondContact O-N 3.45Å; V69-R72 PolarHBondContact N-O 2.8Å; V69-R72 PolarHBondContact O-N 2.85Å; V69-V74 HydrophobicContact CG2-CG2 4.03Å; V69-S103 CarbonylContact C-O 3.6Å; V69-S103 VanDerWaalsContact CA-O 3.32Å; V69-S103 WeakPolarHBondContact CA-O 3.12Å
70	N	90.3	Very high	91.6	Very high	64 Å²	64	72.5 Å²	72.5	34%	0.342	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	46.9	-177.4	-63.4	-23.1	0	0	0	112.3	R72 S103 E104 S105	N70-R72 PolarHBondContact O-N 2.85Å; N70-R72 VanDerWaalsContact O-N 3.16Å; N70-S103 PolarHBondContact N-O 2.97Å; N70-E104 WeakPolarHBondContact OD1-CA 3.15Å; N70-S105 PolarHBondContact ND2-OG 3.1Å; N70-S105 VanDerWaalsContact ND2-OG 3.1Å; N70-S105 PolarHBondContact OD1-N 2.79Å; N70-S105 PolarHBondContact OD1-OG 3Å
71	G	91	Very high	91.5	Very high	68 Å²	68	74 Å²	74	70%	0.701	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-10.4	-179.1	0	0	0	0	0	115.9	V69	V69-G71 VanDerWaalsContact C-N 3.25Å; V69-G71 PolarHBondContact O-N 3.45Å
72	R	91.4	Very high	91.9	Very high	149 Å²	149	68.4 Å²	68.4	56%	0.562	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.9	175.1	176	177.4	167	-171.4	-9.7	110.7	S68 V69 N70 E78	S68-R72 CarbonylContact C-O 3.6Å; S68-R72 WeakPolarHBondContact CA-O 3.38Å; V69-R72 PolarHBondContact N-O 2.8Å; V69-R72 PolarHBondContact O-N 2.85Å; N70-R72 PolarHBondContact O-N 2.85Å; N70-R72 VanDerWaalsContact O-N 3.16Å; R72-E78 IonicContact CZ-OE1 3.11Å; R72-E78 IonicContact CZ-OE2 2.78Å; R72-E78 IonicContact NH2-OE1 2.66Å; R72-E78 PolarHBondContact NH2-OE1 3.47Å; R72-E78 IonicContact NH2-OE2 3.39Å; R72-E78 PolarHBondContact NH2-OE2 2.95Å
73	I	94.7	Very high	92.5	Very high	110 Å²	110	72.9 Å²	72.9	56%	0.564	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.2	171.2	-61.8	173.7	0	0	0	109.3	E75	I73-E75 PolarHBondContact O-N 3.48Å
74	V	93.5	Very high	92.8	Very high	18 Å²	18	71.7 Å²	71.7	11%	0.109	36%	0.363	C	S	.	.			trans	-82.3	112.6	173.9	-178.2	0	0	0	0	108.6	V67 V69 E78 F79 F82	V67-V74 HydrophobicContact CB-CB 4.24Å; V67-V74 HydrophobicContact CB-CG2 4.05Å; V67-V74 HydrophobicContact CG1-CG2 3.86Å; V67-V74 PolarHBondContact O-N 3.33Å; V69-V74 HydrophobicContact CG2-CG2 4.03Å; V74-E78 HydrophobicContact CG1-CB 3.93Å; V74-F79 HydrophobicContact CB-CD2 4.22Å; V74-F79 HydrophobicContact CG1-CB 4.48Å; V74-F79 HydrophobicContact CG1-CD2 3.95Å; V74-F82 HydrophobicContact CB-CE2 4.43Å; V74-F82 HydrophobicContact CG1-CD2 4.01Å; V74-F82 HydrophobicContact CG1-CE2 3.79Å; V74-F82 HydrophobicContact CG2-CE2 4.05Å; V74-F82 HydrophobicContact CG2-CZ 4.38Å
75	E	90.7	Very high	93	Very high	108 Å²	108	67.3 Å²	67.3	51%	0.505	34%	0.343	S	S	.	.			trans	-76.2	165.4	-178.1	-62.9	-60.2	155	0	0	112.5	I73 D77 E78 F79	I73-E75 PolarHBondContact O-N 3.48Å; E75-D77 VanDerWaalsContact C-N 3.26Å; E75-D77 WeakPolarHBondContact CB-OD1 3.38Å; E75-D77 PolarHBondContact O-N 3.39Å; E75-D77 VanDerWaalsContact O-N 3.16Å; E75-E78 PolarHBondContact O-N 3.05Å; E75-E78 VanDerWaalsContact O-N 3.08Å; E75-F79 WeakPolarHBondContact O-CB 3.39Å; E75-F79 PolarHBondContact O-N 3.5Å
76	S	84.9	Confident	93	Very high	99 Å²	99	66.5 Å²	66.5	69%	0.692	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.2	-170.7	64.7	0	0	0	0	115.3
77	D	81.9	Confident	93	Very high	133 Å²	133	63.7 Å²	63.7	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.7	179.2	60.8	-23.7	0	0	0	112.8	E75	E75-D77 VanDerWaalsContact C-N 3.26Å; E75-D77 WeakPolarHBondContact CB-OD1 3.38Å; E75-D77 PolarHBondContact O-N 3.39Å; E75-D77 VanDerWaalsContact O-N 3.16Å
78	E	85.5	Confident	93	Very high	90 Å²	90	66.6 Å²	66.6	42%	0.421	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.3	175.3	-64.9	177	159.1	0	0	112.5	R72 V74 E75 G80	R72-E78 IonicContact CZ-OE1 3.11Å; R72-E78 IonicContact CZ-OE2 2.78Å; R72-E78 IonicContact NH2-OE1 2.66Å; R72-E78 PolarHBondContact NH2-OE1 3.47Å; R72-E78 IonicContact NH2-OE2 3.39Å; R72-E78 PolarHBondContact NH2-OE2 2.95Å; V74-E78 HydrophobicContact CG1-CB 3.93Å; E75-E78 PolarHBondContact O-N 3.05Å; E75-E78 VanDerWaalsContact O-N 3.08Å; E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.42Å
79	F	94.1	Very high	93.1	Very high	17 Å²	17	65.8 Å²	65.8	8%	0.075	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.2	-172.3	-153.8	-97.7	0	0	0	114.8	D65 V67 V74 E75 R81 F82 R83 F86	D65-F79 HydrophobicContact CB-CE1 3.98Å; D65-F79 HydrophobicContact CB-CZ 3.67Å; D65-F79 WeakPolarHBondContact O-CZ 3.33Å; V67-F79 HydrophobicContact CB-CE2 3.9Å; V67-F79 HydrophobicContact CG2-CE2 3.53Å; V67-F79 HydrophobicContact CG2-CZ 3.84Å; V74-F79 HydrophobicContact CB-CD2 4.22Å; V74-F79 HydrophobicContact CG1-CB 4.48Å; V74-F79 HydrophobicContact CG1-CD2 3.95Å; E75-F79 WeakPolarHBondContact O-CB 3.39Å; E75-F79 PolarHBondContact O-N 3.5Å; F79-R81 PolarHBondContact O-N 2.91Å; F79-F82 HydrophobicContact CD1-CB 4.31Å; F79-F82 HydrophobicContact CD2-CB 4.47Å; F79-F82 HydrophobicContact CD2-CD2 4.44Å; F79-F82 HydrophobicContact CE1-CB 4.07Å; F79-F82 HydrophobicContact CE2-CB 4.26Å; F79-F82 HydrophobicContact CG-CB 4.49Å; F79-F82 HydrophobicContact CZ-CB 4.05Å; F79-F82 PolarHBondContact O-N 3.32Å; F79-R83 HydrophobicContact CD1-CB 4.05Å; F79-R83 HydrophobicContact CE1-CB 4.4Å; F79-R83 PolarHBondContact O-N 3.48Å; F79-F86 HydrophobicContact CE1-CD2 4.34Å; F79-F86 HydrophobicContact CE1-CE2 4.36Å; F79-F86 HydrophobicContact CZ-CD2 4.39Å; F79-F86 AromaticContact CZ-CE2 3.99Å; F79-F86 HydrophobicContact CZ-CE2 3.99Å
80	G	93.5	Very high	93.3	Very high	32 Å²	32	65.7 Å²	65.7	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-55.5	-32.1	-171.3	0	0	0	0	0	114.6	E78 R84	E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.42Å; G80-R84 WeakPolarHBondContact O-CG 3.31Å; G80-R84 PolarHBondContact O-N 3.33Å; G80-R84 PolarHBondContact O-NH1 2.88Å
81	R	94.3	Very high	93.6	Very high	74 Å²	74	66.6 Å²	66.6	28%	0.279	35%	0.352	S	S	.	.	H	α-helix	trans	-70.4	-41	177.5	-58.6	177.6	62.5	-168.7	-3.4	112.5	F79 S116 F120 G145 S146	F79-R81 PolarHBondContact O-N 2.91Å; R81-S116 PolarHBondContact NH1-OG 2.83Å; R81-S116 PolarHBondContact NH2-OG 3.04Å; R81-F120 HydrophobicContact CB-CE1 4.23Å; R81-F120 HydrophobicContact CB-CE2 4.2Å; R81-F120 HydrophobicContact CB-CZ 3.51Å; R81-F120 VanDerWaalsContact CZ-CE2 3.44Å; R81-F120 VanDerWaalsContact NH2-CE2 3.31Å; R81-G145 PolarHBondContact NE-O 2.86Å; R81-G145 PolarHBondContact NH2-O 2.96Å; R81-S146 VanDerWaalsContact NH2-CA 3.34Å; R81-S146 PolarHBondContact NH2-OG 3.46Å; R81-S146 VanDerWaalsContact NH2-OG 3.09Å
82	F	96.8	Very high	93.9	Very high	23 Å²	23	64.9 Å²	64.9	10%	0.101	33%	0.326	C	S	.	.	H	α-helix	trans	-69.8	-44.1	177.4	-60	-81	0	0	0	111.1	V67 V74 F79 R84 V85 F86 F120 I123	V67-F82 HydrophobicContact CB-CD1 4.46Å; V67-F82 HydrophobicContact CG1-CD1 4.08Å; V67-F82 HydrophobicContact CG1-CE1 3.76Å; V67-F82 HydrophobicContact CG1-CE2 4.46Å; V67-F82 HydrophobicContact CG1-CZ 3.96Å; V67-F82 HydrophobicContact CG2-CB 4.16Å; V67-F82 HydrophobicContact CG2-CD1 3.84Å; V67-F82 HydrophobicContact CG2-CE1 4.38Å; V67-F82 HydrophobicContact CG2-CG 3.94Å; V74-F82 HydrophobicContact CB-CE2 4.43Å; V74-F82 HydrophobicContact CG1-CD2 4.01Å; V74-F82 HydrophobicContact CG1-CE2 3.79Å; V74-F82 HydrophobicContact CG2-CE2 4.05Å; V74-F82 HydrophobicContact CG2-CZ 4.38Å; F79-F82 HydrophobicContact CD1-CB 4.31Å; F79-F82 HydrophobicContact CD2-CB 4.47Å; F79-F82 HydrophobicContact CD2-CD2 4.44Å; F79-F82 HydrophobicContact CE1-CB 4.07Å; F79-F82 HydrophobicContact CE2-CB 4.26Å; F79-F82 HydrophobicContact CG-CB 4.49Å; F79-F82 HydrophobicContact CZ-CB 4.05Å; F79-F82 PolarHBondContact O-N 3.32Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.86Å; F82-V85 WeakPolarHBondContact O-CB 3.33Å; F82-V85 PolarHBondContact O-N 2.87Å; F82-F86 HydrophobicContact CB-CD2 4.32Å; F82-F86 HydrophobicContact CB-CE2 3.83Å; F82-F86 VanDerWaalsContact O-CD2 3.24Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 3.06Å; F82-F120 HydrophobicContact CD1-CD1 4.42Å; F82-F120 AromaticContact CD1-CE1 3.45Å; F82-F120 HydrophobicContact CD1-CE1 3.45Å; F82-F120 VanDerWaalsContact CD1-CE1 3.45Å; F82-F120 AromaticContact CD1-CZ 3.65Å; F82-F120 HydrophobicContact CD1-CZ 3.65Å; F82-F120 HydrophobicContact CD2-CZ 4.18Å; F82-F120 HydrophobicContact CE1-CD1 4.44Å; F82-F120 AromaticContact CE1-CE1 3.63Å; F82-F120 HydrophobicContact CE1-CE1 3.63Å; F82-F120 HydrophobicContact CE1-CE2 4.23Å; F82-F120 AromaticContact CE1-CZ 3.48Å; F82-F120 HydrophobicContact CE1-CZ 3.48Å; F82-F120 VanDerWaalsContact CE1-CZ 3.48Å; F82-F120 HydrophobicContact CE2-CZ 4.03Å; F82-F120 HydrophobicContact CG-CE1 4.01Å; F82-F120 HydrophobicContact CG-CZ 4.01Å; F82-F120 HydrophobicContact CZ-CE1 4.31Å; F82-F120 HydrophobicContact CZ-CE2 4.25Å; F82-F120 AromaticContact CZ-CZ 3.69Å; F82-F120 HydrophobicContact CZ-CZ 3.69Å; F82-I123 HydrophobicContact CD1-CD1 3.8Å; F82-I123 HydrophobicContact CE1-CD1 3.69Å
83	R	96.1	Very high	94.1	Very high	132 Å²	132	58.6 Å²	58.6	50%	0.498	30%	0.304	S	S	.	.	H	α-helix	trans	-51.8	-46.6	175.2	-172.1	179.5	-57.8	-123.5	0.4	112.4	F79 V85 F86 D87	F79-R83 HydrophobicContact CD1-CB 4.05Å; F79-R83 HydrophobicContact CE1-CB 4.4Å; F79-R83 PolarHBondContact O-N 3.48Å; R83-V85 VanDerWaalsContact C-N 3.26Å; R83-V85 PolarHBondContact O-N 3.4Å; R83-F86 PolarHBondContact O-N 3.42Å; R83-D87 VanDerWaalsContact CG-OD2 3.23Å; R83-D87 WeakPolarHBondContact CG-OD2 3.29Å; R83-D87 VanDerWaalsContact O-CB 3.28Å; R83-D87 WeakPolarHBondContact O-CB 3.22Å; R83-D87 VanDerWaalsContact O-CG 3.25Å; R83-D87 PolarHBondContact O-N 3.09Å
84	R	95.8	Very high	94.1	Very high	79 Å²	79	56.7 Å²	56.7	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-37.6	177.1	-74.2	-168.5	-55.5	-91	3.1	113.3	G80 F82 K88 L144	G80-R84 WeakPolarHBondContact O-CG 3.31Å; G80-R84 PolarHBondContact O-N 3.33Å; G80-R84 PolarHBondContact O-NH1 2.88Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.86Å; R84-K88 WeakPolarHBondContact O-CB 3.3Å; R84-K88 PolarHBondContact O-N 3.33Å; R84-K88 VanDerWaalsContact O-N 3.15Å; R84-L144 PolarHBondContact NE-O 2.77Å; R84-L144 VanDerWaalsContact NE-O 3.09Å; R84-L144 PolarHBondContact NH2-O 2.92Å
85	V	98	Very high	94.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-69.8	-51.1	179.1	-178.7	0	0	0	0	110.2	F82 R83 K88 L89 F120 I123 L127 L141	F82-V85 WeakPolarHBondContact O-CB 3.33Å; F82-V85 PolarHBondContact O-N 2.87Å; R83-V85 VanDerWaalsContact C-N 3.26Å; R83-V85 PolarHBondContact O-N 3.4Å; V85-K88 PolarHBondContact O-N 2.88Å; V85-L89 PolarHBondContact O-N 3.39Å; V85-F120 HydrophobicContact CG2-CD1 4.01Å; V85-F120 HydrophobicContact CG2-CE1 4.11Å; V85-I123 HydrophobicContact CG1-CG2 4.24Å; V85-L127 HydrophobicContact CG1-CD1 4.02Å; V85-L141 HydrophobicContact CG1-CB 4.14Å; V85-L141 HydrophobicContact CG1-CD2 4.29Å; V85-L141 WeakPolarHBondContact CG2-O 3.29Å
86	F	97.8	Very high	94.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-41.8	-178.3	-57.1	-49.3	0	0	0	112.5	D65 V67 F79 F82 R83 K88 L89 R90 F99 V101 I123 L127	D65-F86 HydrophobicContact CB-CD2 3.59Å; D65-F86 HydrophobicContact CB-CE2 3.73Å; D65-F86 HydrophobicContact CB-CG 4.39Å; D65-F86 VanDerWaalsContact CG-CD2 3.43Å; D65-F86 WeakPolarHBondContact OD2-CB 3.47Å; D65-F86 WeakPolarHBondContact OD2-CD2 3.47Å; V67-F86 HydrophobicContact CG2-CE2 4Å; V67-F86 HydrophobicContact CG2-CZ 4.15Å; F79-F86 HydrophobicContact CE1-CD2 4.34Å; F79-F86 HydrophobicContact CE1-CE2 4.36Å; F79-F86 HydrophobicContact CZ-CD2 4.39Å; F79-F86 AromaticContact CZ-CE2 3.99Å; F79-F86 HydrophobicContact CZ-CE2 3.99Å; F82-F86 HydrophobicContact CB-CD2 4.32Å; F82-F86 HydrophobicContact CB-CE2 3.83Å; F82-F86 VanDerWaalsContact O-CD2 3.24Å; F82-F86 WeakPolarHBondContact O-CD2 3.35Å; F82-F86 PolarHBondContact O-N 3.06Å; R83-F86 PolarHBondContact O-N 3.42Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.47Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 3.31Å; F86-R90 WeakPolarHBondContact O-CG 3.44Å; F86-R90 PolarHBondContact O-N 2.99Å; F86-F99 HydrophobicContact CD1-CB 4.48Å; F86-F99 AromaticContact CD1-CD2 3.59Å; F86-F99 HydrophobicContact CD1-CD2 3.59Å; F86-F99 HydrophobicContact CD1-CE2 4.25Å; F86-F99 HydrophobicContact CD1-CG 4.29Å; F86-F99 HydrophobicContact CE1-CB 4Å; F86-F99 AromaticContact CE1-CD2 3.93Å; F86-F99 HydrophobicContact CE1-CD2 3.93Å; F86-F99 HydrophobicContact CE1-CG 4.17Å; F86-F99 HydrophobicContact CG-CD2 4.26Å; F86-F99 HydrophobicContact CZ-CB 4.32Å; F86-V101 HydrophobicContact CE1-CG2 4.3Å; F86-V101 HydrophobicContact CZ-CG2 3.87Å; F86-I123 HydrophobicContact CE1-CG2 4.03Å; F86-I123 HydrophobicContact CZ-CG2 4.47Å; F86-L127 HydrophobicContact CD1-CD1 4.01Å; F86-L127 HydrophobicContact CE1-CD1 4.05Å
87	D	97	Very high	94.8	Very high	76 Å²	76	54.6 Å²	54.6	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.9	-70.4	-11.2	0	0	0	111.4	R83 R90 A91	R83-D87 VanDerWaalsContact CG-OD2 3.23Å; R83-D87 WeakPolarHBondContact CG-OD2 3.29Å; R83-D87 VanDerWaalsContact O-CB 3.28Å; R83-D87 WeakPolarHBondContact O-CB 3.22Å; R83-D87 VanDerWaalsContact O-CG 3.25Å; R83-D87 PolarHBondContact O-N 3.09Å; D87-R90 PolarHBondContact O-N 2.67Å; D87-R90 IonicContact OD1-CZ 2.66Å; D87-R90 IonicContact OD1-NE 2.71Å; D87-R90 IonicContact OD1-NH2 3.49Å; D87-R90 PolarHBondContact OD1-NH2 2.81Å; D87-A91 WeakPolarHBondContact O-CB 3.38Å; D87-A91 PolarHBondContact O-N 3.04Å
88	K	97.5	Very high	95.5	Very high	65 Å²	65	50 Å²	50	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-43.3	174.7	-179.1	66.7	174.7	-157.2	0	111.5	R84 V85 F86 R90 A91 I92 E140 L141 L144	R84-K88 WeakPolarHBondContact O-CB 3.3Å; R84-K88 PolarHBondContact O-N 3.33Å; R84-K88 VanDerWaalsContact O-N 3.15Å; V85-K88 PolarHBondContact O-N 2.88Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.47Å; K88-R90 PolarHBondContact O-N 2.82Å; K88-A91 PolarHBondContact O-N 2.85Å; K88-I92 HydrophobicContact CD-CD1 4.22Å; K88-I92 HydrophobicContact CD-CG1 4.44Å; K88-I92 HydrophobicContact CG-CD1 3.95Å; K88-I92 VanDerWaalsContact O-CG1 3.3Å; K88-I92 WeakPolarHBondContact O-CG1 3.49Å; K88-I92 PolarHBondContact O-N 3.23Å; K88-E140 VanDerWaalsContact CE-CD 3.45Å; K88-E140 WeakPolarHBondContact CE-OE1 3.46Å; K88-E140 IonicContact NZ-OE1 3.62Å; K88-E140 PolarHBondContact NZ-OE1 2.77Å; K88-E140 IonicContact NZ-OE2 2.71Å; K88-L141 HydrophobicContact CB-CD2 3.84Å; K88-L141 HydrophobicContact CG-CD2 3.68Å; K88-L144 HydrophobicContact CB-CD1 3.77Å; K88-L144 HydrophobicContact CD-CD1 4.21Å; K88-L144 HydrophobicContact CG-CD1 3.62Å
89	L	97.6	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-49.6	174.7	178.4	78.6	0	0	0	111	V85 F86 A91 I92 T93 F99 L127 Y131 L133 L141	V85-L89 PolarHBondContact O-N 3.39Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 3.31Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 3.42Å; L89-I92 PolarHBondContact O-N 2.72Å; L89-I92 VanDerWaalsContact O-N 3.16Å; L89-T93 HydrophobicContact CD1-CG2 4.03Å; L89-T93 HydrophobicContact CG-CG2 4.38Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 2.78Å; L89-T93 PolarHBondContact O-OG1 2.77Å; L89-F99 HydrophobicContact CD2-CE2 3.59Å; L89-F99 HydrophobicContact CD2-CZ 3.51Å; L89-L127 HydrophobicContact CD1-CB 4.2Å; L89-L127 HydrophobicContact CD2-CB 4.21Å; L89-L127 HydrophobicContact CD2-CD1 4.06Å; L89-L127 HydrophobicContact CD2-CD2 3.73Å; L89-L127 HydrophobicContact CD2-CG 4.2Å; L89-Y131 HydrophobicContact CD1-CD2 4.1Å; L89-Y131 HydrophobicContact CD1-CG 4.45Å; L89-Y131 HydrophobicContact CD2-CD2 4.07Å; L89-Y131 HydrophobicContact CD2-CE2 3.79Å; L89-Y131 HydrophobicContact CG-CD2 4.48Å; L89-L133 HydrophobicContact CD1-CD1 3.51Å; L89-L141 HydrophobicContact CB-CD2 4.36Å; L89-L141 HydrophobicContact CD1-CD1 4.02Å
90	R	97	Very high	96.2	Very high	42 Å²	42	48.6 Å²	48.6	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-39.8	178.2	-71.2	-174	-82.9	-98.5	0.8	111.7	D65 F86 D87 K88 I92 G94 S95 K97	D65-R90 IonicContact OD1-NH1 2.69Å; D65-R90 PolarHBondContact OD1-NH1 3.24Å; D65-R90 VanDerWaalsContact OD1-NH1 3.09Å; D65-R90 IonicContact OD2-CZ 2.9Å; D65-R90 VanDerWaalsContact OD2-CZ 3.3Å; D65-R90 IonicContact OD2-NH1 3.31Å; D65-R90 PolarHBondContact OD2-NH1 2.7Å; D65-R90 IonicContact OD2-NH2 3.53Å; D65-R90 PolarHBondContact OD2-NH2 3.32Å; F86-R90 WeakPolarHBondContact O-CG 3.44Å; F86-R90 PolarHBondContact O-N 2.99Å; D87-R90 PolarHBondContact O-N 2.67Å; D87-R90 IonicContact OD1-CZ 2.66Å; D87-R90 IonicContact OD1-NE 2.71Å; D87-R90 IonicContact OD1-NH2 3.49Å; D87-R90 PolarHBondContact OD1-NH2 2.81Å; K88-R90 PolarHBondContact O-N 2.82Å; R90-I92 VanDerWaalsContact C-N 3.33Å; R90-I92 PolarHBondContact O-N 3.43Å; R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.33Å; R90-G94 PolarHBondContact O-N 2.95Å; R90-S95 VanDerWaalsContact CG-O 3.25Å; R90-S95 WeakPolarHBondContact CG-O 3.38Å; R90-K97 PolarHBondContact NH1-O 3.31Å
91	A	97.4	Very high	96.5	Very high	83 Å²	83	47.1 Å²	47.1	69%	0.686	26%	0.255	S	S	*	.	H	α-helix	trans	-64.9	-33	176	0	0	0	0	0	113.5	D87 K88 L89	D87-A91 WeakPolarHBondContact O-CB 3.38Å; D87-A91 PolarHBondContact O-N 3.04Å; K88-A91 PolarHBondContact O-N 2.85Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 3.42Å
92	I	96.4	Very high	96.6	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-77.5	-43.9	177.9	-67	164	0	0	0	111.3	I3 K88 L89 R90 V137	I3-I92 HydrophobicContact CD1-CG2 4.33Å; K88-I92 HydrophobicContact CD-CD1 4.22Å; K88-I92 HydrophobicContact CD-CG1 4.44Å; K88-I92 HydrophobicContact CG-CD1 3.95Å; K88-I92 VanDerWaalsContact O-CG1 3.3Å; K88-I92 WeakPolarHBondContact O-CG1 3.49Å; K88-I92 PolarHBondContact O-N 3.23Å; L89-I92 PolarHBondContact O-N 2.72Å; L89-I92 VanDerWaalsContact O-N 3.16Å; R90-I92 VanDerWaalsContact C-N 3.33Å; R90-I92 PolarHBondContact O-N 3.43Å; I92-V137 HydrophobicContact CD1-CG1 3.74Å
93	T	95.7	Very high	96.5	Very high	18 Å²	18	45 Å²	45	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-96.2	-19.8	-167.6	59.1	0	0	0	0	113.9	L89 S95 Y131 L133	L89-T93 HydrophobicContact CD1-CG2 4.03Å; L89-T93 HydrophobicContact CG-CG2 4.38Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 WeakPolarHBondContact O-CG2 3.45Å; L89-T93 PolarHBondContact O-N 2.78Å; L89-T93 PolarHBondContact O-OG1 2.77Å; T93-S95 PolarHBondContact O-N 2.76Å; T93-S95 VanDerWaalsContact OG1-CB 3.27Å; T93-S95 WeakPolarHBondContact OG1-CB 3.37Å; T93-S95 PolarHBondContact OG1-N 2.78Å; T93-Y131 HydrophobicContact CG2-CD1 3.81Å; T93-Y131 HydrophobicContact CG2-CE1 4.49Å; T93-Y131 HydrophobicContact CG2-CG 4.04Å; T93-L133 HydrophobicContact CG2-CD1 4.29Å; T93-L133 HydrophobicContact CG2-CD2 4.06Å
94	G	95.5	Very high	96.4	Very high	70 Å²	70	44 Å²	44	72%	0.722	25%	0.254	S	S	*	.			trans	71.5	7.3	-168.1	0	0	0	0	0	113.9	R90	R90-G94 VanDerWaalsContact O-CA 3.3Å; R90-G94 WeakPolarHBondContact O-CA 3.33Å; R90-G94 PolarHBondContact O-N 2.95Å
95	S	94	Very high	96	Very high	21 Å²	21	41.4 Å²	41.4	15%	0.147	25%	0.247	C	C	.	.			trans	-61.8	139.8	-179.7	-179.1	0	0	0	0	112.3	R90 T93 K97 Y131	R90-S95 VanDerWaalsContact CG-O 3.25Å; R90-S95 WeakPolarHBondContact CG-O 3.38Å; T93-S95 PolarHBondContact O-N 2.76Å; T93-S95 VanDerWaalsContact OG1-CB 3.27Å; T93-S95 WeakPolarHBondContact OG1-CB 3.37Å; T93-S95 PolarHBondContact OG1-N 2.78Å; S95-K97 WeakPolarHBondContact OG-CB 3.39Å; S95-K97 PolarHBondContact OG-N 2.79Å; S95-K97 VanDerWaalsContact OG-N 3.08Å; S95-Y131 WeakPolarHBondContact CB-OH 3.39Å; S95-Y131 PolarHBondContact OG-OH 2.68Å
96	S	93.6	Very high	94.9	Very high	104 Å²	104	48 Å²	48	73%	0.727	28%	0.282	S	S	*	.			trans	-99.1	-0.6	168.8	57.9	0	0	0	0	113.3
97	K	95.4	Very high	93.6	Very high	55 Å²	55	49.1 Å²	49.1	24%	0.239	29%	0.287	C	S	.	.			trans	-67.8	147.3	-179.6	-65.8	-70.3	-171.9	174.9	0	110.9	D61 R90 S95 F99	D61-K97 IonicContact OD1-NZ 2.77Å; D61-K97 PolarHBondContact OD1-NZ 2.96Å; D61-K97 IonicContact OD2-NZ 2.85Å; D61-K97 PolarHBondContact OD2-NZ 3.08Å; D61-K97 VanDerWaalsContact OD2-NZ 3.11Å; R90-K97 PolarHBondContact NH1-O 3.31Å; S95-K97 WeakPolarHBondContact OG-CB 3.39Å; S95-K97 PolarHBondContact OG-N 2.79Å; S95-K97 VanDerWaalsContact OG-N 3.08Å; K97-F99 HydrophobicContact CB-CZ 4.4Å
98	H	96.5	Very high	91.8	Very high	37 Å²	37	47.5 Å²	47.5	17%	0.171	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	166.8	165	-65.8	89.6	0	0	0	109.6	A59 I60 G62 E64 D65	A59-H98 CarbonylContact C-O 3.52Å; A59-H98 WeakPolarHBondContact CA-O 3.15Å; I60-H98 HydrophobicContact CD1-CB 4.27Å; I60-H98 HydrophobicContact CG1-CB 3.89Å; I60-H98 VanDerWaalsContact CG1-O 3.3Å; I60-H98 WeakPolarHBondContact CG1-O 3.39Å; I60-H98 PolarHBondContact N-O 3.06Å; I60-H98 PolarHBondContact O-N 2.8Å; G62-H98 PolarHBondContact O-CE1 2.95Å; G62-H98 PolarHBondContact O-ND1 3.39Å; E64-H98 VanDerWaalsContact C-CD2 3.49Å; E64-H98 WeakPolarHBondContact O-CB 3.19Å; D65-H98 VanDerWaalsContact OD1-CA 3.22Å; D65-H98 WeakPolarHBondContact OD1-CA 3.3Å; D65-H98 IonicContact OD1-CD2 2.8Å; D65-H98 IonicContact OD1-CG 3.94Å; D65-H98 IonicContact OD2-CD2 3.66Å
99	F	97.6	Very high	90	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.6	-176.4	-56.2	-82.2	0	0	0	112	I57 T58 A59 D65 R66 F86 L89 K97 V101 L127 M130 Y131	I57-F99 HydrophobicContact CG2-CB 4.4Å; I57-F99 HydrophobicContact CG2-CD1 3.87Å; I57-F99 HydrophobicContact CG2-CG 4.44Å; T58-F99 CarbonylContact O-C 3.58Å; T58-F99 WeakPolarHBondContact O-CA 3.28Å; A59-F99 HydrophobicContact CB-CD1 4.39Å; A59-F99 HydrophobicContact CB-CE1 4.21Å; D65-F99 CarbonylContact C-O 3.54Å; D65-F99 WeakPolarHBondContact CA-O 3.45Å; D65-F99 PolarHBondContact OD1-N 3.19Å; R66-F99 PolarHBondContact N-O 3.23Å; F86-F99 HydrophobicContact CD1-CB 4.48Å; F86-F99 AromaticContact CD1-CD2 3.59Å; F86-F99 HydrophobicContact CD1-CD2 3.59Å; F86-F99 HydrophobicContact CD1-CE2 4.25Å; F86-F99 HydrophobicContact CD1-CG 4.29Å; F86-F99 HydrophobicContact CE1-CB 4Å; F86-F99 AromaticContact CE1-CD2 3.93Å; F86-F99 HydrophobicContact CE1-CD2 3.93Å; F86-F99 HydrophobicContact CE1-CG 4.17Å; F86-F99 HydrophobicContact CG-CD2 4.26Å; F86-F99 HydrophobicContact CZ-CB 4.32Å; L89-F99 HydrophobicContact CD2-CE2 3.59Å; L89-F99 HydrophobicContact CD2-CZ 3.51Å; K97-F99 HydrophobicContact CB-CZ 4.4Å; F99-V101 HydrophobicContact CB-CG2 4.21Å; F99-L127 HydrophobicContact CD1-CD2 3.69Å; F99-L127 HydrophobicContact CD2-CD2 4.19Å; F99-L127 HydrophobicContact CE1-CD2 3.49Å; F99-L127 VanDerWaalsContact CE1-CD2 3.49Å; F99-L127 HydrophobicContact CE2-CD2 4.03Å; F99-L127 HydrophobicContact CG-CD2 4.04Å; F99-L127 HydrophobicContact CZ-CD2 3.68Å; F99-M130 HydrophobicContact CE1-CE 4.48Å; F99-M130 HydrophobicContact CE1-SD 4.34Å; F99-Y131 AromaticContact CE1-CE2 4Å; F99-Y131 HydrophobicContact CE1-CE2 4Å; F99-Y131 AromaticContact CZ-CE2 3.67Å; F99-Y131 HydrophobicContact CZ-CE2 3.67Å
100	H	97.4	Very high	87.9	Confident	78 Å²	78	49.2 Å²	49.2	36%	0.361	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.7	160.5	-178.8	-151.3	0	0	0	108.9	T58 I60 R66	T58-H100 PolarHBondContact N-O 2.89Å; T58-H100 PolarHBondContact O-N 3.24Å; I60-H100 HydrophobicContact CD1-CB 4.39Å; I60-H100 HydrophobicContact CG2-CB 4.22Å; R66-H100 CarbonylContact O-C 3.47Å; R66-H100 WeakPolarHBondContact O-CA 3.22Å
101	V	98.1	Very high	86.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.5	-178.1	178.7	0	0	0	0	110.2	T55 R56 I57 R66 V67 S68 F86 F99 I123	T55-V101 HydrophobicContact CG2-CG1 3.49Å; T55-V101 VanDerWaalsContact CG2-CG1 3.49Å; R56-V101 CarbonylContact O-C 3.53Å; R56-V101 VanDerWaalsContact O-CA 3.3Å; R56-V101 WeakPolarHBondContact O-CA 3.39Å; I57-V101 HydrophobicContact CG1-CG2 4.38Å; I57-V101 HydrophobicContact CG2-CG2 4.23Å; R66-V101 PolarHBondContact O-N 3.09Å; V67-V101 CarbonylContact C-O 3.51Å; V67-V101 VanDerWaalsContact CA-O 3.31Å; V67-V101 WeakPolarHBondContact CA-O 3.38Å; V67-V101 HydrophobicContact CG1-CB 4.32Å; V67-V101 HydrophobicContact CG1-CG1 4.36Å; V67-V101 HydrophobicContact CG2-CB 4.1Å; S68-V101 PolarHBondContact N-O 3.19Å; F86-V101 HydrophobicContact CE1-CG2 4.3Å; F86-V101 HydrophobicContact CZ-CG2 3.87Å; F99-V101 HydrophobicContact CB-CG2 4.21Å; V101-I123 HydrophobicContact CG1-CD1 3.98Å; V101-I123 HydrophobicContact CG1-CG1 3.9Å
102	V	97.4	Very high	84.3	Confident	42 Å²	42	44.7 Å²	44.7	26%	0.255	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.4	171.9	-177.4	0	0	0	0	107.6	T55 R56 E104	T55-V102 CarbonylContact C-O 3.13Å; T55-V102 VanDerWaalsContact CA-O 3.3Å; T55-V102 WeakPolarHBondContact CA-O 3.36Å; R56-V102 PolarHBondContact N-O 3.31Å; R56-V102 PolarHBondContact O-N 3.01Å; V102-E104 HydrophobicContact CG1-CG 4.36Å
103	S	95.2	Very high	82.6	Confident	10 Å²	10	43.5 Å²	43.5	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.3	-179.3	-165.4	0	0	0	0	110.4	D54 T55 S68 V69 N70	D54-S103 CarbonylContact O-C 3.41Å; D54-S103 WeakPolarHBondContact O-CA 3.35Å; T55-S103 PolarHBondContact OG1-OG 3.42Å; S68-S103 PolarHBondContact O-N 2.74Å; V69-S103 CarbonylContact C-O 3.6Å; V69-S103 VanDerWaalsContact CA-O 3.32Å; V69-S103 WeakPolarHBondContact CA-O 3.12Å; N70-S103 PolarHBondContact N-O 2.97Å
104	E	93.6	Very high	81.4	Confident	113 Å²	113	43.7 Å²	43.7	53%	0.528	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.8	-176.6	-62.7	-175.1	125.5	0	0	110.6	V53 D54 N70 V102	V53-E104 CarbonylContact C-O 3.54Å; V53-E104 WeakPolarHBondContact CA-O 3.36Å; D54-E104 PolarHBondContact N-O 3.39Å; D54-E104 PolarHBondContact O-N 3.45Å; N70-E104 WeakPolarHBondContact OD1-CA 3.15Å; V102-E104 HydrophobicContact CG1-CG 4.36Å
105	S	87.4	Confident	80.7	Confident	24 Å²	24	41.4 Å²	41.4	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.9	176.7	63.9	0	0	0	0	110.3	N70 F107	N70-S105 PolarHBondContact ND2-OG 3.1Å; N70-S105 VanDerWaalsContact ND2-OG 3.1Å; N70-S105 PolarHBondContact OD1-N 2.79Å; N70-S105 PolarHBondContact OD1-OG 3Å; S105-F107 PolarHBondContact O-N 3.31Å; S105-F107 PolarHBondContact OG-O 3Å
106	L	74.8	Confident	80.4	Confident	140 Å²	140	42.3 Å²	42.3	73%	0.733	26%	0.255	S	S	*	.	S	Bend	trans	-68	-12.9	175.5	-67.1	174.8	0	0	0	113.2	F52	F52-L106 HydrophobicContact CZ-CD1 4.35Å
107	F	69.5	Low	80.4	Confident	22 Å²	22	37.4 Å²	37.4	10%	0.096	22%	0.221	C	C	.	.	S	Bend	trans	-115.2	140.4	-178	-51.5	-93.9	0	0	0	109.4	L51 S105 A109 L113 I195 L361 V363	L51-F107 HydrophobicContact CD2-CD1 4.07Å; L51-F107 HydrophobicContact CD2-CD2 3.71Å; L51-F107 HydrophobicContact CD2-CE1 3.5Å; L51-F107 HydrophobicContact CD2-CE2 3.17Å; L51-F107 HydrophobicContact CD2-CG 4.16Å; L51-F107 HydrophobicContact CD2-CZ 3.06Å; S105-F107 PolarHBondContact O-N 3.31Å; S105-F107 PolarHBondContact OG-O 3Å; F107-A109 PolarHBondContact O-N 3.25Å; F107-L113 HydrophobicContact CB-CD1 4.25Å; F107-L113 HydrophobicContact CD1-CD1 3.97Å; F107-L113 HydrophobicContact CG-CD1 4.21Å; F107-I195 HydrophobicContact CD1-CD1 3.79Å; F107-I195 HydrophobicContact CE1-CD1 3.82Å; F107-L361 HydrophobicContact CD1-CD2 3.97Å; F107-L361 HydrophobicContact CE1-CD2 3.42Å; F107-L361 VanDerWaalsContact CE1-CD2 3.42Å; F107-L361 HydrophobicContact CE1-CG 4.47Å; F107-L361 HydrophobicContact CZ-CD2 4.42Å; F107-V363 HydrophobicContact CE1-CG2 3.93Å; F107-V363 HydrophobicContact CZ-CG2 3.96Å
108	P	60.9	Low	80.3	Confident	42 Å²	42	34.8 Å²	34.8	27%	0.273	21%	0.209	S	C	.	.			trans	-58.6	140	175.9	-25.7	35.9	0	0	0	111.7	S110 A111 E198	P108-S110 WeakPolarHBondContact CB-OG 3.39Å; P108-S110 PolarHBondContact O-N 3.29Å; P108-S110 VanDerWaalsContact O-N 3.09Å; P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; P108-E198 HydrophobicContact CG-CB 4.08Å; P108-E198 HydrophobicContact CG-CG 4.18Å; P108-E198 WeakPolarHBondContact CG-OE2 3.31Å
109	A	58.6	Low	80.2	Confident	53 Å²	53	33.5 Å²	33.5	44%	0.438	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-58.4	-26.6	176.2	0	0	0	0	0	112.5	F107 A111 S115	F107-A109 PolarHBondContact O-N 3.25Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A109-S115 WeakPolarHBondContact CA-OG 3.28Å; A109-S115 PolarHBondContact O-OG 3.17Å
110	S	54.7	Low	80.2	Confident	48 Å²	48	33.7 Å²	33.7	34%	0.336	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-68.8	-23.8	177.1	51.7	0	0	0	0	114.4	P108 G112 E198	P108-S110 WeakPolarHBondContact CB-OG 3.39Å; P108-S110 PolarHBondContact O-N 3.29Å; P108-S110 VanDerWaalsContact O-N 3.09Å; S110-G112 PolarHBondContact O-N 2.71Å; S110-E198 WeakPolarHBondContact CB-O 3.25Å; S110-E198 PolarHBondContact OG-O 2.87Å
111	A	58.8	Low	80.2	Confident	5 Å²	5	30 Å²	30	4%	0.041	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65.6	-3.3	-175	0	0	0	0	0	114.2	P108 A109 L113 E198 N303	P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; A109-A111 VanDerWaalsContact C-N 3.34Å; A111-L113 HydrophobicContact CB-CD1 4.26Å; A111-L113 HydrophobicContact CB-CG 4.18Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-L113 VanDerWaalsContact O-N 3.1Å; A111-E198 HydrophobicContact CB-CB 4.42Å; A111-E198 HydrophobicContact CB-CG 4.35Å; A111-N303 PolarHBondContact O-ND2 3.2Å
112	G	58.5	Low	80.1	Confident	26 Å²	26	30 Å²	30	27%	0.268	19%	0.189	S	C	.	.			trans	71.4	6.8	173.3	0	0	0	0	0	115.2	S110 A114	S110-G112 PolarHBondContact O-N 2.71Å; G112-A114 PolarHBondContact O-N 3.2Å
113	L	61.9	Low	80.2	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	-76.9	33.7	-178.2	-59.8	175.9	0	0	0	114.2	V21 L51 F107 A111 S115 V193 I195 N303 F305	V21-L113 WeakPolarHBondContact CG1-O 3.31Å; L51-L113 HydrophobicContact CD1-CB 4.45Å; L51-L113 HydrophobicContact CD1-CD1 4.35Å; F107-L113 HydrophobicContact CB-CD1 4.25Å; F107-L113 HydrophobicContact CD1-CD1 3.97Å; F107-L113 HydrophobicContact CG-CD1 4.21Å; A111-L113 HydrophobicContact CB-CD1 4.26Å; A111-L113 HydrophobicContact CB-CG 4.18Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-L113 VanDerWaalsContact O-N 3.1Å; L113-S115 PolarHBondContact O-N 3.09Å; L113-S115 VanDerWaalsContact O-N 3.11Å; L113-V193 HydrophobicContact CD2-CG1 3.63Å; L113-I195 HydrophobicContact CD1-CD1 3.46Å; L113-I195 VanDerWaalsContact CD1-CD1 3.46Å; L113-I195 HydrophobicContact CD1-CG1 3.81Å; L113-I195 HydrophobicContact CD2-CG1 4.18Å; L113-N303 HydrophobicContact CD2-CB 3.88Å; L113-F305 HydrophobicContact CD2-CZ 4.14Å
114	A	70.9	Confident	80.3	Confident	21 Å²	21	27.6 Å²	27.6	17%	0.174	17%	0.174	C	C	.	.	S	Bend	trans	55.1	26.6	-176.1	0	0	0	0	0	115.4	V21 G112 S116 A117 A118	V21-A114 HydrophobicContact CB-CB 4.49Å; G112-A114 PolarHBondContact O-N 3.2Å; A114-S116 PolarHBondContact O-N 2.83Å; A114-S116 VanDerWaalsContact O-N 3.17Å; A114-A117 HydrophobicContact CB-CB 4.16Å; A114-A117 WeakPolarHBondContact O-CA 3.37Å; A114-A117 VanDerWaalsContact O-CB 3.25Å; A114-A117 WeakPolarHBondContact O-CB 3.15Å; A114-A117 PolarHBondContact O-N 3.02Å; A114-A118 PolarHBondContact O-N 3.42Å
115	S	79.5	Confident	80.5	Confident	22 Å²	22	24.5 Å²	24.5	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-50.9	-40.4	176.5	55.5	0	0	0	0	113.3	A109 L113 A117 A118 G119	A109-S115 WeakPolarHBondContact CA-OG 3.28Å; A109-S115 PolarHBondContact O-OG 3.17Å; L113-S115 PolarHBondContact O-N 3.09Å; L113-S115 VanDerWaalsContact O-N 3.11Å; S115-A117 VanDerWaalsContact C-N 3.3Å; S115-A117 PolarHBondContact O-N 2.48Å; S115-A118 PolarHBondContact O-N 2.86Å; S115-G119 PolarHBondContact O-N 3.41Å
116	S	88.7	Confident	81	Confident	41 Å²	41	23.3 Å²	23.3	29%	0.287	15%	0.15	S	C	.	.	H	α-helix	trans	-63.8	-33.3	175.6	-177.9	0	0	0	0	112.9	R81 A114 F120	R81-S116 PolarHBondContact NH1-OG 2.83Å; R81-S116 PolarHBondContact NH2-OG 3.04Å; A114-S116 PolarHBondContact O-N 2.83Å; A114-S116 VanDerWaalsContact O-N 3.17Å; S116-F120 VanDerWaalsContact O-CD2 3.3Å; S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.74Å; S116-F120 VanDerWaalsContact O-N 3.13Å
117	A	92.1	Very high	82.1	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-47.5	176.9	0	0	0	0	0	110.6	A114 S115 S121 S148 A149	A114-A117 HydrophobicContact CB-CB 4.16Å; A114-A117 WeakPolarHBondContact O-CA 3.37Å; A114-A117 VanDerWaalsContact O-CB 3.25Å; A114-A117 WeakPolarHBondContact O-CB 3.15Å; A114-A117 PolarHBondContact O-N 3.02Å; S115-A117 VanDerWaalsContact C-N 3.3Å; S115-A117 PolarHBondContact O-N 2.48Å; A117-S121 VanDerWaalsContact O-CB 3.25Å; A117-S121 WeakPolarHBondContact O-CB 3.46Å; A117-S121 PolarHBondContact O-N 2.97Å; A117-S148 WeakPolarHBondContact CB-OG 3.34Å; A117-A149 HydrophobicContact CB-CB 4.44Å; A117-A149 WeakPolarHBondContact O-CA 3.25Å; A117-A149 WeakPolarHBondContact O-CB 3.39Å
118	A	94.1	Very high	83.4	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.7	0	0	0	0	0	111.8	A19 P20 V21 V53 A114 S115 F120 S121 A122	A19-A118 WeakPolarHBondContact CB-O 3.34Å; P20-A118 WeakPolarHBondContact O-CB 3.25Å; V21-A118 HydrophobicContact CG1-CB 3.85Å; V53-A118 HydrophobicContact CB-CB 4.36Å; V53-A118 HydrophobicContact CG1-CB 3.74Å; V53-A118 VanDerWaalsContact CG2-C 3.44Å; V53-A118 HydrophobicContact CG2-CB 3.71Å; A114-A118 PolarHBondContact O-N 3.42Å; S115-A118 PolarHBondContact O-N 2.86Å; A118-F120 PolarHBondContact O-N 2.75Å; A118-S121 WeakPolarHBondContact O-CB 3.43Å; A118-S121 PolarHBondContact O-N 3.35Å; A118-A122 PolarHBondContact O-N 2.93Å
119	G	94.9	Very high	85.1	Confident	9 Å²	9	16.4 Å²	16.4	9%	0.093	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-48.5	179.6	0	0	0	0	0	113.2	S115 S121 A122 I123	S115-G119 PolarHBondContact O-N 3.41Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 2.78Å; G119-A122 PolarHBondContact O-N 2.75Å; G119-I123 WeakPolarHBondContact O-CG1 3.25Å; G119-I123 PolarHBondContact O-N 2.89Å
120	F	96.6	Very high	86.9	Confident	5 Å²	5	14.3 Å²	14.3	2%	0.022	10%	0.096	C	C	.	.	H	α-helix	trans	-70.3	-29.3	176.5	-80.2	-69.5	0	0	0	113	R81 F82 V85 S116 A118 I123 A124 A149	R81-F120 HydrophobicContact CB-CE1 4.23Å; R81-F120 HydrophobicContact CB-CE2 4.2Å; R81-F120 HydrophobicContact CB-CZ 3.51Å; R81-F120 VanDerWaalsContact CZ-CE2 3.44Å; R81-F120 VanDerWaalsContact NH2-CE2 3.31Å; F82-F120 HydrophobicContact CD1-CD1 4.42Å; F82-F120 AromaticContact CD1-CE1 3.45Å; F82-F120 HydrophobicContact CD1-CE1 3.45Å; F82-F120 VanDerWaalsContact CD1-CE1 3.45Å; F82-F120 AromaticContact CD1-CZ 3.65Å; F82-F120 HydrophobicContact CD1-CZ 3.65Å; F82-F120 HydrophobicContact CD2-CZ 4.18Å; F82-F120 HydrophobicContact CE1-CD1 4.44Å; F82-F120 AromaticContact CE1-CE1 3.63Å; F82-F120 HydrophobicContact CE1-CE1 3.63Å; F82-F120 HydrophobicContact CE1-CE2 4.23Å; F82-F120 AromaticContact CE1-CZ 3.48Å; F82-F120 HydrophobicContact CE1-CZ 3.48Å; F82-F120 VanDerWaalsContact CE1-CZ 3.48Å; F82-F120 HydrophobicContact CE2-CZ 4.03Å; F82-F120 HydrophobicContact CG-CE1 4.01Å; F82-F120 HydrophobicContact CG-CZ 4.01Å; F82-F120 HydrophobicContact CZ-CE1 4.31Å; F82-F120 HydrophobicContact CZ-CE2 4.25Å; F82-F120 AromaticContact CZ-CZ 3.69Å; F82-F120 HydrophobicContact CZ-CZ 3.69Å; V85-F120 HydrophobicContact CG2-CD1 4.01Å; V85-F120 HydrophobicContact CG2-CE1 4.11Å; S116-F120 VanDerWaalsContact O-CD2 3.3Å; S116-F120 WeakPolarHBondContact O-CD2 3.49Å; S116-F120 PolarHBondContact O-N 2.74Å; S116-F120 VanDerWaalsContact O-N 3.13Å; A118-F120 PolarHBondContact O-N 2.75Å; F120-I123 HydrophobicContact CD1-CD1 4.48Å; F120-A124 VanDerWaalsContact O-CB 3.24Å; F120-A124 WeakPolarHBondContact O-CB 3.22Å; F120-A124 PolarHBondContact O-N 2.83Å; F120-A149 HydrophobicContact CB-CB 3.75Å
121	S	97.4	Very high	88.8	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-43.2	171.7	179.6	0	0	0	0	111.3	A117 A118 G119 A124 Y125 S152 I153 P371	A117-S121 VanDerWaalsContact O-CB 3.25Å; A117-S121 WeakPolarHBondContact O-CB 3.46Å; A117-S121 PolarHBondContact O-N 2.97Å; A118-S121 WeakPolarHBondContact O-CB 3.43Å; A118-S121 PolarHBondContact O-N 3.35Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 2.78Å; S121-A124 PolarHBondContact O-N 3.19Å; S121-Y125 WeakPolarHBondContact O-CB 3.28Å; S121-Y125 PolarHBondContact O-N 3.46Å; S121-S152 VanDerWaalsContact OG-C 3.31Å; S121-S152 WeakPolarHBondContact OG-CB 3.44Å; S121-S152 PolarHBondContact OG-O 2.84Å; S121-I153 WeakPolarHBondContact OG-CD1 3.37Å; S121-P371 WeakPolarHBondContact OG-CG 3.36Å
122	A	97.5	Very high	90.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-47.1	176.2	0	0	0	0	0	111.8	I17 A19 V53 T55 A118 G119 G126	I17-A122 HydrophobicContact CB-CB 4.22Å; I17-A122 HydrophobicContact CG2-CB 3.99Å; A19-A122 HydrophobicContact CB-CB 3.55Å; V53-A122 HydrophobicContact CG2-CB 4.14Å; T55-A122 HydrophobicContact CG2-CB 4.33Å; T55-A122 WeakPolarHBondContact OG1-CB 3.47Å; A118-A122 PolarHBondContact O-N 2.93Å; G119-A122 PolarHBondContact O-N 2.75Å; A122-G126 PolarHBondContact O-N 3.1Å
123	I	98.3	Very high	92.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-59.3	-54.3	177	-67.3	169.6	0	0	0	110.3	T55 I57 F82 V85 F86 V101 G119 F120 Y125 G126 L127	T55-I123 HydrophobicContact CG2-CG1 4.03Å; I57-I123 WeakPolarHBondContact CD1-O 3.32Å; F82-I123 HydrophobicContact CD1-CD1 3.8Å; F82-I123 HydrophobicContact CE1-CD1 3.69Å; V85-I123 HydrophobicContact CG1-CG2 4.24Å; F86-I123 HydrophobicContact CE1-CG2 4.03Å; F86-I123 HydrophobicContact CZ-CG2 4.47Å; V101-I123 HydrophobicContact CG1-CD1 3.98Å; V101-I123 HydrophobicContact CG1-CG1 3.9Å; G119-I123 WeakPolarHBondContact O-CG1 3.25Å; G119-I123 PolarHBondContact O-N 2.89Å; F120-I123 HydrophobicContact CD1-CD1 4.48Å; I123-Y125 PolarHBondContact O-N 2.68Å; I123-G126 PolarHBondContact O-N 3.03Å; I123-L127 HydrophobicContact CG2-CD1 3.67Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 WeakPolarHBondContact O-CB 3.5Å; I123-L127 WeakPolarHBondContact O-CG 3.27Å; I123-L127 PolarHBondContact O-N 2.92Å
124	A	98.3	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-43.9	-176.6	0	0	0	0	0	112.6	F120 S121 S128 A138 L141 A142 I153	F120-A124 VanDerWaalsContact O-CB 3.24Å; F120-A124 WeakPolarHBondContact O-CB 3.22Å; F120-A124 PolarHBondContact O-N 2.83Å; S121-A124 PolarHBondContact O-N 3.19Å; A124-S128 WeakPolarHBondContact O-CB 3.39Å; A124-S128 PolarHBondContact O-N 2.94Å; A124-S128 PolarHBondContact O-OG 2.85Å; A124-A138 WeakPolarHBondContact CB-O 3.33Å; A124-L141 HydrophobicContact CB-CB 3.74Å; A124-A142 HydrophobicContact CB-CB 3.69Å; A124-A142 VanDerWaalsContact CB-N 3.32Å; A124-I153 HydrophobicContact CB-CD1 4.34Å
125	Y	97.9	Very high	94.9	Very high	47 Å²	47	27.4 Å²	27.4	18%	0.184	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.5	-174.9	-87.7	0	0	0	111.4	I17 S121 I123 S128 V129 P371	I17-Y125 HydrophobicContact CD1-CD1 3.83Å; I17-Y125 HydrophobicContact CD1-CE1 4.17Å; I17-Y125 HydrophobicContact CG1-CD1 4.29Å; I17-Y125 HydrophobicContact CG2-CD1 4Å; S121-Y125 WeakPolarHBondContact O-CB 3.28Å; S121-Y125 PolarHBondContact O-N 3.46Å; I123-Y125 PolarHBondContact O-N 2.68Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 3.48Å; Y125-V129 HydrophobicContact CD1-CG2 3.99Å; Y125-V129 HydrophobicContact CE1-CG2 3.67Å; Y125-V129 WeakPolarHBondContact O-CG2 3.17Å; Y125-V129 PolarHBondContact O-N 2.99Å; Y125-P371 HydrophobicContact CD1-CB 4.01Å; Y125-P371 HydrophobicContact CD2-CB 3.98Å; Y125-P371 HydrophobicContact CD2-CG 4.13Å; Y125-P371 HydrophobicContact CE1-CB 4.47Å; Y125-P371 HydrophobicContact CE2-CB 4.43Å; Y125-P371 HydrophobicContact CG-CB 3.74Å; Y125-P371 HydrophobicContact CG-CG 4.2Å; Y125-P371 VanDerWaalsContact CZ-O 3.25Å; Y125-P371 PolarHBondContact OH-O 2.57Å
126	G	97.7	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-43.2	179.3	0	0	0	0	0	113	A122 I123 S128 V129 M130	A122-G126 PolarHBondContact O-N 3.1Å; I123-G126 PolarHBondContact O-N 3.03Å; G126-S128 VanDerWaalsContact C-N 3.31Å; G126-S128 PolarHBondContact O-N 3.09Å; G126-V129 PolarHBondContact O-N 3.1Å; G126-V129 VanDerWaalsContact O-N 3.17Å; G126-M130 WeakPolarHBondContact O-CG 3.29Å; G126-M130 PolarHBondContact O-N 3.03Å
127	L	97.8	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-41	173.1	-67.3	171.3	0	0	0	111.5	I57 V85 F86 L89 F99 I123 V129 M130 Y131	I57-L127 HydrophobicContact CD1-CG 4.42Å; I57-L127 HydrophobicContact CG2-CD2 4.05Å; V85-L127 HydrophobicContact CG1-CD1 4.02Å; F86-L127 HydrophobicContact CD1-CD1 4.01Å; F86-L127 HydrophobicContact CE1-CD1 4.05Å; L89-L127 HydrophobicContact CD1-CB 4.2Å; L89-L127 HydrophobicContact CD2-CB 4.21Å; L89-L127 HydrophobicContact CD2-CD1 4.06Å; L89-L127 HydrophobicContact CD2-CD2 3.73Å; L89-L127 HydrophobicContact CD2-CG 4.2Å; F99-L127 HydrophobicContact CD1-CD2 3.69Å; F99-L127 HydrophobicContact CD2-CD2 4.19Å; F99-L127 HydrophobicContact CE1-CD2 3.49Å; F99-L127 VanDerWaalsContact CE1-CD2 3.49Å; F99-L127 HydrophobicContact CE2-CD2 4.03Å; F99-L127 HydrophobicContact CG-CD2 4.04Å; F99-L127 HydrophobicContact CZ-CD2 3.68Å; I123-L127 HydrophobicContact CG2-CD1 3.67Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 WeakPolarHBondContact O-CB 3.5Å; I123-L127 WeakPolarHBondContact O-CG 3.27Å; I123-L127 PolarHBondContact O-N 2.92Å; L127-V129 VanDerWaalsContact C-N 3.32Å; L127-V129 PolarHBondContact O-N 3.27Å; L127-M130 HydrophobicContact CD2-SD 4.39Å; L127-M130 PolarHBondContact O-N 3.33Å; L127-Y131 WeakPolarHBondContact O-CD2 3.49Å; L127-Y131 PolarHBondContact O-N 3.28Å
128	S	96.7	Very high	96.2	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-35.9	174.9	-71.9	0	0	0	0	112.9	A124 Y125 G126 E132 L133 A138	A124-S128 WeakPolarHBondContact O-CB 3.39Å; A124-S128 PolarHBondContact O-N 2.94Å; A124-S128 PolarHBondContact O-OG 2.85Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 3.48Å; G126-S128 VanDerWaalsContact C-N 3.31Å; G126-S128 PolarHBondContact O-N 3.09Å; S128-E132 CarbonylContact O-C 3.56Å; S128-E132 WeakPolarHBondContact O-CA 3.47Å; S128-E132 PolarHBondContact O-N 2.7Å; S128-L133 PolarHBondContact O-N 3.3Å; S128-A138 VanDerWaalsContact OG-CA 3.3Å; S128-A138 WeakPolarHBondContact OG-CA 3.46Å; S128-A138 WeakPolarHBondContact OG-CB 3.42Å; S128-A138 PolarHBondContact OG-N 3.16Å
129	V	95.9	Very high	96.3	Very high	52 Å²	52	31 Å²	31	32%	0.315	16%	0.159	S	C	.	.	H	α-helix	trans	-67.4	-44.6	172.8	172.7	0	0	0	0	111.3	L15 Y125 G126 L127 Y131 E132	L15-V129 HydrophobicContact CD2-CB 3.98Å; L15-V129 HydrophobicContact CD2-CG1 3.74Å; Y125-V129 HydrophobicContact CD1-CG2 3.99Å; Y125-V129 HydrophobicContact CE1-CG2 3.67Å; Y125-V129 WeakPolarHBondContact O-CG2 3.17Å; Y125-V129 PolarHBondContact O-N 2.99Å; G126-V129 PolarHBondContact O-N 3.1Å; G126-V129 VanDerWaalsContact O-N 3.17Å; L127-V129 VanDerWaalsContact C-N 3.32Å; L127-V129 PolarHBondContact O-N 3.27Å; V129-Y131 VanDerWaalsContact C-N 3.27Å; V129-Y131 PolarHBondContact O-N 3.46Å; V129-E132 PolarHBondContact O-N 3.38Å
130	M	95.7	Very high	96.4	Very high	9 Å²	9	33 Å²	33	4%	0.044	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-33.9	-179.9	-68.2	172.6	97.4	0	0	112.9	L11 K12 L15 I57 A59 F99 G126 L127	L11-M130 HydrophobicContact CD1-CB 4.46Å; L11-M130 VanDerWaalsContact CD1-O 3.3Å; L11-M130 WeakPolarHBondContact CD1-O 3.33Å; L11-M130 HydrophobicContact CD2-CE 4.27Å; K12-M130 WeakPolarHBondContact O-CE 3.33Å; L15-M130 HydrophobicContact CD2-CG 3.53Å; L15-M130 HydrophobicContact CD2-SD 4.49Å; L15-M130 HydrophobicContact CG-CG 4Å; L15-M130 HydrophobicContact CG-SD 4.37Å; I57-M130 HydrophobicContact CB-SD 4.29Å; I57-M130 HydrophobicContact CG2-SD 3.76Å; A59-M130 HydrophobicContact CB-CE 3.79Å; F99-M130 HydrophobicContact CE1-CE 4.48Å; F99-M130 HydrophobicContact CE1-SD 4.34Å; G126-M130 WeakPolarHBondContact O-CG 3.29Å; G126-M130 PolarHBondContact O-N 3.03Å; L127-M130 HydrophobicContact CD2-SD 4.39Å; L127-M130 PolarHBondContact O-N 3.33Å
131	Y	95.7	Very high	96.4	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.071	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	10.4	-175.7	-73.4	-86.6	0	0	0	114	L11 L89 T93 S95 F99 L127 V129 L133	L11-Y131 HydrophobicContact CD1-CD1 3.97Å; L11-Y131 HydrophobicContact CD1-CD2 4.3Å; L11-Y131 HydrophobicContact CD1-CE1 3.64Å; L11-Y131 HydrophobicContact CD1-CE2 3.99Å; L11-Y131 HydrophobicContact CD1-CG 4.28Å; L89-Y131 HydrophobicContact CD1-CD2 4.1Å; L89-Y131 HydrophobicContact CD1-CG 4.45Å; L89-Y131 HydrophobicContact CD2-CD2 4.07Å; L89-Y131 HydrophobicContact CD2-CE2 3.79Å; L89-Y131 HydrophobicContact CG-CD2 4.48Å; T93-Y131 HydrophobicContact CG2-CD1 3.81Å; T93-Y131 HydrophobicContact CG2-CE1 4.49Å; T93-Y131 HydrophobicContact CG2-CG 4.04Å; S95-Y131 WeakPolarHBondContact CB-OH 3.39Å; S95-Y131 PolarHBondContact OG-OH 2.68Å; F99-Y131 AromaticContact CE1-CE2 4Å; F99-Y131 HydrophobicContact CE1-CE2 4Å; F99-Y131 AromaticContact CZ-CE2 3.67Å; F99-Y131 HydrophobicContact CZ-CE2 3.67Å; L127-Y131 WeakPolarHBondContact O-CD2 3.49Å; L127-Y131 PolarHBondContact O-N 3.28Å; V129-Y131 VanDerWaalsContact C-N 3.27Å; V129-Y131 PolarHBondContact O-N 3.46Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.25Å
132	E	95	Very high	96.5	Very high	156 Å²	156	32.7 Å²	32.7	73%	0.729	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.8	-178.3	-57.5	-174.9	176.8	0	0	113.5	S128 V129	S128-E132 CarbonylContact O-C 3.56Å; S128-E132 WeakPolarHBondContact O-CA 3.47Å; S128-E132 PolarHBondContact O-N 2.7Å; V129-E132 PolarHBondContact O-N 3.38Å
133	L	95.7	Very high	96.4	Very high	23 Å²	23	33.7 Å²	33.7	12%	0.12	17%	0.168	C	C	.	.			trans	-88.5	147.2	-177.9	-54.1	175.8	0	0	0	111.8	L89 T93 S128 Y131 V137 L141	L89-L133 HydrophobicContact CD1-CD1 3.51Å; T93-L133 HydrophobicContact CG2-CD1 4.29Å; T93-L133 HydrophobicContact CG2-CD2 4.06Å; S128-L133 PolarHBondContact O-N 3.3Å; Y131-L133 VanDerWaalsContact C-N 3.27Å; Y131-L133 PolarHBondContact O-N 3.25Å; L133-V137 HydrophobicContact CB-CB 4.22Å; L133-V137 HydrophobicContact CB-CG1 4.22Å; L133-V137 HydrophobicContact CD1-CG1 3.94Å; L133-L141 HydrophobicContact CD1-CD1 4.42Å
134	D	94.8	Very high	96.3	Very high	120 Å²	120	33.9 Å²	33.9	64%	0.642	17%	0.169	S	C	*	.			trans	-59.8	151.6	174.1	-67.4	-38.3	0	0	0	112.3	D136 V137 A138	D134-D136 PolarHBondContact O-N 3.02Å; D134-V137 HydrophobicContact CB-CG2 4.43Å; D134-V137 WeakPolarHBondContact O-CA 3.22Å; D134-V137 WeakPolarHBondContact O-CB 3.49Å; D134-V137 PolarHBondContact O-N 3.08Å; D134-A138 PolarHBondContact O-N 2.87Å; D134-A138 VanDerWaalsContact O-N 3.11Å
135	K	93.6	Very high	96.1	Very high	64 Å²	64	33.9 Å²	33.9	28%	0.278	17%	0.169	S	C	.	.	H	α-helix	trans	-60.9	-30.6	-179.1	-164.5	170.4	-173.7	172.9	0	113.3	V137 A138 C139 I153 Y154 E370	K135-V137 VanDerWaalsContact C-N 3.29Å; K135-V137 PolarHBondContact O-N 3.44Å; K135-A138 WeakPolarHBondContact O-CB 3.26Å; K135-A138 PolarHBondContact O-N 3.46Å; K135-C139 WeakPolarHBondContact O-CB 3.11Å; K135-C139 PolarHBondContact O-N 3Å; K135-I153 HydrophobicContact CD-CG2 4.34Å; K135-I153 WeakPolarHBondContact CE-O 3.4Å; K135-I153 HydrophobicContact CG-CG2 3.63Å; K135-I153 PolarHBondContact NZ-O 2.98Å; K135-Y154 HydrophobicContact CD-CD1 3.92Å; K135-Y154 HydrophobicContact CD-CE1 3.62Å; K135-Y154 VanDerWaalsContact CE-CD1 3.43Å; K135-Y154 HydrophobicContact CG-CE1 3.9Å; K135-E370 IonicContact NZ-OE1 2.92Å; K135-E370 IonicContact NZ-OE2 3.09Å; K135-E370 PolarHBondContact NZ-OE2 2.62Å
136	D	93.2	Very high	95.9	Very high	109 Å²	109	32.4 Å²	32.4	58%	0.583	17%	0.165	S	C	*	.	H	α-helix	trans	-67.1	-33.2	175.7	-69.4	-11.3	0	0	0	111.7	D134 C139 E140 Y154	D134-D136 PolarHBondContact O-N 3.02Å; D136-C139 WeakPolarHBondContact O-CB 3.2Å; D136-C139 PolarHBondContact O-N 2.9Å; D136-E140 PolarHBondContact O-N 3.01Å; D136-Y154 PolarHBondContact OD1-OH 3.5Å
137	V	95.8	Very high	95.8	Very high	24 Å²	24	32.5 Å²	32.5	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-69.3	-41.7	171.6	-179.7	0	0	0	0	110.3	I92 L133 D134 K135 C139 E140 L141	I92-V137 HydrophobicContact CD1-CG1 3.74Å; L133-V137 HydrophobicContact CB-CB 4.22Å; L133-V137 HydrophobicContact CB-CG1 4.22Å; L133-V137 HydrophobicContact CD1-CG1 3.94Å; D134-V137 HydrophobicContact CB-CG2 4.43Å; D134-V137 WeakPolarHBondContact O-CA 3.22Å; D134-V137 WeakPolarHBondContact O-CB 3.49Å; D134-V137 PolarHBondContact O-N 3.08Å; K135-V137 VanDerWaalsContact C-N 3.29Å; K135-V137 PolarHBondContact O-N 3.44Å; V137-C139 VanDerWaalsContact C-N 3.28Å; V137-C139 PolarHBondContact O-N 3.13Å; V137-E140 PolarHBondContact O-N 2.9Å; V137-L141 HydrophobicContact CG1-CD1 4.24Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 3.1Å
138	A	97.1	Very high	95.6	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-43.3	172.9	0	0	0	0	0	111.4	A124 S128 D134 K135 L141 A142 I153	A124-A138 WeakPolarHBondContact CB-O 3.33Å; S128-A138 VanDerWaalsContact OG-CA 3.3Å; S128-A138 WeakPolarHBondContact OG-CA 3.46Å; S128-A138 WeakPolarHBondContact OG-CB 3.42Å; S128-A138 PolarHBondContact OG-N 3.16Å; D134-A138 PolarHBondContact O-N 2.87Å; D134-A138 VanDerWaalsContact O-N 3.11Å; K135-A138 WeakPolarHBondContact O-CB 3.26Å; K135-A138 PolarHBondContact O-N 3.46Å; A138-L141 PolarHBondContact O-N 3.46Å; A138-A142 VanDerWaalsContact O-CB 3.3Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.79Å; A138-I153 HydrophobicContact CB-CD1 4.24Å; A138-I153 HydrophobicContact CB-CG2 4.18Å
139	C	96.8	Very high	95.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175.6	179.3	0	0	0	0	112	K135 D136 V137 R143 C150 Y154	K135-C139 WeakPolarHBondContact O-CB 3.11Å; K135-C139 PolarHBondContact O-N 3Å; D136-C139 WeakPolarHBondContact O-CB 3.2Å; D136-C139 PolarHBondContact O-N 2.9Å; V137-C139 VanDerWaalsContact C-N 3.28Å; V137-C139 PolarHBondContact O-N 3.13Å; C139-R143 WeakPolarHBondContact O-CB 3.41Å; C139-R143 PolarHBondContact O-N 3.41Å; C139-C150 WeakPolarHBondContact O-CB 3.3Å; C139-Y154 HydrophobicContact CB-CE2 3.85Å
140	E	96.3	Very high	95.6	Very high	49 Å²	49	31 Å²	31	23%	0.229	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-48.4	174.8	176.1	173.2	-164.7	0	0	112.3	K88 D136 V137 A142 R143 L144	K88-E140 VanDerWaalsContact CE-CD 3.45Å; K88-E140 WeakPolarHBondContact CE-OE1 3.46Å; K88-E140 IonicContact NZ-OE1 3.62Å; K88-E140 PolarHBondContact NZ-OE1 2.77Å; K88-E140 IonicContact NZ-OE2 2.71Å; D136-E140 PolarHBondContact O-N 3.01Å; V137-E140 PolarHBondContact O-N 2.9Å; E140-A142 PolarHBondContact O-N 3.43Å; E140-R143 WeakPolarHBondContact O-CB 3.22Å; E140-R143 PolarHBondContact O-N 3.34Å; E140-L144 HydrophobicContact CG-CD1 4.38Å; E140-L144 WeakPolarHBondContact O-CG 3.37Å; E140-L144 PolarHBondContact O-N 2.95Å; E140-L144 VanDerWaalsContact O-N 3.1Å
141	L	98	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-46.4	178.2	-71	177.2	0	0	0	111.3	V85 K88 L89 A124 L133 V137 A138 R143 L144 G145	V85-L141 HydrophobicContact CG1-CB 4.14Å; V85-L141 HydrophobicContact CG1-CD2 4.29Å; V85-L141 WeakPolarHBondContact CG2-O 3.29Å; K88-L141 HydrophobicContact CB-CD2 3.84Å; K88-L141 HydrophobicContact CG-CD2 3.68Å; L89-L141 HydrophobicContact CB-CD2 4.36Å; L89-L141 HydrophobicContact CD1-CD1 4.02Å; A124-L141 HydrophobicContact CB-CB 3.74Å; L133-L141 HydrophobicContact CD1-CD1 4.42Å; V137-L141 HydrophobicContact CG1-CD1 4.24Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CG 3.44Å; V137-L141 PolarHBondContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 3.46Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.27Å; L141-L144 PolarHBondContact O-N 3.12Å; L141-G145 PolarHBondContact O-N 2.91Å
142	A	97.7	Very high	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-46.8	177.2	0	0	0	0	0	111.1	A124 A138 E140 L144 G145 S146 A149 I153	A124-A142 HydrophobicContact CB-CB 3.69Å; A124-A142 VanDerWaalsContact CB-N 3.32Å; A138-A142 VanDerWaalsContact O-CB 3.3Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.79Å; E140-A142 PolarHBondContact O-N 3.43Å; A142-L144 PolarHBondContact O-N 2.99Å; A142-G145 PolarHBondContact O-N 2.94Å; A142-S146 PolarHBondContact O-N 3.38Å; A142-A149 HydrophobicContact CB-CB 3.9Å; A142-I153 HydrophobicContact CB-CD1 4.06Å; A142-I153 HydrophobicContact CB-CG1 3.82Å
143	R	96.7	Very high	95.8	Very high	20 Å²	20	22.5 Å²	22.5	8%	0.075	12%	0.119	C	C	.	.	H	α-helix	trans	-57.1	-45.1	179.4	-172.5	170.6	53.3	82.5	4.3	112.7	Q36 M37 C139 E140 L141 G145 S146 G147 C150 W160 N175	Q36-R143 PolarHBondContact O-NH1 3.02Å; M37-R143 HydrophobicContact CB-CG 4.07Å; M37-R143 VanDerWaalsContact CB-O 3.27Å; M37-R143 WeakPolarHBondContact CB-O 3.5Å; M37-R143 WeakPolarHBondContact CG-O 3.23Å; M37-R143 WeakPolarHBondContact O-CG 3.43Å; C139-R143 WeakPolarHBondContact O-CB 3.41Å; C139-R143 PolarHBondContact O-N 3.41Å; E140-R143 WeakPolarHBondContact O-CB 3.22Å; E140-R143 PolarHBondContact O-N 3.34Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.27Å; R143-G145 VanDerWaalsContact C-N 3.27Å; R143-G145 PolarHBondContact O-N 3Å; R143-S146 WeakPolarHBondContact CA-O 3.39Å; R143-S146 CarbonylContact O-C 3.55Å; R143-S146 PolarHBondContact O-N 3.05Å; R143-G147 PolarHBondContact O-N 2.84Å; R143-C150 HydrophobicContact CB-CB 3.84Å; R143-C150 HydrophobicContact CG-CB 4.47Å; R143-W160 VanDerWaalsContact CD-CZ2 3.49Å; R143-W160 HydrophobicContact CG-CH2 4.29Å; R143-W160 HydrophobicContact CG-CZ2 3.78Å; R143-N175 PolarHBondContact NE-ND2 3.26Å; R143-N175 PolarHBondContact NH1-ND2 3.37Å
144	L	96.1	Very high	95.9	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-33.9	-179.8	-71.1	172.5	0	0	0	112.7	R84 K88 E140 L141 A142	R84-L144 PolarHBondContact NE-O 2.77Å; R84-L144 VanDerWaalsContact NE-O 3.09Å; R84-L144 PolarHBondContact NH2-O 2.92Å; K88-L144 HydrophobicContact CB-CD1 3.77Å; K88-L144 HydrophobicContact CD-CD1 4.21Å; K88-L144 HydrophobicContact CG-CD1 3.62Å; E140-L144 HydrophobicContact CG-CD1 4.38Å; E140-L144 WeakPolarHBondContact O-CG 3.37Å; E140-L144 PolarHBondContact O-N 2.95Å; E140-L144 VanDerWaalsContact O-N 3.1Å; L141-L144 PolarHBondContact O-N 3.12Å; A142-L144 PolarHBondContact O-N 2.99Å
145	G	94.7	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.1	-57.7	171.5	0	0	0	0	0	111.6	R81 L141 A142 R143	R81-G145 PolarHBondContact NE-O 2.86Å; R81-G145 PolarHBondContact NH2-O 2.96Å; L141-G145 PolarHBondContact O-N 2.91Å; A142-G145 PolarHBondContact O-N 2.94Å; R143-G145 VanDerWaalsContact C-N 3.27Å; R143-G145 PolarHBondContact O-N 3Å
146	S	93.3	Very high	96.2	Very high	15 Å²	15	13.9 Å²	13.9	11%	0.105	8%	0.075	C	C	.	.			trans	-143.6	125.2	175.7	-162.3	0	0	0	0	110.2	R81 A142 R143 S148 A149	R81-S146 VanDerWaalsContact NH2-CA 3.34Å; R81-S146 PolarHBondContact NH2-OG 3.46Å; R81-S146 VanDerWaalsContact NH2-OG 3.09Å; A142-S146 PolarHBondContact O-N 3.38Å; R143-S146 WeakPolarHBondContact CA-O 3.39Å; R143-S146 CarbonylContact O-C 3.55Å; R143-S146 PolarHBondContact O-N 3.05Å; S146-S148 VanDerWaalsContact C-N 3.27Å; S146-S148 PolarHBondContact O-N 3.48Å; S146-S148 VanDerWaalsContact O-N 3.14Å; S146-S148 PolarHBondContact OG-OG 2.89Å; S146-A149 VanDerWaalsContact O-CB 3.23Å; S146-A149 WeakPolarHBondContact O-CB 3.04Å; S146-A149 PolarHBondContact O-N 2.81Å
147	G	94.3	Very high	96.5	Very high	3 Å²	3	8.7 Å²	8.7	3%	0.031	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-49.9	-47	-179.9	0	0	0	0	0	113	R143 A149 C150 W160	R143-G147 PolarHBondContact O-N 2.84Å; G147-A149 VanDerWaalsContact C-N 3.29Å; G147-A149 PolarHBondContact O-N 2.83Å; G147-C150 PolarHBondContact O-SG 2.79Å; G147-W160 VanDerWaalsContact C-CZ3 3.45Å; G147-W160 WeakPolarHBondContact O-CH2 3.02Å; G147-W160 WeakPolarHBondContact O-CZ3 3.42Å
148	S	95.1	Very high	96.6	Very high	25 Å²	25	7.5 Å²	7.5	18%	0.175	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-68.3	-17.3	178	52.5	0	0	0	0	115.7	N22 A117 S146 C150 R151	N22-S148 PolarHBondContact ND2-O 3.04Å; A117-S148 WeakPolarHBondContact CB-OG 3.34Å; S146-S148 VanDerWaalsContact C-N 3.27Å; S146-S148 PolarHBondContact O-N 3.48Å; S146-S148 VanDerWaalsContact O-N 3.14Å; S146-S148 PolarHBondContact OG-OG 2.89Å; S148-C150 VanDerWaalsContact C-N 3.26Å; S148-C150 PolarHBondContact O-N 2.85Å; S148-R151 PolarHBondContact O-N 3.28Å
149	A	96.1	Very high	96.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-67.6	-28	-179.7	0	0	0	0	0	112.6	A117 F120 A142 S146 G147 R151 S152	A117-A149 HydrophobicContact CB-CB 4.44Å; A117-A149 WeakPolarHBondContact O-CA 3.25Å; A117-A149 WeakPolarHBondContact O-CB 3.39Å; F120-A149 HydrophobicContact CB-CB 3.75Å; A142-A149 HydrophobicContact CB-CB 3.9Å; S146-A149 VanDerWaalsContact O-CB 3.23Å; S146-A149 WeakPolarHBondContact O-CB 3.04Å; S146-A149 PolarHBondContact O-N 2.81Å; G147-A149 VanDerWaalsContact C-N 3.29Å; G147-A149 PolarHBondContact O-N 2.83Å; A149-R151 PolarHBondContact O-N 2.85Å; A149-S152 WeakPolarHBondContact O-CB 3.25Å; A149-S152 PolarHBondContact O-N 2.76Å
150	C	96.8	Very high	96.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-60.5	-32	-178.6	72.2	0	0	0	0	112.6	C139 R143 G147 S148 I153 W160 C177	C139-C150 WeakPolarHBondContact O-CB 3.3Å; R143-C150 HydrophobicContact CB-CB 3.84Å; R143-C150 HydrophobicContact CG-CB 4.47Å; G147-C150 PolarHBondContact O-SG 2.79Å; S148-C150 VanDerWaalsContact C-N 3.26Å; S148-C150 PolarHBondContact O-N 2.85Å; C150-I153 WeakPolarHBondContact O-CB 3.29Å; C150-I153 PolarHBondContact O-N 2.93Å; C150-W160 VanDerWaalsContact SG-CD2 3.52Å; C150-C177 PolarHBondContact SG-SG 3.46Å
151	R	97	Very high	96.7	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.019	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-73.2	-28.9	176.7	-58.6	-172.1	-53.5	-100.1	-6.9	113	N22 S43 S45 S148 A149 I153 Y154 V158 W160	N22-R151 PolarHBondContact OD1-NE 3.17Å; N22-R151 PolarHBondContact OD1-NH2 2.77Å; S43-R151 PolarHBondContact OG-NH1 3.11Å; S45-R151 VanDerWaalsContact CB-NE 3.28Å; S45-R151 VanDerWaalsContact OG-CB 3.25Å; S45-R151 WeakPolarHBondContact OG-CB 3.41Å; S45-R151 WeakPolarHBondContact OG-CD 3.41Å; S45-R151 PolarHBondContact OG-NE 3.39Å; S148-R151 PolarHBondContact O-N 3.28Å; A149-R151 PolarHBondContact O-N 2.85Å; R151-I153 PolarHBondContact O-N 3.21Å; R151-Y154 PolarHBondContact O-N 3.36Å; R151-V158 HydrophobicContact CB-CB 4.26Å; R151-V158 HydrophobicContact CB-CG1 4.08Å; R151-V158 HydrophobicContact CG-CG1 4.25Å; R151-W160 HydrophobicContact CG-CB 3.88Å
152	S	96.1	Very high	96.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-71.7	-10.2	175.5	-77.6	0	0	0	0	113.6	P20 N22 S121 A149 Y154 P371	P20-S152 PolarHBondContact O-OG 2.87Å; N22-S152 PolarHBondContact ND2-OG 2.76Å; S121-S152 VanDerWaalsContact OG-C 3.31Å; S121-S152 WeakPolarHBondContact OG-CB 3.44Å; S121-S152 PolarHBondContact OG-O 2.84Å; A149-S152 WeakPolarHBondContact O-CB 3.25Å; A149-S152 PolarHBondContact O-N 2.76Å; S152-Y154 PolarHBondContact O-N 3.37Å; S152-P371 WeakPolarHBondContact O-CD 2.92Å; S152-P371 WeakPolarHBondContact O-CG 3.37Å
153	I	97.5	Very high	95.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-70.5	-21.9	174.3	-64.5	-67.4	0	0	0	111.8	S121 A124 K135 A138 A142 C150 R151 E370	S121-I153 WeakPolarHBondContact OG-CD1 3.37Å; A124-I153 HydrophobicContact CB-CD1 4.34Å; K135-I153 HydrophobicContact CD-CG2 4.34Å; K135-I153 WeakPolarHBondContact CE-O 3.4Å; K135-I153 HydrophobicContact CG-CG2 3.63Å; K135-I153 PolarHBondContact NZ-O 2.98Å; A138-I153 HydrophobicContact CB-CD1 4.24Å; A138-I153 HydrophobicContact CB-CG2 4.18Å; A142-I153 HydrophobicContact CB-CD1 4.06Å; A142-I153 HydrophobicContact CB-CG1 3.82Å; C150-I153 WeakPolarHBondContact O-CB 3.29Å; C150-I153 PolarHBondContact O-N 2.93Å; R151-I153 PolarHBondContact O-N 3.21Å; I153-E370 WeakPolarHBondContact O-CB 3.48Å
154	Y	97.4	Very high	94.7	Very high	17 Å²	17	16.5 Å²	16.5	7%	0.067	8%	0.077	C	C	.	.	S	Bend	trans	-113.7	153.6	-174.9	-60.7	-95.4	0	0	0	111.1	T47 K135 D136 C139 R151 S152 V158 C177 V179	T47-Y154 PolarHBondContact OG1-O 2.89Å; T47-Y154 VanDerWaalsContact OG1-O 3.13Å; K135-Y154 HydrophobicContact CD-CD1 3.92Å; K135-Y154 HydrophobicContact CD-CE1 3.62Å; K135-Y154 VanDerWaalsContact CE-CD1 3.43Å; K135-Y154 HydrophobicContact CG-CE1 3.9Å; D136-Y154 PolarHBondContact OD1-OH 3.5Å; C139-Y154 HydrophobicContact CB-CE2 3.85Å; R151-Y154 PolarHBondContact O-N 3.36Å; S152-Y154 PolarHBondContact O-N 3.37Å; Y154-V158 HydrophobicContact CD2-CG1 4.4Å; Y154-C177 HydrophobicContact CD2-CB 3.7Å; Y154-C177 HydrophobicContact CE2-CB 3.47Å; Y154-C177 VanDerWaalsContact CE2-CB 3.47Å; Y154-V179 HydrophobicContact CD1-CG2 3.93Å; Y154-V179 HydrophobicContact CG-CG2 4.25Å
155	P	97	Very high	93.7	Very high	9 Å²	9	20.6 Å²	20.6	6%	0.058	10%	0.099	C	C	.	.			trans	-81.6	166.6	-179.9	35.2	-35.8	0	0	0	111.6	F157 V179 E370	P155-F157 PolarHBondContact O-N 2.89Å; P155-V179 HydrophobicContact CG-CG2 4.47Å; P155-E370 HydrophobicContact CB-CB 4.4Å; P155-E370 WeakPolarHBondContact CD-OE2 3.3Å
156	G	97.9	Very high	92.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	67.8	-126.9	164.7	0	0	0	0	0	113.3	I46 T47 G368	I46-G156 WeakPolarHBondContact CA-O 3.44Å; T47-G156 PolarHBondContact N-O 3.13Å; T47-G156 VanDerWaalsContact N-O 3.1Å; G156-G368 PolarHBondContact N-O 3.41Å
157	F	98.7	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123	-179.1	-59.3	-99.6	0	0	0	109.8	L25 S45 I46 P155 V179 I180 A181 W186 L189 I238 I367	L25-F157 HydrophobicContact CD1-CD1 4.22Å; L25-F157 HydrophobicContact CD1-CE1 4.45Å; S45-F157 CarbonylContact O-C 3.59Å; S45-F157 WeakPolarHBondContact O-CA 3.3Å; I46-F157 HydrophobicContact CG2-CB 4.5Å; I46-F157 HydrophobicContact CG2-CD1 3.09Å; I46-F157 HydrophobicContact CG2-CE1 3.3Å; I46-F157 HydrophobicContact CG2-CG 3.82Å; I46-F157 HydrophobicContact CG2-CZ 4.17Å; P155-F157 PolarHBondContact O-N 2.89Å; F157-V179 CarbonylContact O-C 3.55Å; F157-I180 HydrophobicContact CB-CB 4Å; F157-I180 HydrophobicContact CB-CD1 4.38Å; F157-I180 PolarHBondContact O-N 2.9Å; F157-A181 HydrophobicContact CB-CB 4.47Å; F157-A181 HydrophobicContact CD2-CB 3.84Å; F157-A181 HydrophobicContact CG-CB 4.49Å; F157-A181 PolarHBondContact N-O 2.94Å; F157-W186 HydrophobicContact CE2-CB 4.33Å; F157-W186 HydrophobicContact CZ-CB 4.26Å; F157-W186 HydrophobicContact CZ-CE3 4.15Å; F157-L189 HydrophobicContact CE1-CD2 4.05Å; F157-L189 HydrophobicContact CZ-CD2 3.83Å; F157-I238 HydrophobicContact CB-CD1 4.33Å; F157-I238 HydrophobicContact CB-CG2 4.06Å; F157-I238 HydrophobicContact CD1-CB 4.25Å; F157-I238 HydrophobicContact CD1-CD1 3.48Å; F157-I238 VanDerWaalsContact CD1-CD1 3.48Å; F157-I238 HydrophobicContact CD1-CG1 3.6Å; F157-I238 HydrophobicContact CD1-CG2 3.59Å; F157-I238 HydrophobicContact CD2-CG2 3.83Å; F157-I238 HydrophobicContact CE1-CB 4.39Å; F157-I238 HydrophobicContact CE1-CD1 4.1Å; F157-I238 HydrophobicContact CE1-CG1 3.72Å; F157-I238 HydrophobicContact CE1-CG2 3.85Å; F157-I238 HydrophobicContact CE2-CG2 4.05Å; F157-I238 HydrophobicContact CG-CD1 4.21Å; F157-I238 HydrophobicContact CG-CG1 4.4Å; F157-I238 HydrophobicContact CG-CG2 3.57Å; F157-I238 HydrophobicContact CZ-CG2 4.05Å; F157-I367 HydrophobicContact CD2-CD1 4.34Å; F157-I367 HydrophobicContact CE1-CD1 4.21Å; F157-I367 HydrophobicContact CE2-CD1 3.29Å; F157-I367 HydrophobicContact CZ-CD1 3.21Å
158	V	98.5	Very high	90.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126	-169.7	-173.3	0	0	0	0	110.6	I44 S45 R151 Y154 C177 E178	I44-V158 CarbonylContact C-O 3.59Å; I44-V158 VanDerWaalsContact CA-O 3.26Å; I44-V158 WeakPolarHBondContact CA-O 3.45Å; S45-V158 PolarHBondContact N-O 2.83Å; S45-V158 PolarHBondContact O-N 2.85Å; R151-V158 HydrophobicContact CB-CB 4.26Å; R151-V158 HydrophobicContact CB-CG1 4.08Å; R151-V158 HydrophobicContact CG-CG1 4.25Å; Y154-V158 HydrophobicContact CD2-CG1 4.4Å; V158-C177 HydrophobicContact CG1-CB 3.82Å; V158-E178 WeakPolarHBondContact CA-O 3.08Å
159	H	98.4	Very high	89.9	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.028	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.4	172.9	-173.5	-178.4	0	0	0	109.3	D42 S43 I44 K161 C177 E178 I180 K235	D42-H159 IonicContact OD2-CD2 2.74Å; D42-H159 IonicContact OD2-CE1 3.29Å; D42-H159 PolarHBondContact OD2-CE1 2.87Å; D42-H159 IonicContact OD2-NE2 2.84Å; D42-H159 PolarHBondContact OD2-NE2 3.32Å; S43-H159 CarbonylContact O-C 3.13Å; S43-H159 WeakPolarHBondContact O-CA 3.25Å; S43-H159 PolarHBondContact O-CD2 3.18Å; I44-H159 HydrophobicContact CG1-CB 4.46Å; H159-K161 WeakPolarHBondContact CE1-CG 3.16Å; H159-K161 WeakPolarHBondContact NE2-CG 3.36Å; H159-C177 CarbonylContact O-C 3.51Å; H159-C177 VanDerWaalsContact O-CA 3.31Å; H159-C177 WeakPolarHBondContact O-CA 3.44Å; H159-E178 PolarHBondContact N-O 3.46Å; H159-E178 PolarHBondContact O-N 3.48Å; H159-I180 HydrophobicContact CB-CD1 3.9Å; H159-I180 HydrophobicContact CB-CG1 3.78Å; H159-K235 PolarHBondContact ND1-NZ 3.39Å
160	W	97.6	Very high	88.9	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.3	166.5	-176.4	15.3	0	0	0	109.3	Y28 P39 D42 S43 R143 G147 C150 R151 N175	Y28-W160 AromaticContact CD1-CZ3 3.86Å; Y28-W160 HydrophobicContact CD1-CZ3 3.86Å; Y28-W160 HydrophobicContact CD2-CE3 4.44Å; Y28-W160 HydrophobicContact CD2-CH2 4.3Å; Y28-W160 AromaticContact CD2-CZ3 3.71Å; Y28-W160 HydrophobicContact CD2-CZ3 3.71Å; Y28-W160 HydrophobicContact CE1-CH2 4.26Å; Y28-W160 AromaticContact CE1-CZ3 3.88Å; Y28-W160 HydrophobicContact CE1-CZ3 3.88Å; Y28-W160 AromaticContact CE2-CH2 3.91Å; Y28-W160 HydrophobicContact CE2-CH2 3.91Å; Y28-W160 AromaticContact CE2-CZ3 3.77Å; Y28-W160 HydrophobicContact CE2-CZ3 3.77Å; Y28-W160 HydrophobicContact CG-CE3 4.39Å; Y28-W160 AromaticContact CG-CZ3 3.75Å; Y28-W160 HydrophobicContact CG-CZ3 3.75Å; Y28-W160 AromaticContact CZ-CH2 3.83Å; Y28-W160 AromaticContact CZ-CZ3 3.8Å; P39-W160 HydrophobicContact CB-CH2 4Å; P39-W160 HydrophobicContact CB-CZ2 4.15Å; P39-W160 HydrophobicContact CB-CZ3 4.24Å; P39-W160 VanDerWaalsContact CD-CZ2 3.45Å; P39-W160 HydrophobicContact CG-CD2 4.17Å; P39-W160 HydrophobicContact CG-CE3 4.49Å; P39-W160 HydrophobicContact CG-CH2 4.02Å; P39-W160 HydrophobicContact CG-CZ2 3.66Å; P39-W160 HydrophobicContact CG-CZ3 4.42Å; D42-W160 CarbonylContact C-O 3.47Å; D42-W160 VanDerWaalsContact CA-O 3.22Å; D42-W160 WeakPolarHBondContact CA-O 3.45Å; S43-W160 PolarHBondContact N-O 2.94Å; S43-W160 PolarHBondContact O-N 3.39Å; R143-W160 VanDerWaalsContact CD-CZ2 3.49Å; R143-W160 HydrophobicContact CG-CH2 4.29Å; R143-W160 HydrophobicContact CG-CZ2 3.78Å; G147-W160 VanDerWaalsContact C-CZ3 3.45Å; G147-W160 WeakPolarHBondContact O-CH2 3.02Å; G147-W160 WeakPolarHBondContact O-CZ3 3.42Å; C150-W160 VanDerWaalsContact SG-CD2 3.52Å; R151-W160 HydrophobicContact CG-CB 3.88Å; W160-N175 PolarHBondContact NE1-OD1 2.83Å
161	K	95.4	Very high	87.8	Confident	43 Å²	43	32.3 Å²	32.3	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.7	-173.3	-67	167.4	77.5	172.4	0	110.9	D42 H159 V174 N175 R176 E178	D42-K161 WeakPolarHBondContact OD1-CA 3.45Å; H159-K161 WeakPolarHBondContact CE1-CG 3.16Å; H159-K161 WeakPolarHBondContact NE2-CG 3.36Å; K161-V174 HydrophobicContact CB-CG1 4.5Å; K161-N175 VanDerWaalsContact O-CA 3.28Å; K161-N175 WeakPolarHBondContact O-CA 3.36Å; K161-R176 PolarHBondContact N-O 3.45Å; K161-R176 PolarHBondContact O-N 3.29Å; K161-E178 HydrophobicContact CD-CG 4.09Å; K161-E178 WeakPolarHBondContact CD-OE1 3.22Å; K161-E178 VanDerWaalsContact CD-OE2 3.26Å; K161-E178 WeakPolarHBondContact CD-OE2 3.15Å; K161-E178 IonicContact NZ-OE1 3.9Å; K161-E178 PolarHBondContact NZ-OE1 3.23Å; K161-E178 IonicContact NZ-OE2 3.2Å; K161-E178 PolarHBondContact NZ-OE2 3.43Å
162	V	91.6	Very high	86.7	Confident	10 Å²	10	35.1 Å²	35.1	6%	0.061	21%	0.211	C	C	.	.			trans	-136	155.5	168.7	66.8	0	0	0	0	109.9	I38 P39 D42 A171	I38-V162 HydrophobicContact CG2-CG2 3.88Å; P39-V162 HydrophobicContact CG-CB 3.98Å; P39-V162 HydrophobicContact CG-CG1 4.18Å; P39-V162 HydrophobicContact CG-CG2 4.35Å; D42-V162 PolarHBondContact OD1-N 3.05Å; V162-A171 HydrophobicContact CG2-CB 3.78Å
163	S	83.7	Confident	85.8	Confident	24 Å²	24	38.9 Å²	38.9	17%	0.168	24%	0.242	C	C	.	.			trans	-63.4	142.4	174	-176.1	0	0	0	0	111.1	D165 A170	S163-D165 VanDerWaalsContact CB-OD1 3.29Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact OG-N 3.23Å; S163-D165 PolarHBondContact OG-OD1 3.17Å; S163-A170 WeakPolarHBondContact CB-O 3.28Å; S163-A170 WeakPolarHBondContact OG-CB 3.5Å
164	R	76.3	Confident	85	Confident	181 Å²	181	41.1 Å²	41.1	68%	0.683	26%	0.256	S	S	*	.	S	Bend	trans	-87.7	-12.2	178.8	-62.7	-175.8	-179.4	-176.8	-1.7	113.8	G166	R164-G166 PolarHBondContact O-N 3.17Å
165	D	73.8	Confident	84.7	Confident	93 Å²	93	41.4 Å²	41.4	50%	0.497	26%	0.259	S	S	.	.	S	Bend	trans	-71.4	-6.2	-178.3	75.3	-28.2	0	0	0	113.2	S163 S167 A170	S163-D165 VanDerWaalsContact CB-OD1 3.29Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact OG-N 3.23Å; S163-D165 PolarHBondContact OG-OD1 3.17Å; D165-S167 PolarHBondContact O-N 3.48Å; D165-S167 PolarHBondContact OD1-N 3.21Å; D165-S167 WeakPolarHBondContact OD2-CB 3.48Å; D165-S167 PolarHBondContact OD2-OG 3.22Å; D165-A170 VanDerWaalsContact OD1-CB 3.29Å; D165-A170 WeakPolarHBondContact OD1-CB 3.2Å; D165-A170 WeakPolarHBondContact OD2-CB 3.26Å
166	G	67.4	Low	84.5	Confident	48 Å²	48	46.6 Å²	46.6	50%	0.495	28%	0.277	S	S	.	.			trans	69.1	-2.2	179.9	0	0	0	0	0	114.3	R164	R164-G166 PolarHBondContact O-N 3.17Å
167	S	76.4	Confident	84.5	Confident	45 Å²	45	46.9 Å²	46.9	32%	0.315	28%	0.279	S	S	.	.			trans	-82.7	138.3	179.5	87.3	0	0	0	0	110.2	D165 A169 A170 A171	D165-S167 PolarHBondContact O-N 3.48Å; D165-S167 PolarHBondContact OD1-N 3.21Å; D165-S167 WeakPolarHBondContact OD2-CB 3.48Å; D165-S167 PolarHBondContact OD2-OG 3.22Å; S167-A169 PolarHBondContact O-N 3.41Å; S167-A170 PolarHBondContact O-N 3.48Å; S167-A170 WeakPolarHBondContact OG-CB 3.5Å; S167-A170 PolarHBondContact OG-N 2.86Å; S167-A171 WeakPolarHBondContact O-CB 3.27Å; S167-A171 PolarHBondContact O-N 3.3Å
168	L	77	Confident	84.3	Confident	90 Å²	90	49.7 Å²	49.7	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-37	177.5	-73.5	171.2	0	0	0	112.1	L32 D33 A172	L32-L168 HydrophobicContact CD2-CD2 3.95Å; L32-L168 HydrophobicContact CG-CD2 3.83Å; D33-L168 HydrophobicContact CB-CD2 3.73Å; L168-A172 VanDerWaalsContact O-CB 3.29Å; L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 2.75Å
169	A	77.3	Confident	84.3	Confident	82 Å²	82	52 Å²	52	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-64.7	-48.2	-178.4	0	0	0	0	0	112.1	S167 A173	S167-A169 PolarHBondContact O-N 3.41Å; A169-A173 PolarHBondContact O-N 3.27Å
170	A	75.5	Confident	84.3	Confident	25 Å²	25	53.2 Å²	53.2	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-75.5	-35	177.8	0	0	0	0	0	112	S163 D165 S167 A172 A173 V174	S163-A170 WeakPolarHBondContact CB-O 3.28Å; S163-A170 WeakPolarHBondContact OG-CB 3.5Å; D165-A170 VanDerWaalsContact OD1-CB 3.29Å; D165-A170 WeakPolarHBondContact OD1-CB 3.2Å; D165-A170 WeakPolarHBondContact OD2-CB 3.26Å; S167-A170 PolarHBondContact O-N 3.48Å; S167-A170 WeakPolarHBondContact OG-CB 3.5Å; S167-A170 PolarHBondContact OG-N 2.86Å; A170-A172 VanDerWaalsContact C-N 3.3Å; A170-A172 PolarHBondContact O-N 3.17Å; A170-A173 PolarHBondContact O-N 2.95Å; A170-A173 VanDerWaalsContact O-N 3.12Å; A170-V174 WeakPolarHBondContact O-CG2 3.44Å; A170-V174 PolarHBondContact O-N 3.47Å
171	A	73.5	Confident	84.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-47.7	173	0	0	0	0	0	110.4	L32 I38 V162 S167 A173 V174 N175	L32-A171 HydrophobicContact CD2-CB 3.87Å; I38-A171 HydrophobicContact CG2-CB 3.88Å; V162-A171 HydrophobicContact CG2-CB 3.78Å; S167-A171 WeakPolarHBondContact O-CB 3.27Å; S167-A171 PolarHBondContact O-N 3.3Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 2.83Å; A171-V174 PolarHBondContact O-N 2.8Å; A171-N175 WeakPolarHBondContact O-CB 3.36Å; A171-N175 PolarHBondContact O-N 2.9Å
172	A	73.4	Confident	84.5	Confident	63 Å²	63	56.1 Å²	56.1	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-37.3	175.7	0	0	0	0	0	113.2	L168 A170	L168-A172 VanDerWaalsContact O-CB 3.29Å; L168-A172 WeakPolarHBondContact O-CB 3.42Å; L168-A172 PolarHBondContact O-N 2.75Å; A170-A172 VanDerWaalsContact C-N 3.3Å; A170-A172 PolarHBondContact O-N 3.17Å
173	A	77.4	Confident	84.7	Confident	79 Å²	79	56.6 Å²	56.6	65%	0.653	33%	0.334	S	S	*	.	H	α-helix	trans	-71.3	-27.7	179.7	0	0	0	0	0	114	A169 A170 A171	A169-A173 PolarHBondContact O-N 3.27Å; A170-A173 PolarHBondContact O-N 2.95Å; A170-A173 VanDerWaalsContact O-N 3.12Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 2.83Å
174	V	82	Confident	85.3	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.291	36%	0.357	S	S	.	.	H	α-helix	trans	-102.3	-17.8	-176.5	-179.9	0	0	0	0	112.6	K161 A170 A171 R176	K161-V174 HydrophobicContact CB-CG1 4.5Å; A170-V174 WeakPolarHBondContact O-CG2 3.44Å; A170-V174 PolarHBondContact O-N 3.47Å; A171-V174 PolarHBondContact O-N 2.8Å; V174-R176 WeakPolarHBondContact O-CG 3.46Å; V174-R176 PolarHBondContact O-N 2.85Å
175	N	89.7	Confident	86.3	Confident	23 Å²	23	55 Å²	55	12%	0.123	34%	0.335	C	S	.	.			trans	-62.8	96	-173	-179.3	21.5	0	0	0	113.2	R143 W160 K161 A171	R143-N175 PolarHBondContact NE-ND2 3.26Å; R143-N175 PolarHBondContact NH1-ND2 3.37Å; W160-N175 PolarHBondContact NE1-OD1 2.83Å; K161-N175 VanDerWaalsContact O-CA 3.28Å; K161-N175 WeakPolarHBondContact O-CA 3.36Å; A171-N175 WeakPolarHBondContact O-CB 3.36Å; A171-N175 PolarHBondContact O-N 2.9Å
176	R	93.8	Very high	87.4	Confident	117 Å²	117	50.8 Å²	50.8	44%	0.442	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	160.5	-178.2	71.8	-167.5	-177.6	-139	5.6	112.2	K161 V174 E178	K161-R176 PolarHBondContact N-O 3.45Å; K161-R176 PolarHBondContact O-N 3.29Å; V174-R176 WeakPolarHBondContact O-CG 3.46Å; V174-R176 PolarHBondContact O-N 2.85Å; R176-E178 HydrophobicContact CG-CG 4.4Å; R176-E178 IonicContact CZ-OE1 2.76Å; R176-E178 IonicContact NE-OE1 3.42Å; R176-E178 PolarHBondContact NE-OE1 2.85Å; R176-E178 IonicContact NH2-OE1 2.79Å; R176-E178 PolarHBondContact NH2-OE1 2.97Å
177	C	96.7	Very high	88.8	Confident	7 Å²	7	51.5 Å²	51.5	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.6	168.9	-72.5	0	0	0	0	110.6	C150 Y154 V158 H159	C150-C177 PolarHBondContact SG-SG 3.46Å; Y154-C177 HydrophobicContact CD2-CB 3.7Å; Y154-C177 HydrophobicContact CE2-CB 3.47Å; Y154-C177 VanDerWaalsContact CE2-CB 3.47Å; V158-C177 HydrophobicContact CG1-CB 3.82Å; H159-C177 CarbonylContact O-C 3.51Å; H159-C177 VanDerWaalsContact O-CA 3.31Å; H159-C177 WeakPolarHBondContact O-CA 3.44Å
178	E	96	Very high	89.8	Confident	58 Å²	58	53.4 Å²	53.4	27%	0.271	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139	173.1	-68.6	174.1	-171.7	0	0	108.9	V158 H159 K161 R176 I180	V158-E178 WeakPolarHBondContact CA-O 3.08Å; H159-E178 PolarHBondContact N-O 3.46Å; H159-E178 PolarHBondContact O-N 3.48Å; K161-E178 HydrophobicContact CD-CG 4.09Å; K161-E178 WeakPolarHBondContact CD-OE1 3.22Å; K161-E178 VanDerWaalsContact CD-OE2 3.26Å; K161-E178 WeakPolarHBondContact CD-OE2 3.15Å; K161-E178 IonicContact NZ-OE1 3.9Å; K161-E178 PolarHBondContact NZ-OE1 3.23Å; K161-E178 IonicContact NZ-OE2 3.2Å; K161-E178 PolarHBondContact NZ-OE2 3.43Å; R176-E178 HydrophobicContact CG-CG 4.4Å; R176-E178 IonicContact CZ-OE1 2.76Å; R176-E178 IonicContact NE-OE1 3.42Å; R176-E178 PolarHBondContact NE-OE1 2.85Å; R176-E178 IonicContact NH2-OE1 2.79Å; R176-E178 PolarHBondContact NH2-OE1 2.97Å; E178-I180 PolarHBondContact O-N 2.9Å
179	V	98.1	Very high	90.8	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.297	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.9	171.1	179.4	0	0	0	0	108.3	Y154 P155 F157 A181	Y154-V179 HydrophobicContact CD1-CG2 3.93Å; Y154-V179 HydrophobicContact CG-CG2 4.25Å; P155-V179 HydrophobicContact CG-CG2 4.47Å; F157-V179 CarbonylContact O-C 3.55Å; V179-A181 WeakPolarHBondContact CG1-O 3.17Å
180	I	98.5	Very high	91.7	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.159	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-47.5	170.6	-60	163	0	0	0	109	I44 F157 H159 E178 K235 I238 I239	I44-I180 HydrophobicContact CB-CD1 4.41Å; I44-I180 HydrophobicContact CD1-CD1 3.97Å; I44-I180 HydrophobicContact CG1-CD1 3.92Å; I44-I180 HydrophobicContact CG2-CD1 3.66Å; F157-I180 HydrophobicContact CB-CB 4Å; F157-I180 HydrophobicContact CB-CD1 4.38Å; F157-I180 PolarHBondContact O-N 2.9Å; H159-I180 HydrophobicContact CB-CD1 3.9Å; H159-I180 HydrophobicContact CB-CG1 3.78Å; E178-I180 PolarHBondContact O-N 2.9Å; I180-K235 HydrophobicContact CD1-CG 3.92Å; I180-K235 HydrophobicContact CG1-CG 4.31Å; I180-K235 HydrophobicContact CG2-CG 4.46Å; I180-I238 HydrophobicContact CD1-CD1 4.26Å; I180-I238 HydrophobicContact CG2-CB 4.47Å; I180-I238 HydrophobicContact CG2-CG2 3.98Å; I180-I239 HydrophobicContact CG2-CD1 4.48Å; I180-I239 HydrophobicContact CG2-CG1 4.19Å
181	A	98.4	Very high	92.7	Very high	9 Å²	9	44.2 Å²	44.2	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	147.6	-179	0	0	0	0	0	110.8	F157 V179 H185 I238	F157-A181 HydrophobicContact CB-CB 4.47Å; F157-A181 HydrophobicContact CD2-CB 3.84Å; F157-A181 HydrophobicContact CG-CB 4.49Å; F157-A181 PolarHBondContact N-O 2.94Å; V179-A181 WeakPolarHBondContact CG1-O 3.17Å; A181-H185 HydrophobicContact CB-CB 3.64Å; A181-H185 VanDerWaalsContact CB-CG 3.49Å; A181-I238 HydrophobicContact CB-CG2 4.06Å
182	Q	97.9	Very high	93.8	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	25%	0.249	S	C	.	.			trans	-70.9	166.6	-179.4	-63.3	-61.2	-30.6	0	0	111.9	D184 H185	Q182-D184 WeakPolarHBondContact CB-OD1 3.3Å; Q182-D184 PolarHBondContact O-N 3.47Å; Q182-H185 WeakPolarHBondContact O-CB 3.42Å; Q182-H185 PolarHBondContact O-N 2.9Å
183	A	95.3	Very high	94.8	Very high	21 Å²	21	41.2 Å²	41.2	17%	0.174	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.8	-33.9	-178	0	0	0	0	0	113.2	H185 I367 G368 T369	A183-H185 VanDerWaalsContact C-N 3.31Å; A183-I367 HydrophobicContact CB-CG2 4.4Å; A183-G368 VanDerWaalsContact CB-O 3.29Å; A183-G368 WeakPolarHBondContact CB-O 3.36Å; A183-T369 HydrophobicContact CB-CG2 4.3Å
184	D	96.6	Very high	95.6	Very high	122 Å²	122	37.4 Å²	37.4	65%	0.652	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-84.3	-2	177.9	64.1	-18.2	0	0	0	113.5	Q182 W186 P187	Q182-D184 WeakPolarHBondContact CB-OD1 3.3Å; Q182-D184 PolarHBondContact O-N 3.47Å; D184-W186 VanDerWaalsContact C-N 3.26Å; D184-W186 PolarHBondContact O-N 3.33Å; D184-P187 WeakPolarHBondContact O-CD 3.42Å
185	H	98.1	Very high	96	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.222	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30.6	179.2	173.9	72.9	0	0	0	112.4	A181 Q182 A183 I238 I239 R241	A181-H185 HydrophobicContact CB-CB 3.64Å; A181-H185 VanDerWaalsContact CB-CG 3.49Å; Q182-H185 WeakPolarHBondContact O-CB 3.42Å; Q182-H185 PolarHBondContact O-N 2.9Å; A183-H185 VanDerWaalsContact C-N 3.31Å; H185-I238 PolarHBondContact CD2-O 3.46Å; H185-I238 PolarHBondContact NE2-O 3.39Å; H185-I239 PolarHBondContact NE2-O 3.02Å; H185-R241 PolarHBondContact O-NE 2.94Å; H185-R241 PolarHBondContact O-NH2 3.35Å
186	W	97.4	Very high	95.9	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.019	18%	0.179	C	C	.	.	S	Bend	trans	-137	73.5	179.7	-162.2	-12.4	0	0	0	110.1	F157 D184 E188 L189 R241 F243 L246 I367	F157-W186 HydrophobicContact CE2-CB 4.33Å; F157-W186 HydrophobicContact CZ-CB 4.26Å; F157-W186 HydrophobicContact CZ-CE3 4.15Å; D184-W186 VanDerWaalsContact C-N 3.26Å; D184-W186 PolarHBondContact O-N 3.33Å; W186-E188 VanDerWaalsContact CD1-OE2 3.29Å; W186-E188 PolarHBondContact O-N 3.29Å; W186-L189 HydrophobicContact CB-CB 4.25Å; W186-L189 HydrophobicContact CD2-CB 4.04Å; W186-L189 HydrophobicContact CD2-CD1 4.36Å; W186-L189 HydrophobicContact CD2-CD2 4.3Å; W186-L189 HydrophobicContact CD2-CG 4.48Å; W186-L189 HydrophobicContact CE3-CD2 4.09Å; W186-L189 HydrophobicContact CG-CB 3.83Å; W186-L189 HydrophobicContact CH2-CD1 4.41Å; W186-L189 HydrophobicContact CZ2-CD1 4.2Å; W186-L189 WeakPolarHBondContact O-CB 3.34Å; W186-L189 PolarHBondContact O-N 2.9Å; W186-R241 HydrophobicContact CB-CG 4.41Å; W186-R241 HydrophobicContact CD2-CB 3.9Å; W186-R241 HydrophobicContact CD2-CG 3.91Å; W186-R241 HydrophobicContact CE3-CB 4.3Å; W186-R241 HydrophobicContact CE3-CG 4.33Å; W186-R241 HydrophobicContact CG-CB 4.33Å; W186-R241 HydrophobicContact CG-CG 3.93Å; W186-R241 HydrophobicContact CH2-CB 4.37Å; W186-R241 HydrophobicContact CZ2-CB 3.96Å; W186-R241 WeakPolarHBondContact CZ2-O 3.32Å; W186-F243 HydrophobicContact CH2-CB 4.2Å; W186-F243 HydrophobicContact CZ2-CB 3.97Å; W186-L246 HydrophobicContact CH2-CD2 4.13Å; W186-L246 HydrophobicContact CZ3-CD2 3.72Å; W186-I367 HydrophobicContact CB-CD1 4.27Å
187	P	96.1	Very high	95.4	Very high	63 Å²	63	29.9 Å²	29.9	41%	0.409	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.5	-169.4	27.8	-34.8	0	0	0	113.1	D184 L189	D184-P187 WeakPolarHBondContact O-CD 3.42Å; P187-L189 VanDerWaalsContact C-N 3.32Å
188	E	96.9	Very high	94.4	Very high	86 Å²	86	32.7 Å²	32.7	40%	0.402	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.6	175.7	-52	84.9	172.3	0	0	112.9	W186 R309 Q310	W186-E188 VanDerWaalsContact CD1-OE2 3.29Å; W186-E188 PolarHBondContact O-N 3.29Å; E188-R309 CarbonylContact O-C 3.56Å; E188-R309 WeakPolarHBondContact O-CA 3.31Å; E188-Q310 PolarHBondContact O-N 2.84Å
189	L	98	Very high	93.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.8	-179.6	-163	73.9	0	0	0	110.5	F157 W186 P187 F243 L246 I307 I367	F157-L189 HydrophobicContact CE1-CD2 4.05Å; F157-L189 HydrophobicContact CZ-CD2 3.83Å; W186-L189 HydrophobicContact CB-CB 4.25Å; W186-L189 HydrophobicContact CD2-CB 4.04Å; W186-L189 HydrophobicContact CD2-CD1 4.36Å; W186-L189 HydrophobicContact CD2-CD2 4.3Å; W186-L189 HydrophobicContact CD2-CG 4.48Å; W186-L189 HydrophobicContact CE3-CD2 4.09Å; W186-L189 HydrophobicContact CG-CB 3.83Å; W186-L189 HydrophobicContact CH2-CD1 4.41Å; W186-L189 HydrophobicContact CZ2-CD1 4.2Å; W186-L189 WeakPolarHBondContact O-CB 3.34Å; W186-L189 PolarHBondContact O-N 2.9Å; P187-L189 VanDerWaalsContact C-N 3.32Å; L189-F243 HydrophobicContact CD1-CD2 3.81Å; L189-F243 HydrophobicContact CD1-CE2 4.07Å; L189-L246 HydrophobicContact CD2-CD2 4.24Å; L189-I307 HydrophobicContact CD1-CG2 3.63Å; L189-I307 HydrophobicContact CD2-CG2 4.12Å; L189-I307 HydrophobicContact CG-CG2 3.91Å; L189-I367 HydrophobicContact CB-CD1 4.06Å; L189-I367 HydrophobicContact CB-CG1 4.4Å; L189-I367 HydrophobicContact CD2-CD1 3.93Å; L189-I367 HydrophobicContact CD2-CG1 4.49Å
190	C	96.4	Very high	92.5	Very high	2 Å²	2	39 Å²	39	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156	176.4	-69.1	0	0	0	0	111	I307 C308 Q310 V313 S365	C190-I307 WeakPolarHBondContact O-CA 3.18Å; C190-C308 PolarHBondContact N-O 2.99Å; C190-C308 PolarHBondContact O-N 3.33Å; C190-Q310 VanDerWaalsContact SG-CB 3.57Å; C190-V313 HydrophobicContact CB-CG2 4.28Å; C190-S365 CarbonylContact C-O 3.35Å; C190-S365 WeakPolarHBondContact CA-O 3.41Å
191	V	96.8	Very high	91.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.2	173.5	-172.8	0	0	0	0	108.3	L23 I46 I48 V193 F305 V306 S365	L23-V191 HydrophobicContact CD2-CG1 4.22Å; I46-V191 HydrophobicContact CD1-CG2 3.35Å; I46-V191 HydrophobicContact CG1-CG2 4.43Å; I48-V191 HydrophobicContact CD1-CB 4.44Å; I48-V191 HydrophobicContact CD1-CG1 3.91Å; V191-V193 HydrophobicContact CG1-CG2 4.4Å; V191-F305 HydrophobicContact CG1-CB 4.23Å; V191-F305 HydrophobicContact CG1-CD1 3.94Å; V191-V306 CarbonylContact C-O 3.59Å; V191-V306 WeakPolarHBondContact CA-O 3.25Å; V191-S365 PolarHBondContact N-O 3.43Å; V191-S365 PolarHBondContact O-N 3.03Å
192	L	95.8	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130	166.9	-54.3	79.5	0	0	0	107.8	L194 F305 V306 C308 V313 F316 L317 V363	L192-L194 HydrophobicContact CB-CD2 4.12Å; L192-F305 CarbonylContact O-C 3.56Å; L192-F305 WeakPolarHBondContact O-CA 3.48Å; L192-V306 HydrophobicContact CB-CB 4.21Å; L192-V306 HydrophobicContact CD1-CB 4.26Å; L192-V306 HydrophobicContact CD1-CG1 4.33Å; L192-V306 WeakPolarHBondContact CD1-O 3.33Å; L192-V306 PolarHBondContact N-O 3.22Å; L192-V306 PolarHBondContact O-N 2.9Å; L192-C308 WeakPolarHBondContact CD1-SG 3.35Å; L192-V313 HydrophobicContact CD1-CG2 4.37Å; L192-F316 HydrophobicContact CD2-CD1 4.27Å; L192-L317 HydrophobicContact CD2-CD2 3.52Å; L192-L317 HydrophobicContact CD2-CG 3.96Å; L192-V363 CarbonylContact C-O 3.56Å; L192-V363 VanDerWaalsContact CA-O 3.31Å; L192-V363 WeakPolarHBondContact CA-O 3.25Å
193	V	94	Very high	90.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.9	171.7	-166	0	0	0	0	108	L51 L113 V191 I195 F305 V362 V363	L51-V193 HydrophobicContact CD1-CB 4.17Å; L51-V193 HydrophobicContact CD1-CG1 3.98Å; L51-V193 HydrophobicContact CD1-CG2 3.73Å; L51-V193 HydrophobicContact CG-CG2 4.39Å; L113-V193 HydrophobicContact CD2-CG1 3.63Å; V191-V193 HydrophobicContact CG1-CG2 4.4Å; V193-I195 HydrophobicContact CG1-CG1 4.2Å; V193-F305 HydrophobicContact CB-CD1 4.36Å; V193-F305 HydrophobicContact CB-CE1 4.35Å; V193-F305 HydrophobicContact CG1-CD1 4.06Å; V193-F305 HydrophobicContact CG1-CE1 3.77Å; V193-F305 HydrophobicContact CG1-CZ 4.17Å; V193-F305 HydrophobicContact CG2-CD1 3.7Å; V193-F305 HydrophobicContact CG2-CE1 3.71Å; V193-V362 WeakPolarHBondContact O-CA 3.08Å; V193-V363 HydrophobicContact CB-CB 4.14Å; V193-V363 HydrophobicContact CG2-CB 4.4Å; V193-V363 PolarHBondContact N-O 2.82Å; V193-V363 PolarHBondContact O-N 3.29Å
194	L	94.2	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105	-177.1	-49.6	-176.1	0	0	0	108.7	L192 F274 L278 C304 V306 V320 L359 V362	L192-L194 HydrophobicContact CB-CD2 4.12Å; L194-F274 HydrophobicContact CB-CZ 4.32Å; L194-L278 HydrophobicContact CB-CD1 4.46Å; L194-L278 HydrophobicContact CD1-CD1 4.09Å; L194-L278 HydrophobicContact CD1-CD2 3.57Å; L194-C304 HydrophobicContact CB-CB 4.23Å; L194-C304 PolarHBondContact N-O 3.41Å; L194-C304 PolarHBondContact O-N 3.02Å; L194-V306 HydrophobicContact CD1-CG2 3.73Å; L194-V306 HydrophobicContact CG-CG2 4.31Å; L194-V320 HydrophobicContact CD1-CG1 4.07Å; L194-V320 HydrophobicContact CD1-CG2 4.02Å; L194-V320 HydrophobicContact CD2-CG1 4.1Å; L194-L359 HydrophobicContact CB-CD1 3.98Å; L194-V362 HydrophobicContact CD2-CB 4.48Å; L194-V362 HydrophobicContact CD2-CG1 4.01Å; L194-V362 HydrophobicContact CD2-CG2 3.98Å
195	I	90.5	Very high	90	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.1	-175.8	-59	162.9	0	0	0	108.1	F107 L113 V193 E198 N303 R360 L361	F107-I195 HydrophobicContact CD1-CD1 3.79Å; F107-I195 HydrophobicContact CE1-CD1 3.82Å; L113-I195 HydrophobicContact CD1-CD1 3.46Å; L113-I195 VanDerWaalsContact CD1-CD1 3.46Å; L113-I195 HydrophobicContact CD1-CG1 3.81Å; L113-I195 HydrophobicContact CD2-CG1 4.18Å; V193-I195 HydrophobicContact CG1-CG1 4.2Å; I195-E198 HydrophobicContact CG2-CG 4.35Å; I195-N303 WeakPolarHBondContact CA-OD1 3.36Å; I195-R360 PolarHBondContact O-N 2.91Å; I195-L361 HydrophobicContact CB-CB 4.19Å; I195-L361 HydrophobicContact CD1-CB 4.15Å; I195-L361 HydrophobicContact CD1-CD2 3.79Å; I195-L361 HydrophobicContact CD1-CG 3.97Å; I195-L361 PolarHBondContact N-O 3.39Å; I195-L361 PolarHBondContact O-N 3.07Å
196	G	88.1	Confident	89.6	Confident	11 Å²	11	44.6 Å²	44.6	11%	0.113	24%	0.241	C	C	.	.			trans	-94.3	-30	177.4	0	0	0	0	0	113.7	N303 S358	G196-N303 PolarHBondContact N-OD1 3.13Å; G196-S358 CarbonylContact C-O 3.55Å; G196-S358 WeakPolarHBondContact CA-O 3.48Å
197	T	83.5	Confident	89.5	Confident	19 Å²	19	48.3 Å²	48.3	12%	0.117	26%	0.264	C	S	.	.			trans	-148.7	153.2	175.8	-175.3	0	0	0	0	111.6	E199 C302 N303	T197-E199 WeakPolarHBondContact OG1-CB 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.14Å; T197-E199 PolarHBondContact OG1-N 3.47Å; T197-E199 VanDerWaalsContact OG1-N 3.09Å; T197-C302 WeakPolarHBondContact CG2-SG 3.15Å; T197-N303 PolarHBondContact N-OD1 3.38Å; T197-N303 PolarHBondContact O-ND2 3.28Å; T197-N303 PolarHBondContact O-OD1 3.26Å
198	E	76.8	Confident	89.5	Confident	66 Å²	66	45.3 Å²	45.3	31%	0.308	25%	0.245	S	C	.	.			trans	-108.5	2.7	173.5	-60.8	179.9	163.8	0	0	111.7	P108 S110 A111 I195	P108-E198 HydrophobicContact CG-CB 4.08Å; P108-E198 HydrophobicContact CG-CG 4.18Å; P108-E198 WeakPolarHBondContact CG-OE2 3.31Å; S110-E198 WeakPolarHBondContact CB-O 3.25Å; S110-E198 PolarHBondContact OG-O 2.87Å; A111-E198 HydrophobicContact CB-CB 4.42Å; A111-E198 HydrophobicContact CB-CG 4.35Å; I195-E198 HydrophobicContact CG2-CG 4.35Å
199	E	78.9	Confident	89.5	Confident	139 Å²	139	41.7 Å²	41.7	65%	0.65	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-60.6	142.1	178.6	-73.4	178.6	177.4	0	0	111.2	T197 K201	T197-E199 WeakPolarHBondContact OG1-CB 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.14Å; T197-E199 PolarHBondContact OG1-N 3.47Å; T197-E199 VanDerWaalsContact OG1-N 3.09Å; E199-K201 PolarHBondContact O-N 2.83Å
200	P	73.8	Confident	89.5	Confident	101 Å²	101	43.1 Å²	43.1	66%	0.656	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-63.6	136.5	177	27.6	-33.7	0	0	0	110.5
201	K	80.6	Confident	89.5	Confident	81 Å²	81	43.5 Å²	43.5	35%	0.352	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-58.5	142.1	169.8	58.9	-172.2	166.1	-173.4	0	111.7	E199 C203 S205 Y270	E199-K201 PolarHBondContact O-N 2.83Å; K201-C203 VanDerWaalsContact C-N 3.32Å; K201-C203 VanDerWaalsContact CD-O 3.26Å; K201-C203 WeakPolarHBondContact CD-O 3.36Å; K201-C203 WeakPolarHBondContact CG-O 3.25Å; K201-C203 PolarHBondContact O-N 3.01Å; K201-S205 PolarHBondContact NZ-OG 2.97Å; K201-Y270 HydrophobicContact CD-CE1 4.21Å
202	H	82.5	Confident	89.6	Confident	198 Å²	198	43.5 Å²	43.5	92%	0.917	24%	0.239	S	C	*	.	S	Bend	trans	-60.3	-39	177	-177.2	-92.1	0	0	0	113
203	C	89.8	Confident	89.7	Confident	24 Å²	24	46.3 Å²	46.3	16%	0.162	26%	0.256	C	S	.	.	S	Bend	trans	-122.7	131	178.9	-179	0	0	0	0	110.7	K201 L268 Y270	K201-C203 VanDerWaalsContact C-N 3.32Å; K201-C203 VanDerWaalsContact CD-O 3.26Å; K201-C203 WeakPolarHBondContact CD-O 3.36Å; K201-C203 WeakPolarHBondContact CG-O 3.25Å; K201-C203 PolarHBondContact O-N 3.01Å; C203-L268 HydrophobicContact CB-CD2 4.07Å; C203-Y270 VanDerWaalsContact O-CE1 3.27Å; C203-Y270 WeakPolarHBondContact O-CE1 3.36Å; C203-Y270 PolarHBondContact O-OH 2.93Å
204	S	89.8	Confident	89.9	Confident	52 Å²	52	54.9 Å²	54.9	36%	0.364	29%	0.288	S	S	.	.			trans	-66.5	153.7	176.4	81.8	0	0	0	0	111.9	T206 V207 G208 Y270	S204-T206 VanDerWaalsContact C-N 3.26Å; S204-T206 PolarHBondContact O-N 2.86Å; S204-V207 PolarHBondContact O-N 3.04Å; S204-V207 VanDerWaalsContact OG-CG2 3.32Å; S204-V207 WeakPolarHBondContact OG-CG2 3.41Å; S204-V207 PolarHBondContact OG-N 2.99Å; S204-G208 PolarHBondContact O-N 3.02Å; S204-Y270 PolarHBondContact O-OH 3.4Å
205	S	91.2	Very high	90.1	Very high	32 Å²	32	57.5 Å²	57.5	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-36.1	178.1	-56.3	0	0	0	0	111.5	K201 G208 M209 A300	K201-S205 PolarHBondContact NZ-OG 2.97Å; S205-G208 PolarHBondContact O-N 2.83Å; S205-M209 VanDerWaalsContact O-CB 3.29Å; S205-M209 WeakPolarHBondContact O-CB 3.35Å; S205-M209 WeakPolarHBondContact O-CG 3.46Å; S205-M209 PolarHBondContact O-N 3.29Å; S205-A300 VanDerWaalsContact OG-CB 3.28Å; S205-A300 WeakPolarHBondContact OG-CB 3.49Å
206	T	91.3	Very high	90.4	Very high	56 Å²	56	57.7 Å²	57.7	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-48.8	176.9	-61.1	0	0	0	0	111.5	S204 N210	S204-T206 VanDerWaalsContact C-N 3.26Å; S204-T206 PolarHBondContact O-N 2.86Å; T206-N210 WeakPolarHBondContact O-CB 3.48Å; T206-N210 PolarHBondContact O-N 3.41Å; T206-N210 PolarHBondContact O-OD1 3.48Å
207	V	93.9	Very high	90.9	Very high	84 Å²	84	64.3 Å²	64.3	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-44.4	178.4	172.7	0	0	0	0	110.2	S204 N210 A211	S204-V207 PolarHBondContact O-N 3.04Å; S204-V207 VanDerWaalsContact OG-CG2 3.32Å; S204-V207 WeakPolarHBondContact OG-CG2 3.41Å; S204-V207 PolarHBondContact OG-N 2.99Å; V207-N210 PolarHBondContact O-N 2.94Å; V207-A211 WeakPolarHBondContact O-CB 3.36Å; V207-A211 PolarHBondContact O-N 2.74Å
208	G	96.5	Very high	91.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-50.2	177.9	0	0	0	0	0	112.7	S204 S205 N210 A211 S212	S204-G208 PolarHBondContact O-N 3.02Å; S205-G208 PolarHBondContact O-N 2.83Å; G208-N210 VanDerWaalsContact C-N 3.35Å; G208-N210 PolarHBondContact O-N 3.39Å; G208-A211 WeakPolarHBondContact O-CB 3.35Å; G208-A211 PolarHBondContact O-N 2.92Å; G208-S212 PolarHBondContact O-N 2.87Å; G208-S212 PolarHBondContact O-OG 3.4Å; G208-S212 VanDerWaalsContact O-OG 3.11Å
209	M	97	Very high	92.6	Very high	9 Å²	9	64.3 Å²	64.3	4%	0.044	33%	0.334	C	S	.	.	H	α-helix	trans	-56.3	-48.1	175.5	-71.8	166.4	74.8	0	0	111.5	Y28 W29 K31 S205 A211 S212 V213	Y28-M209 HydrophobicContact CD1-CE 4.23Å; Y28-M209 HydrophobicContact CD2-CE 4.22Å; Y28-M209 HydrophobicContact CE1-CE 3.66Å; Y28-M209 HydrophobicContact CE1-SD 4.45Å; Y28-M209 HydrophobicContact CE2-CE 3.6Å; W29-M209 HydrophobicContact CD2-CG 3.54Å; W29-M209 HydrophobicContact CE3-CG 3.4Å; W29-M209 VanDerWaalsContact CE3-CG 3.4Å; W29-M209 HydrophobicContact CE3-SD 4.22Å; W29-M209 HydrophobicContact CG-CG 4.2Å; W29-M209 HydrophobicContact CH2-CG 3.94Å; W29-M209 HydrophobicContact CZ2-CG 4.07Å; W29-M209 HydrophobicContact CZ3-CG 3.59Å; W29-M209 HydrophobicContact CZ3-SD 4.37Å; K31-M209 HydrophobicContact CG-CE 3.81Å; S205-M209 VanDerWaalsContact O-CB 3.29Å; S205-M209 WeakPolarHBondContact O-CB 3.35Å; S205-M209 WeakPolarHBondContact O-CG 3.46Å; S205-M209 PolarHBondContact O-N 3.29Å; M209-A211 VanDerWaalsContact C-N 3.28Å; M209-A211 PolarHBondContact O-N 3.19Å; M209-S212 PolarHBondContact O-N 3.34Å; M209-V213 VanDerWaalsContact O-CG2 3.31Å; M209-V213 WeakPolarHBondContact O-CG2 3.37Å; M209-V213 PolarHBondContact O-N 2.72Å
210	N	97.2	Very high	93.5	Very high	32 Å²	32	64.7 Å²	64.7	17%	0.171	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-33.4	-178.7	-68	-2.4	0	0	0	111.6	K31 E34 T206 V207 G208 R214	K31-N210 PolarHBondContact NZ-OD1 3.27Å; E34-N210 PolarHBondContact OE1-ND2 3.32Å; E34-N210 PolarHBondContact OE2-ND2 2.82Å; T206-N210 WeakPolarHBondContact O-CB 3.48Å; T206-N210 PolarHBondContact O-N 3.41Å; T206-N210 PolarHBondContact O-OD1 3.48Å; V207-N210 PolarHBondContact O-N 2.94Å; G208-N210 VanDerWaalsContact C-N 3.35Å; G208-N210 PolarHBondContact O-N 3.39Å; N210-R214 WeakPolarHBondContact O-CG 3.19Å; N210-R214 PolarHBondContact O-N 2.91Å; N210-R214 PolarHBondContact O-NH1 3.04Å
211	A	98	Very high	94.6	Very high	10 Å²	10	66.3 Å²	66.3	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-49.7	171.7	0	0	0	0	0	111.3	V207 G208 M209 V213 R214 T215 T264	V207-A211 WeakPolarHBondContact O-CB 3.36Å; V207-A211 PolarHBondContact O-N 2.74Å; G208-A211 WeakPolarHBondContact O-CB 3.35Å; G208-A211 PolarHBondContact O-N 2.92Å; M209-A211 VanDerWaalsContact C-N 3.28Å; M209-A211 PolarHBondContact O-N 3.19Å; A211-V213 VanDerWaalsContact C-N 3.3Å; A211-V213 PolarHBondContact O-N 3.49Å; A211-R214 PolarHBondContact O-N 2.98Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 3.48Å; A211-T264 HydrophobicContact CB-CG2 3.64Å
212	S	98.5	Very high	95.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-41.5	179.2	-56.7	0	0	0	0	112.5	W29 G208 M209 R214 T215 S216 T264	W29-S212 PolarHBondContact NE1-OG 2.83Å; G208-S212 PolarHBondContact O-N 2.87Å; G208-S212 PolarHBondContact O-OG 3.4Å; G208-S212 VanDerWaalsContact O-OG 3.11Å; M209-S212 PolarHBondContact O-N 3.34Å; S212-R214 PolarHBondContact O-N 2.78Å; S212-T215 PolarHBondContact O-N 3.47Å; S212-S216 WeakPolarHBondContact O-CB 3.25Å; S212-S216 PolarHBondContact O-N 2.95Å; S212-T264 WeakPolarHBondContact CA-OG1 3.46Å; S212-T264 VanDerWaalsContact CB-OG1 3.29Å; S212-T264 WeakPolarHBondContact CB-OG1 3.21Å; S212-T264 PolarHBondContact OG-OG1 2.66Å
213	V	97.6	Very high	96	Very high	59 Å²	59	55 Å²	55	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-36.6	175.6	173.5	0	0	0	0	112	L40 M209 A211 L219	L40-V213 HydrophobicContact CD1-CG2 3.71Å; M209-V213 VanDerWaalsContact O-CG2 3.31Å; M209-V213 WeakPolarHBondContact O-CG2 3.37Å; M209-V213 PolarHBondContact O-N 2.72Å; A211-V213 VanDerWaalsContact C-N 3.3Å; A211-V213 PolarHBondContact O-N 3.49Å; V213-L219 HydrophobicContact CG2-CD2 3.97Å
214	R	97.6	Very high	96.3	Very high	179 Å²	179	60.7 Å²	60.7	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-83.1	-34.2	-178.7	-67.4	-173	-51.8	-100.4	-0.2	113.3	N210 A211 S212	N210-R214 WeakPolarHBondContact O-CG 3.19Å; N210-R214 PolarHBondContact O-N 2.91Å; N210-R214 PolarHBondContact O-NH1 3.04Å; A211-R214 PolarHBondContact O-N 2.98Å; S212-R214 PolarHBondContact O-N 2.78Å
215	T	98.2	Very high	96.6	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-126.2	-14.5	-162.5	61.6	0	0	0	0	115.7	A211 S212 Y265	A211-T215 PolarHBondContact O-N 2.92Å; A211-T215 PolarHBondContact O-OG1 3.48Å; S212-T215 PolarHBondContact O-N 3.47Å; T215-Y265 WeakPolarHBondContact CG2-O 3.41Å; T215-Y265 PolarHBondContact OG1-N 3.32Å; T215-Y265 PolarHBondContact OG1-O 3.42Å; T215-Y265 VanDerWaalsContact OG1-O 3.12Å
216	S	98.4	Very high	96.9	Very high	4 Å²	4	61 Å²	61	3%	0.028	30%	0.299	C	S	.	.			trans	-88.3	122.8	177.5	174.8	0	0	0	0	111.5	S212 L218 L219 D263	S212-S216 WeakPolarHBondContact O-CB 3.25Å; S212-S216 PolarHBondContact O-N 2.95Å; S216-L218 PolarHBondContact OG-N 3.22Å; S216-L219 PolarHBondContact OG-N 2.8Å; S216-L219 VanDerWaalsContact OG-N 3.12Å; S216-D263 WeakPolarHBondContact CA-OD2 3.28Å; S216-D263 VanDerWaalsContact CB-OD2 3.28Å; S216-D263 WeakPolarHBondContact CB-OD2 3.3Å; S216-D263 PolarHBondContact OG-OD2 3.31Å
217	E	98	Very high	97.2	Very high	150 Å²	150	58.5 Å²	58.5	70%	0.701	28%	0.283	S	S	*	.	H	α-helix	trans	-75.8	-35	171.1	-62.7	-168.3	145.6	0	0	110.9	L219 K220 D263	E217-L219 VanDerWaalsContact C-N 3.26Å; E217-L219 PolarHBondContact O-N 3.13Å; E217-K220 PolarHBondContact O-N 2.69Å; E217-D263 PolarHBondContact N-OD2 2.79Å
218	L	98.5	Very high	97.4	Very high	79 Å²	79	56.2 Å²	56.2	41%	0.414	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-31.9	177.9	-64.8	-174.2	0	0	0	112.8	S216 K220 Y221 R222 A259 I260 D263	S216-L218 PolarHBondContact OG-N 3.22Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.1Å; L218-Y221 PolarHBondContact O-N 2.85Å; L218-R222 WeakPolarHBondContact O-CB 3.43Å; L218-R222 PolarHBondContact O-N 3.09Å; L218-A259 HydrophobicContact CD1-CB 4.42Å; L218-I260 HydrophobicContact CB-CG1 3.75Å; L218-D263 HydrophobicContact CB-CB 4.38Å; L218-D263 HydrophobicContact CD1-CB 3.7Å; L218-D263 HydrophobicContact CG-CB 3.99Å; L218-D263 PolarHBondContact N-OD2 2.71Å
219	L	98.3	Very high	97.5	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-37.2	178.4	-179.6	58.2	0	0	0	112.2	L40 V213 S216 E217 R222 V223 I260	L40-L219 HydrophobicContact CD1-CD2 4.03Å; L40-L219 HydrophobicContact CD1-CG 4.37Å; V213-L219 HydrophobicContact CG2-CD2 3.97Å; S216-L219 PolarHBondContact OG-N 2.8Å; S216-L219 VanDerWaalsContact OG-N 3.12Å; E217-L219 VanDerWaalsContact C-N 3.26Å; E217-L219 PolarHBondContact O-N 3.13Å; L219-R222 PolarHBondContact O-N 3.49Å; L219-V223 HydrophobicContact CD1-CG2 4.07Å; L219-V223 HydrophobicContact CG-CG2 4.45Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.25Å; L219-V223 PolarHBondContact O-N 3.39Å; L219-I260 HydrophobicContact CB-CD1 4.5Å; L219-I260 HydrophobicContact CB-CG2 4.07Å; L219-I260 HydrophobicContact CD1-CD1 4.26Å; L219-I260 HydrophobicContact CD1-CG2 4.47Å
220	K	95.9	Very high	97.5	Very high	148 Å²	148	62.3 Å²	62.3	64%	0.643	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-49.9	178	-62.7	176.9	-176.3	170.1	0	110.8	E217 L218 R222 V223 E224	E217-K220 PolarHBondContact O-N 2.69Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.1Å; K220-R222 VanDerWaalsContact C-N 3.31Å; K220-R222 PolarHBondContact O-N 2.97Å; K220-V223 PolarHBondContact O-N 2.88Å; K220-E224 PolarHBondContact O-N 3.35Å; K220-E224 VanDerWaalsContact O-N 3.11Å
221	Y	97.2	Very high	97.6	Very high	134 Å²	134	61.1 Å²	61.1	53%	0.525	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-41.2	176.9	-179.7	-99.3	0	0	0	112	L218 E224 I225 C226	L218-Y221 PolarHBondContact O-N 2.85Å; Y221-E224 PolarHBondContact O-N 2.82Å; Y221-I225 HydrophobicContact CD2-CB 4.25Å; Y221-I225 HydrophobicContact CD2-CG1 3.91Å; Y221-I225 HydrophobicContact CE1-CB 4.43Å; Y221-I225 HydrophobicContact CE1-CG2 4.49Å; Y221-I225 HydrophobicContact CE2-CB 3.91Å; Y221-I225 HydrophobicContact CE2-CG1 3.72Å; Y221-I225 HydrophobicContact CE2-CG2 4.05Å; Y221-I225 WeakPolarHBondContact O-CB 3.35Å; Y221-I225 PolarHBondContact O-N 3.41Å; Y221-C226 WeakPolarHBondContact CE1-SG 3.06Å
222	R	97.7	Very high	97.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.313	C	S	.	.	I	π-helix	trans	-57.8	-50.6	175.8	166.1	175.7	180	81.8	4.6	112.2	K27 L218 L219 K220 C226 V227 E253 Q256 I260	K27-R222 PolarHBondContact O-NH2 3Å; L218-R222 WeakPolarHBondContact O-CB 3.43Å; L218-R222 PolarHBondContact O-N 3.09Å; L219-R222 PolarHBondContact O-N 3.49Å; K220-R222 VanDerWaalsContact C-N 3.31Å; K220-R222 PolarHBondContact O-N 2.97Å; R222-C226 HydrophobicContact CG-CB 4.5Å; R222-C226 PolarHBondContact O-N 2.89Å; R222-C226 VanDerWaalsContact O-N 3.12Å; R222-V227 HydrophobicContact CG-CG2 3.77Å; R222-V227 WeakPolarHBondContact O-CG2 3.45Å; R222-V227 PolarHBondContact O-N 3.26Å; R222-E253 IonicContact CZ-OE1 3.61Å; R222-E253 IonicContact CZ-OE2 3.64Å; R222-E253 IonicContact NH1-OE1 2.75Å; R222-E253 PolarHBondContact NH1-OE1 3.46Å; R222-E253 IonicContact NH1-OE2 3.95Å; R222-E253 PolarHBondContact NH1-OE2 2.92Å; R222-E253 IonicContact NH2-OE1 3.4Å; R222-E253 PolarHBondContact NH2-OE1 3.03Å; R222-E253 IonicContact NH2-OE2 3.95Å; R222-E253 PolarHBondContact NH2-OE2 3.22Å; R222-Q256 VanDerWaalsContact CG-OE1 3.28Å; R222-I260 HydrophobicContact CB-CD1 3.76Å; R222-I260 HydrophobicContact CG-CD1 4.02Å
223	V	95.9	Very high	97.6	Very high	41 Å²	41	70.3 Å²	70.3	25%	0.248	33%	0.329	C	S	.	.	I	π-helix	trans	-62.5	-44.6	-176.6	170.1	0	0	0	0	110.6	L40 N41 L219 K220	L40-V223 HydrophobicContact CB-CG2 3.91Å; L40-V223 HydrophobicContact CD1-CG2 4.28Å; L40-V223 WeakPolarHBondContact O-CG1 3.21Å; N41-V223 HydrophobicContact CB-CG1 4.37Å; N41-V223 HydrophobicContact CB-CG2 4.27Å; L219-V223 HydrophobicContact CD1-CG2 4.07Å; L219-V223 HydrophobicContact CG-CG2 4.45Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.25Å; L219-V223 PolarHBondContact O-N 3.39Å; K220-V223 PolarHBondContact O-N 2.88Å
224	E	95	Very high	97.7	Very high	145 Å²	145	67.5 Å²	67.5	68%	0.678	31%	0.312	S	S	*	.	I	π-helix	trans	-75.7	-44.1	-175.5	-171.2	-179.5	175.5	0	0	113	K220 Y221	K220-E224 PolarHBondContact O-N 3.35Å; K220-E224 VanDerWaalsContact O-N 3.11Å; Y221-E224 PolarHBondContact O-N 2.82Å
225	I	96.7	Very high	97.8	Very high	81 Å²	81	61.6 Å²	61.6	42%	0.415	29%	0.292	S	S	.	.	I	π-helix	trans	-111.3	-49.1	-166	-56	-60.2	0	0	0	112.5	Y221	Y221-I225 HydrophobicContact CD2-CB 4.25Å; Y221-I225 HydrophobicContact CD2-CG1 3.91Å; Y221-I225 HydrophobicContact CE1-CB 4.43Å; Y221-I225 HydrophobicContact CE1-CG2 4.49Å; Y221-I225 HydrophobicContact CE2-CB 3.91Å; Y221-I225 HydrophobicContact CE2-CG1 3.72Å; Y221-I225 HydrophobicContact CE2-CG2 4.05Å; Y221-I225 WeakPolarHBondContact O-CB 3.35Å; Y221-I225 PolarHBondContact O-N 3.41Å
226	C	98.1	Very high	97.8	Very high	10 Å²	10	62.9 Å²	62.9	7%	0.068	30%	0.296	C	S	.	.	I	π-helix	trans	-75.7	-50.6	-169.7	-56.5	0	0	0	0	112.3	Y221 R222 K229 H230 Q256	Y221-C226 WeakPolarHBondContact CE1-SG 3.06Å; R222-C226 HydrophobicContact CG-CB 4.5Å; R222-C226 PolarHBondContact O-N 2.89Å; R222-C226 VanDerWaalsContact O-N 3.12Å; C226-K229 WeakPolarHBondContact O-CB 3.41Å; C226-K229 PolarHBondContact O-N 3.27Å; C226-H230 PolarHBondContact O-CD2 3.16Å; C226-H230 PolarHBondContact O-N 2.83Å; C226-Q256 VanDerWaalsContact CB-OE1 3.27Å; C226-Q256 PolarHBondContact SG-NE2 2.94Å
227	V	97.9	Very high	97.8	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-46.5	-173.1	174.9	0	0	0	0	112.3	V26 N41 D42 R222 K229 H230 I231	V26-V227 HydrophobicContact CG1-CG1 4.2Å; N41-V227 HydrophobicContact CB-CB 4.18Å; N41-V227 HydrophobicContact CB-CG1 3.92Å; N41-V227 HydrophobicContact CB-CG2 4.06Å; D42-V227 HydrophobicContact CB-CG1 4.26Å; D42-V227 WeakPolarHBondContact O-CG1 3.34Å; R222-V227 HydrophobicContact CG-CG2 3.77Å; R222-V227 WeakPolarHBondContact O-CG2 3.45Å; R222-V227 PolarHBondContact O-N 3.26Å; V227-K229 VanDerWaalsContact C-N 3.26Å; V227-K229 PolarHBondContact O-N 2.9Å; V227-H230 PolarHBondContact O-N 3.03Å; V227-H230 VanDerWaalsContact O-N 3.15Å; V227-I231 HydrophobicContact CG1-CD1 4.42Å; V227-I231 HydrophobicContact CG1-CG1 3.77Å; V227-I231 WeakPolarHBondContact O-CB 3.18Å; V227-I231 VanDerWaalsContact O-CG1 3.22Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 2.97Å
228	P	97	Very high	97.8	Very high	36 Å²	36	55.7 Å²	55.7	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-39.2	177.8	-28.5	37.4	0	0	0	113.7	K232	P228-K232 PolarHBondContact O-N 3.24Å
229	K	98.2	Very high	97.8	Very high	124 Å²	124	56.7 Å²	56.7	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-49.1	175.8	-178.1	-170.8	172.1	-174.3	0	110.9	C226 V227 I231 K232 Q233	C226-K229 WeakPolarHBondContact O-CB 3.41Å; C226-K229 PolarHBondContact O-N 3.27Å; V227-K229 VanDerWaalsContact C-N 3.26Å; V227-K229 PolarHBondContact O-N 2.9Å; K229-I231 PolarHBondContact O-N 3.08Å; K229-K232 PolarHBondContact O-N 3.21Å; K229-Q233 HydrophobicContact CG-CG 4.44Å; K229-Q233 WeakPolarHBondContact O-CG 3.16Å; K229-Q233 PolarHBondContact O-N 2.89Å
230	H	98.7	Very high	97.9	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.06	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-36.4	-176.8	-62	170.5	0	0	0	112.2	V26 C226 V227 K232 Q233 A234 V249 E253	V26-H230 HydrophobicContact CG2-CB 4.38Å; C226-H230 PolarHBondContact O-CD2 3.16Å; C226-H230 PolarHBondContact O-N 2.83Å; V227-H230 PolarHBondContact O-N 3.03Å; V227-H230 VanDerWaalsContact O-N 3.15Å; H230-K232 VanDerWaalsContact C-N 3.34Å; H230-K232 PolarHBondContact O-N 3.31Å; H230-Q233 PolarHBondContact CD2-OE1 3.32Å; H230-Q233 PolarHBondContact O-N 2.92Å; H230-A234 VanDerWaalsContact O-CB 3.25Å; H230-A234 WeakPolarHBondContact O-CB 3.43Å; H230-A234 PolarHBondContact O-N 3.11Å; H230-V249 HydrophobicContact CB-CG2 3.78Å; H230-E253 HydrophobicContact CB-CG 4.3Å; H230-E253 IonicContact CE1-OE1 2.75Å; H230-E253 IonicContact CG-OE1 3.5Å; H230-E253 IonicContact ND1-OE1 3.3Å; H230-E253 PolarHBondContact ND1-OE1 2.83Å
231	I	98.5	Very high	98	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-47.6	171.8	-69.9	-67.9	0	0	0	110.7	V26 D42 I44 V227 K229 K235	V26-I231 HydrophobicContact CB-CD1 4.03Å; V26-I231 HydrophobicContact CG1-CD1 3.71Å; V26-I231 HydrophobicContact CG1-CG1 4.2Å; V26-I231 HydrophobicContact CG2-CD1 4.24Å; D42-I231 HydrophobicContact CB-CD1 3.6Å; D42-I231 HydrophobicContact CB-CG1 3.71Å; I44-I231 HydrophobicContact CD1-CD1 3.7Å; I44-I231 HydrophobicContact CD1-CG2 4.34Å; I44-I231 HydrophobicContact CG1-CD1 3.62Å; V227-I231 HydrophobicContact CG1-CD1 4.42Å; V227-I231 HydrophobicContact CG1-CG1 3.77Å; V227-I231 WeakPolarHBondContact O-CB 3.18Å; V227-I231 VanDerWaalsContact O-CG1 3.22Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 2.97Å; K229-I231 PolarHBondContact O-N 3.08Å; I231-K235 HydrophobicContact CG2-CD 3.95Å; I231-K235 WeakPolarHBondContact O-CB 3.49Å; I231-K235 WeakPolarHBondContact O-CG 3.38Å; I231-K235 PolarHBondContact O-N 2.88Å
232	K	98.6	Very high	98.1	Very high	130 Å²	130	54.6 Å²	54.6	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-61.9	-51	177.4	-174	-176	-177.5	-60	0	110.9	P228 K229 H230 A234 K235 D236	P228-K232 PolarHBondContact O-N 3.24Å; K229-K232 PolarHBondContact O-N 3.21Å; H230-K232 VanDerWaalsContact C-N 3.34Å; H230-K232 PolarHBondContact O-N 3.31Å; K232-A234 PolarHBondContact O-N 2.64Å; K232-K235 PolarHBondContact O-N 3.17Å; K232-D236 IonicContact NZ-OD2 2.76Å; K232-D236 PolarHBondContact NZ-OD2 3.32Å; K232-D236 WeakPolarHBondContact O-CB 3.31Å; K232-D236 PolarHBondContact O-N 2.69Å
233	Q	98.8	Very high	98.1	Very high	74 Å²	74	54.6 Å²	54.6	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-47.3	-178.4	-70.8	176.1	-55.6	0	0	112.4	K229 H230 D236 A237 V249	K229-Q233 HydrophobicContact CG-CG 4.44Å; K229-Q233 WeakPolarHBondContact O-CG 3.16Å; K229-Q233 PolarHBondContact O-N 2.89Å; H230-Q233 PolarHBondContact CD2-OE1 3.32Å; H230-Q233 PolarHBondContact O-N 2.92Å; Q233-D236 PolarHBondContact O-N 2.86Å; Q233-A237 VanDerWaalsContact O-CB 3.3Å; Q233-A237 WeakPolarHBondContact O-CB 3.3Å; Q233-A237 PolarHBondContact O-N 3.12Å; Q233-V249 HydrophobicContact CB-CG2 4.26Å
234	A	98.8	Very high	98.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-43	178.8	0	0	0	0	0	111.7	V26 I44 H230 K232 A237 I238 V249	V26-A234 HydrophobicContact CG2-CB 3.91Å; I44-A234 HydrophobicContact CD1-CB 3.88Å; H230-A234 VanDerWaalsContact O-CB 3.25Å; H230-A234 WeakPolarHBondContact O-CB 3.43Å; H230-A234 PolarHBondContact O-N 3.11Å; K232-A234 PolarHBondContact O-N 2.64Å; A234-A237 PolarHBondContact O-N 2.91Å; A234-I238 WeakPolarHBondContact O-CB 3.45Å; A234-I238 VanDerWaalsContact O-CD1 3.3Å; A234-I238 WeakPolarHBondContact O-CD1 3.29Å; A234-I238 WeakPolarHBondContact O-CG1 3.08Å; A234-I238 PolarHBondContact O-N 2.76Å; A234-V249 HydrophobicContact CB-CG1 3.98Å
235	K	98.7	Very high	98.4	Very high	55 Å²	55	49.7 Å²	49.7	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.2	-74.3	178.5	71.1	160.4	0	112	I44 H159 I180 I231 K232 A237 I238 I239	I44-K235 HydrophobicContact CD1-CD 4.37Å; I44-K235 HydrophobicContact CD1-CG 3.67Å; H159-K235 PolarHBondContact ND1-NZ 3.39Å; I180-K235 HydrophobicContact CD1-CG 3.92Å; I180-K235 HydrophobicContact CG1-CG 4.31Å; I180-K235 HydrophobicContact CG2-CG 4.46Å; I231-K235 HydrophobicContact CG2-CD 3.95Å; I231-K235 WeakPolarHBondContact O-CB 3.49Å; I231-K235 WeakPolarHBondContact O-CG 3.38Å; I231-K235 PolarHBondContact O-N 2.88Å; K232-K235 PolarHBondContact O-N 3.17Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 2.54Å; K235-I238 PolarHBondContact O-N 3.38Å; K235-I239 WeakPolarHBondContact O-CB 3.46Å; K235-I239 VanDerWaalsContact O-CG1 3.28Å; K235-I239 WeakPolarHBondContact O-CG1 3.37Å; K235-I239 PolarHBondContact O-N 2.66Å
236	D	98.8	Very high	98.5	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-43.7	179.1	-66.5	-13.7	0	0	0	110.5	K232 Q233 I239 G240	K232-D236 IonicContact NZ-OD2 2.76Å; K232-D236 PolarHBondContact NZ-OD2 3.32Å; K232-D236 WeakPolarHBondContact O-CB 3.31Å; K232-D236 PolarHBondContact O-N 2.69Å; Q233-D236 PolarHBondContact O-N 2.86Å; D236-I239 PolarHBondContact O-N 2.94Å; D236-G240 PolarHBondContact O-N 3.45Å
237	A	98.8	Very high	98.5	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-41	177.8	0	0	0	0	0	113	Q233 A234 K235 R241 D242 A245 L246	Q233-A237 VanDerWaalsContact O-CB 3.3Å; Q233-A237 WeakPolarHBondContact O-CB 3.3Å; Q233-A237 PolarHBondContact O-N 3.12Å; A234-A237 PolarHBondContact O-N 2.91Å; K235-A237 VanDerWaalsContact C-N 3.32Å; K235-A237 PolarHBondContact O-N 2.54Å; A237-R241 CarbonylContact O-C 3.56Å; A237-R241 WeakPolarHBondContact O-CA 3.43Å; A237-R241 PolarHBondContact O-N 3.44Å; A237-D242 PolarHBondContact O-N 2.95Å; A237-A245 HydrophobicContact CB-CB 3.81Å; A237-L246 HydrophobicContact CB-CB 3.9Å; A237-L246 HydrophobicContact CB-CD1 4.48Å
238	I	98.7	Very high	98.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-50.8	175.9	-69.9	160.4	0	0	0	110.4	L25 I44 F157 I180 A181 H185 A234 K235 G240 R241 L246	L25-I238 HydrophobicContact CD1-CD1 4.15Å; I44-I238 HydrophobicContact CG2-CD1 3.96Å; F157-I238 HydrophobicContact CB-CD1 4.33Å; F157-I238 HydrophobicContact CB-CG2 4.06Å; F157-I238 HydrophobicContact CD1-CB 4.25Å; F157-I238 HydrophobicContact CD1-CD1 3.48Å; F157-I238 VanDerWaalsContact CD1-CD1 3.48Å; F157-I238 HydrophobicContact CD1-CG1 3.6Å; F157-I238 HydrophobicContact CD1-CG2 3.59Å; F157-I238 HydrophobicContact CD2-CG2 3.83Å; F157-I238 HydrophobicContact CE1-CB 4.39Å; F157-I238 HydrophobicContact CE1-CD1 4.1Å; F157-I238 HydrophobicContact CE1-CG1 3.72Å; F157-I238 HydrophobicContact CE1-CG2 3.85Å; F157-I238 HydrophobicContact CE2-CG2 4.05Å; F157-I238 HydrophobicContact CG-CD1 4.21Å; F157-I238 HydrophobicContact CG-CG1 4.4Å; F157-I238 HydrophobicContact CG-CG2 3.57Å; F157-I238 HydrophobicContact CZ-CG2 4.05Å; I180-I238 HydrophobicContact CD1-CD1 4.26Å; I180-I238 HydrophobicContact CG2-CB 4.47Å; I180-I238 HydrophobicContact CG2-CG2 3.98Å; A181-I238 HydrophobicContact CB-CG2 4.06Å; H185-I238 PolarHBondContact CD2-O 3.46Å; H185-I238 PolarHBondContact NE2-O 3.39Å; A234-I238 WeakPolarHBondContact O-CB 3.45Å; A234-I238 VanDerWaalsContact O-CD1 3.3Å; A234-I238 WeakPolarHBondContact O-CD1 3.29Å; A234-I238 WeakPolarHBondContact O-CG1 3.08Å; A234-I238 PolarHBondContact O-N 2.76Å; K235-I238 PolarHBondContact O-N 3.38Å; I238-G240 VanDerWaalsContact C-N 3.32Å; I238-G240 PolarHBondContact O-N 3.45Å; I238-R241 PolarHBondContact O-N 2.82Å; I238-L246 HydrophobicContact CG1-CD1 4.09Å
239	I	98.7	Very high	98.7	Very high	99 Å²	99	48.3 Å²	48.3	51%	0.508	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-42.8	-178.5	-68.1	167.4	0	0	0	110.3	I180 H185 K235 D236 R241	I180-I239 HydrophobicContact CG2-CD1 4.48Å; I180-I239 HydrophobicContact CG2-CG1 4.19Å; H185-I239 PolarHBondContact NE2-O 3.02Å; K235-I239 WeakPolarHBondContact O-CB 3.46Å; K235-I239 VanDerWaalsContact O-CG1 3.28Å; K235-I239 WeakPolarHBondContact O-CG1 3.37Å; K235-I239 PolarHBondContact O-N 2.66Å; D236-I239 PolarHBondContact O-N 2.94Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.33Å
240	G	98.5	Very high	98.7	Very high	57 Å²	57	42.5 Å²	42.5	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-79.7	-4.1	179.4	0	0	0	0	0	115.6	D236 I238 D242	D236-G240 PolarHBondContact O-N 3.45Å; I238-G240 VanDerWaalsContact C-N 3.32Å; I238-G240 PolarHBondContact O-N 3.45Å; G240-D242 PolarHBondContact O-N 3.35Å
241	R	98.5	Very high	98.7	Very high	109 Å²	109	42.3 Å²	42.3	41%	0.411	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	36.2	-170.4	-56.9	-176.1	-171.4	178.2	2.2	113.2	H185 W186 A237 I238 I239 F243	H185-R241 PolarHBondContact O-NE 2.94Å; H185-R241 PolarHBondContact O-NH2 3.35Å; W186-R241 HydrophobicContact CB-CG 4.41Å; W186-R241 HydrophobicContact CD2-CB 3.9Å; W186-R241 HydrophobicContact CD2-CG 3.91Å; W186-R241 HydrophobicContact CE3-CB 4.3Å; W186-R241 HydrophobicContact CE3-CG 4.33Å; W186-R241 HydrophobicContact CG-CB 4.33Å; W186-R241 HydrophobicContact CG-CG 3.93Å; W186-R241 HydrophobicContact CH2-CB 4.37Å; W186-R241 HydrophobicContact CZ2-CB 3.96Å; W186-R241 WeakPolarHBondContact CZ2-O 3.32Å; A237-R241 CarbonylContact O-C 3.56Å; A237-R241 WeakPolarHBondContact O-CA 3.43Å; A237-R241 PolarHBondContact O-N 3.44Å; I238-R241 PolarHBondContact O-N 2.82Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.33Å; R241-F243 PolarHBondContact O-N 3.02Å
242	D	98.6	Very high	98.7	Very high	78 Å²	78	48.9 Å²	48.9	42%	0.417	25%	0.253	S	S	.	.			trans	-87.3	95.3	178.8	-174	-18.2	0	0	0	109.8	A237 G240 A244 A245 L246	A237-D242 PolarHBondContact O-N 2.95Å; G240-D242 PolarHBondContact O-N 3.35Å; D242-A244 VanDerWaalsContact C-N 3.32Å; D242-A244 PolarHBondContact O-N 3.18Å; D242-A244 PolarHBondContact OD1-N 2.88Å; D242-A244 VanDerWaalsContact OD1-N 3.08Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 VanDerWaalsContact CG-CB 3.46Å; D242-A245 PolarHBondContact OD1-N 3.47Å; D242-A245 WeakPolarHBondContact OD2-CB 3.48Å; D242-L246 WeakPolarHBondContact O-CB 3.48Å; D242-L246 PolarHBondContact O-N 3.36Å
243	F	98.7	Very high	98.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-38.1	-178.7	-177.2	-93.8	0	0	0	112.3	W186 L189 R241 L246 A247 M292 R293 I307 R309	W186-F243 HydrophobicContact CH2-CB 4.2Å; W186-F243 HydrophobicContact CZ2-CB 3.97Å; L189-F243 HydrophobicContact CD1-CD2 3.81Å; L189-F243 HydrophobicContact CD1-CE2 4.07Å; R241-F243 PolarHBondContact O-N 3.02Å; F243-L246 PolarHBondContact O-N 2.91Å; F243-A247 HydrophobicContact CD1-CB 4.35Å; F243-A247 HydrophobicContact CE1-CB 3.94Å; F243-A247 HydrophobicContact CZ-CB 4.24Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.17Å; F243-M292 HydrophobicContact CD1-CB 4.48Å; F243-M292 VanDerWaalsContact CD1-O 3.22Å; F243-M292 WeakPolarHBondContact CD1-O 3.39Å; F243-M292 HydrophobicContact CE1-CB 4.39Å; F243-M292 WeakPolarHBondContact CE1-O 3.46Å; F243-R293 VanDerWaalsContact CE1-O 3.3Å; F243-R293 WeakPolarHBondContact CE1-O 3.33Å; F243-R293 VanDerWaalsContact CZ-O 3.22Å; F243-R293 WeakPolarHBondContact CZ-O 3.42Å; F243-I307 HydrophobicContact CE2-CG2 4.17Å; F243-I307 WeakPolarHBondContact CZ-O 3.47Å; F243-R309 VanDerWaalsContact CB-NH2 3.34Å
244	A	98.6	Very high	98.7	Very high	46 Å²	46	39.2 Å²	39.2	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-67.4	-44.4	-176.4	0	0	0	0	0	110.7	D242 A247 E248 M292	D242-A244 VanDerWaalsContact C-N 3.32Å; D242-A244 PolarHBondContact O-N 3.18Å; D242-A244 PolarHBondContact OD1-N 2.88Å; D242-A244 VanDerWaalsContact OD1-N 3.08Å; A244-A247 PolarHBondContact O-N 2.91Å; A244-E248 PolarHBondContact O-N 3.45Å; A244-E248 VanDerWaalsContact O-N 3.12Å; A244-M292 HydrophobicContact CB-CB 4.11Å; A244-M292 HydrophobicContact CB-CG 4.44Å
245	A	98.8	Very high	98.7	Very high	36 Å²	36	41.9 Å²	41.9	30%	0.298	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-40.6	174.8	0	0	0	0	0	112.2	A237 D242 V249	A237-A245 HydrophobicContact CB-CB 3.81Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 VanDerWaalsContact CG-CB 3.46Å; D242-A245 PolarHBondContact OD1-N 3.47Å; D242-A245 WeakPolarHBondContact OD2-CB 3.48Å; A245-V249 WeakPolarHBondContact O-CG1 3.29Å; A245-V249 PolarHBondContact O-N 3.34Å
246	L	98.9	Very high	98.7	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-44.4	176.9	-175.1	62.4	0	0	0	111.6	L25 W186 L189 A237 I238 D242 F243 E248 V249 V250	L25-L246 HydrophobicContact CD1-CD1 4.31Å; W186-L246 HydrophobicContact CH2-CD2 4.13Å; W186-L246 HydrophobicContact CZ3-CD2 3.72Å; L189-L246 HydrophobicContact CD2-CD2 4.24Å; A237-L246 HydrophobicContact CB-CB 3.9Å; A237-L246 HydrophobicContact CB-CD1 4.48Å; I238-L246 HydrophobicContact CG1-CD1 4.09Å; D242-L246 WeakPolarHBondContact O-CB 3.48Å; D242-L246 PolarHBondContact O-N 3.36Å; F243-L246 PolarHBondContact O-N 2.91Å; L246-E248 PolarHBondContact O-N 3.33Å; L246-V249 HydrophobicContact CD1-CG1 4.27Å; L246-V249 VanDerWaalsContact O-CG1 3.26Å; L246-V249 WeakPolarHBondContact O-CG1 3.37Å; L246-V249 PolarHBondContact O-N 3.28Å; L246-V250 HydrophobicContact CD1-CG2 3.9Å; L246-V250 HydrophobicContact CG-CG2 4.14Å; L246-V250 WeakPolarHBondContact O-CB 3.48Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.43Å
247	A	98.8	Very high	98.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-47.8	179.9	0	0	0	0	0	111.4	F243 A244 V250 M251 M292 A295	F243-A247 HydrophobicContact CD1-CB 4.35Å; F243-A247 HydrophobicContact CE1-CB 3.94Å; F243-A247 HydrophobicContact CZ-CB 4.24Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.17Å; A244-A247 PolarHBondContact O-N 2.91Å; A247-V250 PolarHBondContact O-N 3.17Å; A247-M251 HydrophobicContact CB-CE 4.42Å; A247-M251 WeakPolarHBondContact O-CE 3.5Å; A247-M251 WeakPolarHBondContact O-CG 3.39Å; A247-M251 PolarHBondContact O-N 2.88Å; A247-M292 HydrophobicContact CB-CB 4.12Å; A247-M292 HydrophobicContact CB-CG 4.39Å; A247-A295 HydrophobicContact CB-CB 3.62Å
248	E	98.7	Very high	98.6	Very high	94 Å²	94	38.2 Å²	38.2	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-49.4	179.7	-174	-179.1	178.2	0	0	111.7	A244 L246 V250 R252	A244-E248 PolarHBondContact O-N 3.45Å; A244-E248 VanDerWaalsContact O-N 3.12Å; L246-E248 PolarHBondContact O-N 3.33Å; E248-V250 PolarHBondContact O-N 2.95Å; E248-R252 HydrophobicContact CG-CG 4.46Å; E248-R252 WeakPolarHBondContact O-CB 3.46Å; E248-R252 VanDerWaalsContact O-CG 3.29Å; E248-R252 WeakPolarHBondContact O-CG 3.28Å; E248-R252 PolarHBondContact O-N 2.91Å; E248-R252 IonicContact OE1-CZ 3.69Å; E248-R252 VanDerWaalsContact OE1-CZ 3.29Å; E248-R252 IonicContact OE1-NE 2.82Å; E248-R252 PolarHBondContact OE1-NE 3.48Å; E248-R252 IonicContact OE1-NH2 3.19Å; E248-R252 PolarHBondContact OE1-NH2 3.23Å
249	V	98.8	Very high	98.6	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-39.1	-177.7	67.8	0	0	0	0	111.7	H230 Q233 A234 A245 L246 E253	H230-V249 HydrophobicContact CB-CG2 3.78Å; Q233-V249 HydrophobicContact CB-CG2 4.26Å; A234-V249 HydrophobicContact CB-CG1 3.98Å; A245-V249 WeakPolarHBondContact O-CG1 3.29Å; A245-V249 PolarHBondContact O-N 3.34Å; L246-V249 HydrophobicContact CD1-CG1 4.27Å; L246-V249 VanDerWaalsContact O-CG1 3.26Å; L246-V249 WeakPolarHBondContact O-CG1 3.37Å; L246-V249 PolarHBondContact O-N 3.28Å; V249-E253 HydrophobicContact CG2-CG 4.42Å; V249-E253 VanDerWaalsContact O-CB 3.25Å; V249-E253 WeakPolarHBondContact O-CB 3.46Å; V249-E253 VanDerWaalsContact O-CG 3.3Å; V249-E253 WeakPolarHBondContact O-CG 3.44Å; V249-E253 PolarHBondContact O-N 3.2Å
250	V	98.8	Very high	98.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-44.5	-179.8	170.2	0	0	0	0	111.9	L25 L246 A247 E248 E253 S254 I307	L25-V250 HydrophobicContact CB-CG2 4Å; L25-V250 HydrophobicContact CD2-CG1 4.48Å; L25-V250 HydrophobicContact CD2-CG2 3.87Å; L25-V250 HydrophobicContact CG-CG2 4.42Å; L246-V250 HydrophobicContact CD1-CG2 3.9Å; L246-V250 HydrophobicContact CG-CG2 4.14Å; L246-V250 WeakPolarHBondContact O-CB 3.48Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.43Å; A247-V250 PolarHBondContact O-N 3.17Å; E248-V250 PolarHBondContact O-N 2.95Å; V250-E253 PolarHBondContact O-N 2.83Å; V250-S254 PolarHBondContact O-N 3.44Å; V250-I307 HydrophobicContact CG1-CD1 3.97Å; V250-I307 HydrophobicContact CG2-CD1 4.29Å
251	M	98.8	Very high	98.6	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-44.8	177.4	-71.7	-173.6	-67.2	0	0	110.9	A247 E253 S254 D255 V282 M292 A295 Y296	A247-M251 HydrophobicContact CB-CE 4.42Å; A247-M251 WeakPolarHBondContact O-CE 3.5Å; A247-M251 WeakPolarHBondContact O-CG 3.39Å; A247-M251 PolarHBondContact O-N 2.88Å; M251-E253 VanDerWaalsContact C-N 3.3Å; M251-E253 PolarHBondContact O-N 3.19Å; M251-S254 WeakPolarHBondContact O-CB 3.34Å; M251-S254 PolarHBondContact O-N 2.78Å; M251-D255 PolarHBondContact O-N 3.46Å; M251-V282 HydrophobicContact SD-CG1 3.79Å; M251-M292 HydrophobicContact CE-SD 3.81Å; M251-A295 HydrophobicContact CG-CB 4.05Å; M251-A295 HydrophobicContact SD-CB 4.33Å; M251-Y296 HydrophobicContact CB-CE1 4.41Å; M251-Y296 HydrophobicContact CB-CE2 4.26Å; M251-Y296 HydrophobicContact CG-CD1 4Å; M251-Y296 HydrophobicContact CG-CD2 4.32Å; M251-Y296 HydrophobicContact CG-CE1 3.97Å; M251-Y296 HydrophobicContact CG-CE2 4.28Å; M251-Y296 HydrophobicContact CG-CG 4.18Å; M251-Y296 WeakPolarHBondContact CG-O 2.96Å; M251-Y296 HydrophobicContact SD-CD1 3.78Å; M251-Y296 HydrophobicContact SD-CE1 3.66Å
252	R	98.6	Very high	98.6	Very high	144 Å²	144	32.6 Å²	32.6	54%	0.543	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-37.6	175.6	-73.2	-178.3	-178.5	-82.8	2.6	112.8	E248 D255 Q256	E248-R252 HydrophobicContact CG-CG 4.46Å; E248-R252 WeakPolarHBondContact O-CB 3.46Å; E248-R252 VanDerWaalsContact O-CG 3.29Å; E248-R252 WeakPolarHBondContact O-CG 3.28Å; E248-R252 PolarHBondContact O-N 2.91Å; E248-R252 IonicContact OE1-CZ 3.69Å; E248-R252 VanDerWaalsContact OE1-CZ 3.29Å; E248-R252 IonicContact OE1-NE 2.82Å; E248-R252 PolarHBondContact OE1-NE 3.48Å; E248-R252 IonicContact OE1-NH2 3.19Å; E248-R252 PolarHBondContact OE1-NH2 3.23Å; R252-D255 PolarHBondContact O-N 3.38Å; R252-Q256 WeakPolarHBondContact O-CB 3.22Å; R252-Q256 PolarHBondContact O-N 3.31Å
253	E	98.7	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-42.5	175.7	-88.6	-71.3	109.4	0	0	112.5	L25 V26 K27 R222 H230 V249 V250 M251 L257	L25-E253 WeakPolarHBondContact O-CB 3.49Å; V26-E253 WeakPolarHBondContact CA-OE2 3.38Å; V26-E253 HydrophobicContact CB-CG 4.49Å; V26-E253 VanDerWaalsContact CG1-OE2 3.31Å; V26-E253 WeakPolarHBondContact CG1-OE2 2.93Å; V26-E253 HydrophobicContact CG2-CG 4.28Å; K27-E253 HydrophobicContact CG-CB 4.32Å; K27-E253 PolarHBondContact N-OE2 3.15Å; R222-E253 IonicContact CZ-OE1 3.61Å; R222-E253 IonicContact CZ-OE2 3.64Å; R222-E253 IonicContact NH1-OE1 2.75Å; R222-E253 PolarHBondContact NH1-OE1 3.46Å; R222-E253 IonicContact NH1-OE2 3.95Å; R222-E253 PolarHBondContact NH1-OE2 2.92Å; R222-E253 IonicContact NH2-OE1 3.4Å; R222-E253 PolarHBondContact NH2-OE1 3.03Å; R222-E253 IonicContact NH2-OE2 3.95Å; R222-E253 PolarHBondContact NH2-OE2 3.22Å; H230-E253 HydrophobicContact CB-CG 4.3Å; H230-E253 IonicContact CE1-OE1 2.75Å; H230-E253 IonicContact CG-OE1 3.5Å; H230-E253 IonicContact ND1-OE1 3.3Å; H230-E253 PolarHBondContact ND1-OE1 2.83Å; V249-E253 HydrophobicContact CG2-CG 4.42Å; V249-E253 VanDerWaalsContact O-CB 3.25Å; V249-E253 WeakPolarHBondContact O-CB 3.46Å; V249-E253 VanDerWaalsContact O-CG 3.3Å; V249-E253 WeakPolarHBondContact O-CG 3.44Å; V249-E253 PolarHBondContact O-N 3.2Å; V250-E253 PolarHBondContact O-N 2.83Å; M251-E253 VanDerWaalsContact C-N 3.3Å; M251-E253 PolarHBondContact O-N 3.19Å; E253-L257 WeakPolarHBondContact O-CB 3.35Å; E253-L257 PolarHBondContact O-N 3.44Å; E253-L257 VanDerWaalsContact O-N 3.1Å
254	S	98.6	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-53.2	172	-174.5	0	0	0	0	111	V250 M251 Q256 L257 H258 F298	V250-S254 PolarHBondContact O-N 3.44Å; M251-S254 WeakPolarHBondContact O-CB 3.34Å; M251-S254 PolarHBondContact O-N 2.78Å; S254-Q256 PolarHBondContact O-N 2.86Å; S254-L257 WeakPolarHBondContact O-CB 3.47Å; S254-L257 PolarHBondContact O-N 2.91Å; S254-H258 PolarHBondContact O-CD2 2.84Å; S254-H258 PolarHBondContact O-N 2.94Å; S254-F298 PolarHBondContact OG-N 3.11Å
255	D	98.7	Very high	98.6	Very high	57 Å²	57	37.9 Å²	37.9	31%	0.305	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-42.7	-177.7	-64.2	-18.7	0	0	0	111.9	M251 R252 L257 H258 A259 M279 Y296	M251-D255 PolarHBondContact O-N 3.46Å; R252-D255 PolarHBondContact O-N 3.38Å; D255-L257 PolarHBondContact O-N 3.46Å; D255-H258 PolarHBondContact O-N 3.14Å; D255-A259 PolarHBondContact O-N 2.97Å; D255-M279 VanDerWaalsContact OD1-CE 3.27Å; D255-M279 WeakPolarHBondContact OD1-CE 3.43Å; D255-Y296 VanDerWaalsContact CG-OH 3.26Å; D255-Y296 WeakPolarHBondContact OD1-CE2 3.17Å; D255-Y296 PolarHBondContact OD1-OH 2.78Å; D255-Y296 PolarHBondContact OD2-OH 3.39Å
256	Q	98.4	Very high	98.5	Very high	46 Å²	46	40.6 Å²	40.6	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-37.6	-180	-173	176	94.2	0	0	112.3	R222 C226 R252 S254 H258 A259 I260	R222-Q256 VanDerWaalsContact CG-OE1 3.28Å; C226-Q256 VanDerWaalsContact CB-OE1 3.27Å; C226-Q256 PolarHBondContact SG-NE2 2.94Å; R252-Q256 WeakPolarHBondContact O-CB 3.22Å; R252-Q256 PolarHBondContact O-N 3.31Å; S254-Q256 PolarHBondContact O-N 2.86Å; Q256-H258 VanDerWaalsContact C-N 3.31Å; Q256-H258 PolarHBondContact O-N 2.93Å; Q256-A259 PolarHBondContact O-N 3.28Å; Q256-I260 HydrophobicContact CG-CD1 4.35Å; Q256-I260 WeakPolarHBondContact O-CG1 3.42Å; Q256-I260 PolarHBondContact O-N 3.07Å
257	L	98.5	Very high	98.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-46.5	172.2	169.4	64.2	0	0	0	110.9	K27 W29 E253 S254 D255 I260 C261	K27-L257 HydrophobicContact CB-CB 4.42Å; K27-L257 HydrophobicContact CB-CD2 4.23Å; K27-L257 HydrophobicContact CD-CD2 4.2Å; K27-L257 HydrophobicContact CG-CB 4.01Å; K27-L257 HydrophobicContact CG-CD2 3.96Å; W29-L257 HydrophobicContact CB-CD1 3.73Å; W29-L257 HydrophobicContact CD2-CD1 3.44Å; W29-L257 VanDerWaalsContact CD2-CD1 3.44Å; W29-L257 HydrophobicContact CE3-CD1 3.78Å; W29-L257 HydrophobicContact CG-CD1 3.43Å; W29-L257 VanDerWaalsContact CG-CD1 3.43Å; E253-L257 WeakPolarHBondContact O-CB 3.35Å; E253-L257 PolarHBondContact O-N 3.44Å; E253-L257 VanDerWaalsContact O-N 3.1Å; S254-L257 WeakPolarHBondContact O-CB 3.47Å; S254-L257 PolarHBondContact O-N 2.91Å; D255-L257 PolarHBondContact O-N 3.46Å; L257-I260 WeakPolarHBondContact O-CB 3.46Å; L257-I260 PolarHBondContact O-N 2.86Å; L257-C261 PolarHBondContact O-N 3.14Å; L257-C261 PolarHBondContact O-SG 2.88Å
258	H	98.3	Very high	98.4	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-29.1	-178.8	-70.3	-67.9	0	0	0	113.1	S254 D255 Q256 I260 C261 L262 L271 F298 D299	S254-H258 PolarHBondContact O-CD2 2.84Å; S254-H258 PolarHBondContact O-N 2.94Å; D255-H258 PolarHBondContact O-N 3.14Å; Q256-H258 VanDerWaalsContact C-N 3.31Å; Q256-H258 PolarHBondContact O-N 2.93Å; H258-I260 VanDerWaalsContact C-N 3.35Å; H258-C261 WeakPolarHBondContact O-CB 3.26Å; H258-C261 PolarHBondContact O-N 3.18Å; H258-L262 WeakPolarHBondContact O-CG 3.2Å; H258-L262 PolarHBondContact O-N 3.12Å; H258-L271 HydrophobicContact CB-CD1 3.96Å; H258-L271 HydrophobicContact CB-CG 4.44Å; H258-L271 VanDerWaalsContact CE1-CD2 3.49Å; H258-L271 WeakPolarHBondContact CE1-CD2 3.4Å; H258-L271 WeakPolarHBondContact NE2-CD2 3.23Å; H258-F298 VanDerWaalsContact NE2-CB 3.28Å; H258-F298 WeakPolarHBondContact NE2-CB 3.26Å; H258-D299 PolarHBondContact CE1-O 2.66Å; H258-D299 PolarHBondContact NE2-O 2.72Å
259	A	98.5	Very high	98.2	Very high	42 Å²	42	46.4 Å²	46.4	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-42.4	168	0	0	0	0	0	111.7	L218 D255 Q256 C261 L262 D263	L218-A259 HydrophobicContact CD1-CB 4.42Å; D255-A259 PolarHBondContact O-N 2.97Å; Q256-A259 PolarHBondContact O-N 3.28Å; A259-C261 VanDerWaalsContact C-N 3.34Å; A259-L262 PolarHBondContact O-N 2.81Å; A259-D263 WeakPolarHBondContact O-CB 3.43Å; A259-D263 PolarHBondContact O-N 2.81Å
260	I	98.7	Very high	98	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-38.7	173.7	-73.8	162.7	0	0	0	111.7	L218 L219 R222 Q256 L257 H258 L262 D263 T264	L218-I260 HydrophobicContact CB-CG1 3.75Å; L219-I260 HydrophobicContact CB-CD1 4.5Å; L219-I260 HydrophobicContact CB-CG2 4.07Å; L219-I260 HydrophobicContact CD1-CD1 4.26Å; L219-I260 HydrophobicContact CD1-CG2 4.47Å; R222-I260 HydrophobicContact CB-CD1 3.76Å; R222-I260 HydrophobicContact CG-CD1 4.02Å; Q256-I260 HydrophobicContact CG-CD1 4.35Å; Q256-I260 WeakPolarHBondContact O-CG1 3.42Å; Q256-I260 PolarHBondContact O-N 3.07Å; L257-I260 WeakPolarHBondContact O-CB 3.46Å; L257-I260 PolarHBondContact O-N 2.86Å; H258-I260 VanDerWaalsContact C-N 3.35Å; I260-L262 VanDerWaalsContact C-N 3.29Å; I260-L262 PolarHBondContact O-N 3.38Å; I260-D263 PolarHBondContact O-N 2.77Å; I260-T264 WeakPolarHBondContact O-CB 3.47Å; I260-T264 PolarHBondContact O-N 3.21Å; I260-T264 PolarHBondContact O-OG1 3.39Å
261	C	98.3	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-39.6	175.2	-69	0	0	0	0	111.4	L257 H258 A259 T264 L268 Y270	L257-C261 PolarHBondContact O-N 3.14Å; L257-C261 PolarHBondContact O-SG 2.88Å; H258-C261 WeakPolarHBondContact O-CB 3.26Å; H258-C261 PolarHBondContact O-N 3.18Å; A259-C261 VanDerWaalsContact C-N 3.34Å; C261-T264 WeakPolarHBondContact O-CB 3.44Å; C261-L268 CarbonylContact C-O 3.59Å; C261-L268 HydrophobicContact CB-CB 3.89Å; C261-L268 WeakPolarHBondContact CB-O 3.22Å; C261-L268 WeakPolarHBondContact O-CB 3.24Å; C261-L268 PolarHBondContact O-N 3.26Å; C261-Y270 HydrophobicContact CB-CD2 4.3Å
262	L	98.1	Very high	97.6	Very high	102 Å²	102	52 Å²	52	53%	0.534	27%	0.265	S	S	.	.	H	α-helix	trans	-71.3	-36.1	175.1	-70.9	171.3	0	0	0	113.4	H258 A259 I260 L269	H258-L262 WeakPolarHBondContact O-CG 3.2Å; H258-L262 PolarHBondContact O-N 3.12Å; A259-L262 PolarHBondContact O-N 2.81Å; I260-L262 VanDerWaalsContact C-N 3.29Å; I260-L262 PolarHBondContact O-N 3.38Å; L262-L269 HydrophobicContact CD2-CD2 3.42Å; L262-L269 VanDerWaalsContact CD2-CD2 3.42Å
263	D	98.5	Very high	97.5	Very high	57 Å²	57	48.7 Å²	48.7	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-73.5	-26.6	176.7	178.5	67.3	0	0	0	113	S216 E217 L218 A259 I260	S216-D263 WeakPolarHBondContact CA-OD2 3.28Å; S216-D263 VanDerWaalsContact CB-OD2 3.28Å; S216-D263 WeakPolarHBondContact CB-OD2 3.3Å; S216-D263 PolarHBondContact OG-OD2 3.31Å; E217-D263 PolarHBondContact N-OD2 2.79Å; L218-D263 HydrophobicContact CB-CB 4.38Å; L218-D263 HydrophobicContact CD1-CB 3.7Å; L218-D263 HydrophobicContact CG-CB 3.99Å; L218-D263 PolarHBondContact N-OD2 2.71Å; A259-D263 WeakPolarHBondContact O-CB 3.43Å; A259-D263 PolarHBondContact O-N 2.81Å; I260-D263 PolarHBondContact O-N 2.77Å
264	T	98.6	Very high	97.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.258	C	S	.	.	S	Bend	trans	-56.7	140.2	172	-60.6	0	0	0	0	110	A211 S212 I260 C261 P266 P267 L268	A211-T264 HydrophobicContact CB-CG2 3.64Å; S212-T264 WeakPolarHBondContact CA-OG1 3.46Å; S212-T264 VanDerWaalsContact CB-OG1 3.29Å; S212-T264 WeakPolarHBondContact CB-OG1 3.21Å; S212-T264 PolarHBondContact OG-OG1 2.66Å; I260-T264 WeakPolarHBondContact O-CB 3.47Å; I260-T264 PolarHBondContact O-N 3.21Å; I260-T264 PolarHBondContact O-OG1 3.39Å; C261-T264 WeakPolarHBondContact O-CB 3.44Å; T264-P266 CarbonylContact C-O 3.6Å; T264-P266 CarbonylContact O-C 3.57Å; T264-P267 WeakPolarHBondContact O-CA 3.45Å; T264-P267 VanDerWaalsContact O-N 3.12Å; T264-L268 HydrophobicContact CG2-CD1 3.9Å; T264-L268 HydrophobicContact CG2-CG 4.02Å
265	Y	98.2	Very high	97.2	Very high	178 Å²	178	49.2 Å²	49.2	70%	0.698	26%	0.258	S	S	*	.	S	Bend	trans	-117.4	128.2	177.9	-165	-100.7	0	0	0	113.1	T215	T215-Y265 WeakPolarHBondContact CG2-O 3.41Å; T215-Y265 PolarHBondContact OG1-N 3.32Å; T215-Y265 PolarHBondContact OG1-O 3.42Å; T215-Y265 VanDerWaalsContact OG1-O 3.12Å
266	P	97.5	Very high	97.2	Very high	93 Å²	93	51.4 Å²	51.4	60%	0.604	26%	0.262	S	S	*	.	S	Bend	cis	-58.9	155.5	-13	-21.5	33.9	0	0	0	113	T264	T264-P266 CarbonylContact C-O 3.6Å; T264-P266 CarbonylContact O-C 3.57Å
267	P	97.6	Very high	97.1	Very high	71 Å²	71	49.3 Å²	49.3	46%	0.461	25%	0.253	S	S	.	.			trans	-64.3	143.1	-174.7	26.2	-34.9	0	0	0	113	T264	T264-P267 WeakPolarHBondContact O-CA 3.45Å; T264-P267 VanDerWaalsContact O-N 3.12Å
268	L	97.3	Very high	97.1	Very high	16 Å²	16	49.1 Å²	49.1	8%	0.084	25%	0.252	C	S	.	.			trans	-101.4	115.5	176.3	-56.6	172.9	0	0	0	109.4	W29 C203 C261 T264 Y270	W29-L268 HydrophobicContact CZ2-CD1 4.01Å; C203-L268 HydrophobicContact CB-CD2 4.07Å; C261-L268 CarbonylContact C-O 3.59Å; C261-L268 HydrophobicContact CB-CB 3.89Å; C261-L268 WeakPolarHBondContact CB-O 3.22Å; C261-L268 WeakPolarHBondContact O-CB 3.24Å; C261-L268 PolarHBondContact O-N 3.26Å; T264-L268 HydrophobicContact CG2-CD1 3.9Å; T264-L268 HydrophobicContact CG2-CG 4.02Å; L268-Y270 HydrophobicContact CB-CD2 4.43Å; L268-Y270 HydrophobicContact CB-CE2 3.99Å; L268-Y270 HydrophobicContact CD1-CE2 4.29Å
269	L	95.6	Very high	97.1	Very high	132 Å²	132	50.1 Å²	50.1	69%	0.691	26%	0.257	S	S	*	.			trans	-108.6	93.2	-179.4	-66	166.5	0	0	0	109.7	L262	L262-L269 HydrophobicContact CD2-CD2 3.42Å; L262-L269 VanDerWaalsContact CD2-CD2 3.42Å
270	Y	94.3	Very high	97.1	Very high	16 Å²	16	52.5 Å²	52.5	6%	0.063	26%	0.259	C	S	.	.			trans	-91.8	-36.2	176.7	-70.4	-62.3	0	0	0	113.3	W29 K201 C203 S204 C261 L268 A300 G301 C302	W29-Y270 AromaticContact CH2-CE2 3.67Å; W29-Y270 HydrophobicContact CH2-CE2 3.67Å; W29-Y270 AromaticContact CH2-CZ 3.99Å; W29-Y270 HydrophobicContact CZ2-CE2 4.05Å; K201-Y270 HydrophobicContact CD-CE1 4.21Å; C203-Y270 VanDerWaalsContact O-CE1 3.27Å; C203-Y270 WeakPolarHBondContact O-CE1 3.36Å; C203-Y270 PolarHBondContact O-OH 2.93Å; S204-Y270 PolarHBondContact O-OH 3.4Å; C261-Y270 HydrophobicContact CB-CD2 4.3Å; L268-Y270 HydrophobicContact CB-CD2 4.43Å; L268-Y270 HydrophobicContact CB-CE2 3.99Å; L268-Y270 HydrophobicContact CD1-CE2 4.29Å; Y270-A300 HydrophobicContact CD1-CB 4.26Å; Y270-A300 WeakPolarHBondContact CD1-O 3.3Å; Y270-A300 HydrophobicContact CD2-CB 4.09Å; Y270-A300 HydrophobicContact CE1-CB 4.05Å; Y270-A300 HydrophobicContact CE2-CB 3.85Å; Y270-A300 HydrophobicContact CG-CB 4.3Å; Y270-G301 CarbonylContact O-C 3.54Å; Y270-C302 WeakPolarHBondContact O-CB 3.39Å; Y270-C302 PolarHBondContact O-N 3.4Å
271	L	95.3	Very high	97.1	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.267	26%	0.259	S	S	.	.			trans	-78.9	140.9	179.5	-57.5	-175.3	0	0	0	109.8	H258 M279 F298	H258-L271 HydrophobicContact CB-CD1 3.96Å; H258-L271 HydrophobicContact CB-CG 4.44Å; H258-L271 VanDerWaalsContact CE1-CD2 3.49Å; H258-L271 WeakPolarHBondContact CE1-CD2 3.4Å; H258-L271 WeakPolarHBondContact NE2-CD2 3.23Å; L271-M279 HydrophobicContact CD1-SD 4.11Å; L271-F298 HydrophobicContact CD2-CB 3.75Å; L271-F298 HydrophobicContact CD2-CD1 3.74Å; L271-F298 HydrophobicContact CD2-CD2 4.23Å; L271-F298 HydrophobicContact CD2-CE1 4.38Å; L271-F298 HydrophobicContact CD2-CG 3.65Å
272	N	94	Very high	97.2	Very high	66 Å²	66	52.4 Å²	52.4	35%	0.353	26%	0.259	S	S	.	.			trans	-117.9	-170.3	174	68.5	8.3	0	0	0	110.3	F274 S275 R276 C302	N272-F274 VanDerWaalsContact C-N 3.32Å; N272-F274 PolarHBondContact O-N 3.35Å; N272-F274 WeakPolarHBondContact OD1-CB 3.3Å; N272-F274 PolarHBondContact OD1-N 2.97Å; N272-F274 VanDerWaalsContact OD1-N 3.09Å; N272-S275 PolarHBondContact N-OG 3.3Å; N272-S275 WeakPolarHBondContact O-CB 3.2Å; N272-S275 PolarHBondContact O-N 3.26Å; N272-S275 PolarHBondContact OD1-N 3.12Å; N272-S275 PolarHBondContact OD1-OG 2.57Å; N272-S275 VanDerWaalsContact OD1-OG 3.1Å; N272-R276 PolarHBondContact O-N 3.37Å; N272-C302 HydrophobicContact CB-CB 4.38Å
273	E	95.6	Very high	97.2	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.35	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-39.4	-179.8	-174.7	53.3	-155.8	0	0	112.8	R276 Q277 L355	E273-R276 PolarHBondContact O-N 3.35Å; E273-R276 IonicContact OE1-CZ 3.03Å; E273-R276 IonicContact OE1-NE 2.67Å; E273-R276 IonicContact OE1-NH2 2.88Å; E273-R276 PolarHBondContact OE1-NH2 3.06Å; E273-R276 IonicContact OE2-CZ 2.83Å; E273-R276 IonicContact OE2-NE 2.78Å; E273-R276 PolarHBondContact OE2-NE 3.38Å; E273-R276 IonicContact OE2-NH2 2.74Å; E273-R276 PolarHBondContact OE2-NH2 3.22Å; E273-Q277 WeakPolarHBondContact O-CG 3.47Å; E273-Q277 PolarHBondContact O-N 3.18Å; E273-Q277 WeakPolarHBondContact OE1-CG 3.39Å; E273-Q277 PolarHBondContact OE1-NE2 3.38Å; E273-L355 HydrophobicContact CG-CD1 3.95Å; E273-L355 HydrophobicContact CG-CD2 4.05Å
274	F	95	Very high	97.2	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.044	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-47.6	174	169.5	-110.4	0	0	0	111.8	L194 N272 R276 Q277 L278 F324 L355 S358 L359	L194-F274 HydrophobicContact CB-CZ 4.32Å; N272-F274 VanDerWaalsContact C-N 3.32Å; N272-F274 PolarHBondContact O-N 3.35Å; N272-F274 WeakPolarHBondContact OD1-CB 3.3Å; N272-F274 PolarHBondContact OD1-N 2.97Å; N272-F274 VanDerWaalsContact OD1-N 3.09Å; F274-R276 VanDerWaalsContact C-N 3.31Å; F274-R276 PolarHBondContact O-N 3Å; F274-Q277 PolarHBondContact O-N 3.05Å; F274-L278 HydrophobicContact CD1-CD1 4.09Å; F274-L278 HydrophobicContact CD2-CD1 4.16Å; F274-L278 HydrophobicContact CE1-CD1 3.54Å; F274-L278 HydrophobicContact CE2-CD1 3.64Å; F274-L278 HydrophobicContact CE2-CG 4.21Å; F274-L278 HydrophobicContact CG-CD1 4.39Å; F274-L278 HydrophobicContact CZ-CD1 3.32Å; F274-L278 HydrophobicContact CZ-CG 4.35Å; F274-L278 PolarHBondContact O-N 3.34Å; F274-F324 HydrophobicContact CD2-CB 4.48Å; F274-F324 AromaticContact CD2-CD1 3.88Å; F274-F324 HydrophobicContact CD2-CD1 3.88Å; F274-F324 HydrophobicContact CD2-CE1 4.34Å; F274-F324 HydrophobicContact CD2-CG 4.12Å; F274-F324 HydrophobicContact CE2-CB 3.97Å; F274-F324 HydrophobicContact CE2-CD1 4.04Å; F274-F324 HydrophobicContact CE2-CD2 4.18Å; F274-F324 AromaticContact CE2-CG 3.78Å; F274-F324 HydrophobicContact CE2-CG 3.78Å; F274-L355 HydrophobicContact CB-CD1 4.38Å; F274-S358 WeakPolarHBondContact CD2-OG 3.27Å; F274-L359 HydrophobicContact CE2-CB 4.34Å; F274-L359 HydrophobicContact CE2-CD1 4.5Å; F274-L359 HydrophobicContact CZ-CD1 4.02Å
275	S	96.5	Very high	97.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-45.3	176.4	-44.6	0	0	0	0	111.7	N272 L278 M279 C302	N272-S275 PolarHBondContact N-OG 3.3Å; N272-S275 WeakPolarHBondContact O-CB 3.2Å; N272-S275 PolarHBondContact O-N 3.26Å; N272-S275 PolarHBondContact OD1-N 3.12Å; N272-S275 PolarHBondContact OD1-OG 2.57Å; N272-S275 VanDerWaalsContact OD1-OG 3.1Å; S275-L278 WeakPolarHBondContact O-CB 3.3Å; S275-L278 PolarHBondContact O-N 3.4Å; S275-M279 WeakPolarHBondContact O-CG 3.37Å; S275-M279 PolarHBondContact O-N 3.3Å; S275-M279 VanDerWaalsContact O-N 3.09Å; S275-C302 VanDerWaalsContact OG-CA 3.29Å; S275-C302 WeakPolarHBondContact OG-CA 3.35Å; S275-C302 WeakPolarHBondContact OG-CB 3.4Å; S275-C302 PolarHBondContact OG-O 2.91Å
276	R	97.7	Very high	97.2	Very high	104 Å²	104	41 Å²	41	39%	0.392	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-45.4	-178.5	-172.2	177.9	70.4	88.4	-9.8	112.5	N272 E273 F274 L278 M279 F280	N272-R276 PolarHBondContact O-N 3.37Å; E273-R276 PolarHBondContact O-N 3.35Å; E273-R276 IonicContact OE1-CZ 3.03Å; E273-R276 IonicContact OE1-NE 2.67Å; E273-R276 IonicContact OE1-NH2 2.88Å; E273-R276 PolarHBondContact OE1-NH2 3.06Å; E273-R276 IonicContact OE2-CZ 2.83Å; E273-R276 IonicContact OE2-NE 2.78Å; E273-R276 PolarHBondContact OE2-NE 3.38Å; E273-R276 IonicContact OE2-NH2 2.74Å; E273-R276 PolarHBondContact OE2-NH2 3.22Å; F274-R276 VanDerWaalsContact C-N 3.31Å; F274-R276 PolarHBondContact O-N 3Å; R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 3.05Å; R276-M279 WeakPolarHBondContact O-CB 3.34Å; R276-M279 PolarHBondContact O-N 2.97Å; R276-F280 HydrophobicContact CG-CE2 4.36Å; R276-F280 HydrophobicContact CG-CZ 4.29Å; R276-F280 PolarHBondContact O-N 2.92Å
277	Q	98.3	Very high	97.2	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-33.5	177.8	-65.1	-56.8	-29.3	0	0	112	E273 F274 F280 L281 F324 V352 L355	E273-Q277 WeakPolarHBondContact O-CG 3.47Å; E273-Q277 PolarHBondContact O-N 3.18Å; E273-Q277 WeakPolarHBondContact OE1-CG 3.39Å; E273-Q277 PolarHBondContact OE1-NE2 3.38Å; F274-Q277 PolarHBondContact O-N 3.05Å; Q277-F280 PolarHBondContact O-N 2.87Å; Q277-L281 WeakPolarHBondContact O-CB 3.38Å; Q277-L281 PolarHBondContact O-N 3.37Å; Q277-F324 HydrophobicContact CB-CE1 3.59Å; Q277-F324 HydrophobicContact CB-CZ 3.83Å; Q277-V352 HydrophobicContact CB-CG1 4.48Å; Q277-L355 HydrophobicContact CB-CD1 4.09Å; Q277-L355 HydrophobicContact CG-CD1 3.7Å; Q277-L355 HydrophobicContact CG-CG 4.19Å
278	L	98.1	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-38.4	172.2	-88.2	169	0	0	0	113	L194 F274 S275 R276 L281 V282 F298 C304 F324	L194-L278 HydrophobicContact CB-CD1 4.46Å; L194-L278 HydrophobicContact CD1-CD1 4.09Å; L194-L278 HydrophobicContact CD1-CD2 3.57Å; F274-L278 HydrophobicContact CD1-CD1 4.09Å; F274-L278 HydrophobicContact CD2-CD1 4.16Å; F274-L278 HydrophobicContact CE1-CD1 3.54Å; F274-L278 HydrophobicContact CE2-CD1 3.64Å; F274-L278 HydrophobicContact CE2-CG 4.21Å; F274-L278 HydrophobicContact CG-CD1 4.39Å; F274-L278 HydrophobicContact CZ-CD1 3.32Å; F274-L278 HydrophobicContact CZ-CG 4.35Å; F274-L278 PolarHBondContact O-N 3.34Å; S275-L278 WeakPolarHBondContact O-CB 3.3Å; S275-L278 PolarHBondContact O-N 3.4Å; R276-L278 VanDerWaalsContact C-N 3.31Å; R276-L278 PolarHBondContact O-N 3.05Å; L278-L281 HydrophobicContact CD2-CD2 4.41Å; L278-L281 PolarHBondContact O-N 3.24Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 3.48Å; L278-F298 HydrophobicContact CB-CZ 4.36Å; L278-C304 HydrophobicContact CD1-CB 3.54Å; L278-F324 HydrophobicContact CD2-CD2 3.96Å; L278-F324 HydrophobicContact CD2-CE2 3.36Å; L278-F324 HydrophobicContact CD2-CZ 4.08Å; L278-F324 HydrophobicContact CG-CD2 4.25Å; L278-F324 HydrophobicContact CG-CE2 3.6Å; L278-F324 HydrophobicContact CG-CZ 3.85Å
279	M	98.6	Very high	97.3	Very high	35 Å²	35	44.7 Å²	44.7	17%	0.172	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-46.5	174.3	-64.2	167	69.8	0	0	110.9	D255 L271 S275 R276 L281 V282 H283 Y296 F298	D255-M279 VanDerWaalsContact OD1-CE 3.27Å; D255-M279 WeakPolarHBondContact OD1-CE 3.43Å; L271-M279 HydrophobicContact CD1-SD 4.11Å; S275-M279 WeakPolarHBondContact O-CG 3.37Å; S275-M279 PolarHBondContact O-N 3.3Å; S275-M279 VanDerWaalsContact O-N 3.09Å; R276-M279 WeakPolarHBondContact O-CB 3.34Å; R276-M279 PolarHBondContact O-N 2.97Å; M279-L281 VanDerWaalsContact C-N 3.34Å; M279-L281 PolarHBondContact O-N 2.96Å; M279-V282 PolarHBondContact O-N 3.26Å; M279-H283 PolarHBondContact O-CD2 3.28Å; M279-H283 VanDerWaalsContact O-CD2 3.23Å; M279-H283 PolarHBondContact O-N 2.93Å; M279-H283 VanDerWaalsContact O-N 3.08Å; M279-Y296 HydrophobicContact CB-CD1 4.38Å; M279-Y296 HydrophobicContact CB-CE1 3.97Å; M279-Y296 HydrophobicContact CE-CE2 4.05Å; M279-Y296 WeakPolarHBondContact CE-OH 3.38Å; M279-Y296 HydrophobicContact CG-CD1 4.29Å; M279-Y296 HydrophobicContact CG-CD2 4.16Å; M279-Y296 HydrophobicContact CG-CE1 4.05Å; M279-Y296 HydrophobicContact CG-CE2 3.92Å; M279-Y296 HydrophobicContact CG-CG 4.35Å; M279-F298 HydrophobicContact CG-CE2 3.7Å; M279-F298 HydrophobicContact CG-CZ 4.33Å; M279-F298 HydrophobicContact SD-CE2 4.35Å
280	F	98.6	Very high	97.4	Very high	91 Å²	91	41.7 Å²	41.7	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-40.1	176	-65.5	-18.9	0	0	0	112.4	R276 Q277 G284 V352	R276-F280 HydrophobicContact CG-CE2 4.36Å; R276-F280 HydrophobicContact CG-CZ 4.29Å; R276-F280 PolarHBondContact O-N 2.92Å; Q277-F280 PolarHBondContact O-N 2.87Å; F280-G284 PolarHBondContact O-N 3.37Å; F280-V352 HydrophobicContact CB-CG2 3.86Å
281	L	98.7	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-49	176.3	178.4	61	0	0	0	111.4	Q277 L278 M279 G284 Y285 F316 Y319 V320 Y323 F324 V349 V352	Q277-L281 WeakPolarHBondContact O-CB 3.38Å; Q277-L281 PolarHBondContact O-N 3.37Å; L278-L281 HydrophobicContact CD2-CD2 4.41Å; L278-L281 PolarHBondContact O-N 3.24Å; M279-L281 VanDerWaalsContact C-N 3.34Å; M279-L281 PolarHBondContact O-N 2.96Å; L281-G284 PolarHBondContact O-N 2.97Å; L281-Y285 WeakPolarHBondContact O-CB 3.46Å; L281-Y285 PolarHBondContact O-N 2.93Å; L281-F316 HydrophobicContact CD2-CE2 4.37Å; L281-F316 HydrophobicContact CD2-CZ 4.24Å; L281-F316 HydrophobicContact CG-CE2 4.28Å; L281-F316 HydrophobicContact CG-CZ 4.47Å; L281-Y319 HydrophobicContact CD1-CD1 4.11Å; L281-V320 HydrophobicContact CD2-CG2 4.27Å; L281-Y323 HydrophobicContact CD1-CD2 3.58Å; L281-Y323 HydrophobicContact CD1-CE2 3.6Å; L281-Y323 HydrophobicContact CD1-CG 4.46Å; L281-Y323 HydrophobicContact CD2-CD2 4.15Å; L281-Y323 HydrophobicContact CG-CD2 4.48Å; L281-F324 HydrophobicContact CD2-CD2 4.49Å; L281-F324 HydrophobicContact CD2-CE2 3.62Å; L281-F324 HydrophobicContact CD2-CZ 4.36Å; L281-V349 HydrophobicContact CD1-CB 4.18Å; L281-V349 HydrophobicContact CD1-CG2 3.77Å; L281-V352 HydrophobicContact CB-CG1 4.25Å; L281-V352 HydrophobicContact CB-CG2 4.32Å
282	V	98.7	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-47.3	-179.5	160.7	0	0	0	0	111.7	M251 L278 M279 Y285 N286 V294 Y296 F316	M251-V282 HydrophobicContact SD-CG1 3.79Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 3.48Å; M279-V282 PolarHBondContact O-N 3.26Å; V282-Y285 PolarHBondContact O-N 2.84Å; V282-N286 PolarHBondContact O-N 3.21Å; V282-N286 PolarHBondContact O-ND2 2.88Å; V282-V294 HydrophobicContact CB-CG2 4.3Å; V282-V294 HydrophobicContact CG1-CG2 3.98Å; V282-V294 HydrophobicContact CG2-CG2 4.08Å; V282-Y296 HydrophobicContact CB-CD1 3.76Å; V282-Y296 HydrophobicContact CB-CE1 4.49Å; V282-Y296 HydrophobicContact CG1-CD1 3.59Å; V282-Y296 HydrophobicContact CG1-CE1 4.22Å; V282-Y296 HydrophobicContact CG2-CD1 4.21Å; V282-F316 HydrophobicContact CG2-CE2 4.37Å; V282-F316 HydrophobicContact CG2-CZ 3.89Å
283	H	98.6	Very high	97.9	Very high	87 Å²	87	45 Å²	45	40%	0.403	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-48.9	178.1	-81.8	-65.8	0	0	0	111.6	M279 Y285 N286 E287 Y296	M279-H283 PolarHBondContact O-CD2 3.28Å; M279-H283 VanDerWaalsContact O-CD2 3.23Å; M279-H283 PolarHBondContact O-N 2.93Å; M279-H283 VanDerWaalsContact O-N 3.08Å; H283-Y285 PolarHBondContact O-N 3.47Å; H283-N286 PolarHBondContact O-N 2.9Å; H283-E287 PolarHBondContact O-N 3.32Å; H283-Y296 AromaticContact CD2-CE1 3.79Å; H283-Y296 AromaticContact NE2-CE1 3.53Å; H283-Y296 AromaticContact NE2-CZ 3.83Å; H283-Y296 PolarHBondContact NE2-OH 2.81Å
284	G	98.4	Very high	98.1	Very high	10 Å²	10	41.4 Å²	41.4	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-71.8	-28.8	-179.2	0	0	0	0	0	113.9	F280 L281 E287 L288	F280-G284 PolarHBondContact O-N 3.37Å; L281-G284 PolarHBondContact O-N 2.97Å; G284-E287 PolarHBondContact O-N 3.16Å; G284-L288 VanDerWaalsContact O-CG 3.31Å; G284-L288 WeakPolarHBondContact O-CG 3.44Å; G284-L288 PolarHBondContact O-N 2.98Å
285	Y	98.6	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-48.8	171	-177.5	-88.3	0	0	0	111.3	L281 V282 H283 E287 L288 A289 R293 V294 E312 H315 F316 Y319 F346	L281-Y285 WeakPolarHBondContact O-CB 3.46Å; L281-Y285 PolarHBondContact O-N 2.93Å; V282-Y285 PolarHBondContact O-N 2.84Å; H283-Y285 PolarHBondContact O-N 3.47Å; Y285-E287 VanDerWaalsContact C-N 3.31Å; Y285-E287 PolarHBondContact O-N 3.34Å; Y285-L288 PolarHBondContact O-N 3.06Å; Y285-A289 WeakPolarHBondContact O-CB 3.24Å; Y285-A289 PolarHBondContact O-N 2.84Å; Y285-R293 HydrophobicContact CE1-CB 4Å; Y285-V294 HydrophobicContact CD1-CG1 4.32Å; Y285-V294 HydrophobicContact CD1-CG2 3.74Å; Y285-V294 HydrophobicContact CE1-CG1 4.14Å; Y285-V294 HydrophobicContact CE1-CG2 4.38Å; Y285-V294 HydrophobicContact CG-CG2 4.39Å; Y285-E312 HydrophobicContact CE1-CG 4.42Å; Y285-E312 WeakPolarHBondContact CE1-OE1 3.5Å; Y285-E312 VanDerWaalsContact CZ-OE1 3.31Å; Y285-E312 PolarHBondContact OH-OE1 3.06Å; Y285-H315 WeakPolarHBondContact OH-CB 3.34Å; Y285-F316 HydrophobicContact CD1-CD2 4.04Å; Y285-F316 HydrophobicContact CD1-CE2 4.49Å; Y285-F316 AromaticContact CD2-CD2 3.79Å; Y285-F316 HydrophobicContact CD2-CD2 3.79Å; Y285-F316 HydrophobicContact CD2-CE2 4.27Å; Y285-F316 HydrophobicContact CE1-CD2 4.15Å; Y285-F316 AromaticContact CE2-CD2 3.89Å; Y285-F316 HydrophobicContact CE2-CD2 3.89Å; Y285-F316 AromaticContact CG-CD2 3.86Å; Y285-F316 HydrophobicContact CG-CD2 3.86Å; Y285-F316 HydrophobicContact CG-CE2 4.1Å; Y285-Y319 HydrophobicContact CD2-CD1 4.01Å; Y285-Y319 AromaticContact CD2-CD2 3.92Å; Y285-Y319 HydrophobicContact CD2-CD2 3.92Å; Y285-Y319 HydrophobicContact CD2-CE1 4.02Å; Y285-Y319 AromaticContact CD2-CE2 3.93Å; Y285-Y319 HydrophobicContact CD2-CE2 3.93Å; Y285-Y319 AromaticContact CD2-CG 3.97Å; Y285-Y319 HydrophobicContact CD2-CG 3.97Å; Y285-Y319 AromaticContact CD2-CZ 3.99Å; Y285-Y319 AromaticContact CE2-CD2 3.6Å; Y285-Y319 HydrophobicContact CE2-CD2 3.6Å; Y285-Y319 HydrophobicContact CE2-CE1 4.42Å; Y285-Y319 AromaticContact CE2-CE2 3.5Å; Y285-Y319 HydrophobicContact CE2-CE2 3.5Å; Y285-Y319 VanDerWaalsContact CE2-CE2 3.5Å; Y285-Y319 HydrophobicContact CE2-CG 4.13Å; Y285-Y319 AromaticContact CE2-CZ 3.94Å; Y285-F346 HydrophobicContact CD2-CD2 4.46Å; Y285-F346 HydrophobicContact CE1-CE2 4.16Å; Y285-F346 AromaticContact CE2-CD2 3.95Å; Y285-F346 HydrophobicContact CE2-CD2 3.95Å; Y285-F346 HydrophobicContact CE2-CE2 4.07Å; Y285-F346 AromaticContact CZ-CE2 3.69Å
286	N	98.5	Very high	98.4	Very high	2 Å²	2	41 Å²	41	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-37.8	176.8	-71.2	-29.6	0	0	0	111.8	V282 H283 A289 G290 E291 M292 R293 V294	V282-N286 PolarHBondContact O-N 3.21Å; V282-N286 PolarHBondContact O-ND2 2.88Å; H283-N286 PolarHBondContact O-N 2.9Å; N286-A289 PolarHBondContact O-N 3.27Å; N286-G290 PolarHBondContact O-N 3.39Å; N286-E291 PolarHBondContact O-N 3.2Å; N286-M292 HydrophobicContact CB-CE 3.8Å; N286-M292 HydrophobicContact CB-SD 4.3Å; N286-R293 PolarHBondContact OD1-N 3.11Å; N286-V294 PolarHBondContact ND2-O 2.94Å; N286-V294 PolarHBondContact OD1-N 2.87Å; N286-V294 PolarHBondContact OD1-O 2.72Å
287	E	98.2	Very high	98.4	Very high	160 Å²	160	36.1 Å²	36.1	75%	0.748	19%	0.194	S	C	*	.	H	α-helix	trans	-60.9	-49.1	174.7	-175.2	-178.6	-178.4	0	0	111.6	H283 G284 Y285 A289 G290	H283-E287 PolarHBondContact O-N 3.32Å; G284-E287 PolarHBondContact O-N 3.16Å; Y285-E287 VanDerWaalsContact C-N 3.31Å; Y285-E287 PolarHBondContact O-N 3.34Å; E287-A289 VanDerWaalsContact C-N 3.3Å; E287-A289 PolarHBondContact O-N 3.49Å; E287-G290 PolarHBondContact O-N 3.4Å; E287-G290 VanDerWaalsContact O-N 3.14Å
288	L	98.1	Very high	98.3	Very high	79 Å²	79	36 Å²	36	41%	0.414	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-34.1	177.5	-70.6	177.6	0	0	0	112.8	G284 Y285 G290 F346 V349	G284-L288 VanDerWaalsContact O-CG 3.31Å; G284-L288 WeakPolarHBondContact O-CG 3.44Å; G284-L288 PolarHBondContact O-N 2.98Å; Y285-L288 PolarHBondContact O-N 3.06Å; L288-G290 VanDerWaalsContact C-N 3.29Å; L288-F346 HydrophobicContact CB-CB 3.7Å; L288-F346 HydrophobicContact CB-CG 4.39Å; L288-F346 HydrophobicContact CD1-CB 4.24Å; L288-V349 HydrophobicContact CD1-CG2 3.94Å
289	A	97.6	Very high	98.1	Very high	19 Å²	19	37.4 Å²	37.4	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-20.2	175.6	0	0	0	0	0	113.4	Y285 N286 E287 E291 R293 F346	Y285-A289 WeakPolarHBondContact O-CB 3.24Å; Y285-A289 PolarHBondContact O-N 2.84Å; N286-A289 PolarHBondContact O-N 3.27Å; E287-A289 VanDerWaalsContact C-N 3.3Å; E287-A289 PolarHBondContact O-N 3.49Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 2.84Å; A289-R293 HydrophobicContact CB-CG 4.03Å; A289-F346 HydrophobicContact CB-CD2 4.31Å; A289-F346 HydrophobicContact CB-CE1 4.31Å; A289-F346 HydrophobicContact CB-CE2 3.83Å; A289-F346 HydrophobicContact CB-CZ 3.83Å
290	G	98	Very high	97.8	Very high	69 Å²	69	36.2 Å²	36.2	71%	0.711	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	6.1	-176.6	0	0	0	0	0	114.8	N286 E287 L288	N286-G290 PolarHBondContact O-N 3.39Å; E287-G290 PolarHBondContact O-N 3.4Å; E287-G290 VanDerWaalsContact O-N 3.14Å; L288-G290 VanDerWaalsContact C-N 3.29Å
291	E	98	Very high	97.4	Very high	97 Å²	97	32.5 Å²	32.5	45%	0.453	18%	0.183	S	C	.	.	S	Bend	trans	-156.2	163.5	179.5	70.9	-174.3	151.9	0	0	111.4	N286 A289 R293	N286-E291 PolarHBondContact O-N 3.2Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 2.84Å; E291-R293 HydrophobicContact CG-CG 3.62Å; E291-R293 PolarHBondContact O-N 3.47Å; E291-R293 IonicContact OE1-CZ 3.19Å; E291-R293 IonicContact OE1-NE 3.21Å; E291-R293 PolarHBondContact OE1-NE 2.97Å; E291-R293 IonicContact OE1-NH2 3.45Å; E291-R293 PolarHBondContact OE1-NH2 3.49Å
292	M	98.3	Very high	97.1	Very high	65 Å²	65	33.4 Å²	33.4	32%	0.32	19%	0.19	S	C	.	.			trans	-70.6	113.1	172.2	-68.2	-63.9	117.7	0	0	110.1	F243 A244 A247 M251 N286	F243-M292 HydrophobicContact CD1-CB 4.48Å; F243-M292 VanDerWaalsContact CD1-O 3.22Å; F243-M292 WeakPolarHBondContact CD1-O 3.39Å; F243-M292 HydrophobicContact CE1-CB 4.39Å; F243-M292 WeakPolarHBondContact CE1-O 3.46Å; A244-M292 HydrophobicContact CB-CB 4.11Å; A244-M292 HydrophobicContact CB-CG 4.44Å; A247-M292 HydrophobicContact CB-CB 4.12Å; A247-M292 HydrophobicContact CB-CG 4.39Å; M251-M292 HydrophobicContact CE-SD 3.81Å; N286-M292 HydrophobicContact CB-CE 3.8Å; N286-M292 HydrophobicContact CB-SD 4.3Å
293	R	98.4	Very high	96.8	Very high	40 Å²	40	33.8 Å²	33.8	15%	0.151	19%	0.192	C	C	.	.			trans	-118.2	-28.4	178.8	-64.2	-160.1	169.1	-151.8	-3.5	114	F243 Y285 N286 A289 E291 C308 E312	F243-R293 VanDerWaalsContact CE1-O 3.3Å; F243-R293 WeakPolarHBondContact CE1-O 3.33Å; F243-R293 VanDerWaalsContact CZ-O 3.22Å; F243-R293 WeakPolarHBondContact CZ-O 3.42Å; Y285-R293 HydrophobicContact CE1-CB 4Å; N286-R293 PolarHBondContact OD1-N 3.11Å; A289-R293 HydrophobicContact CB-CG 4.03Å; E291-R293 HydrophobicContact CG-CG 3.62Å; E291-R293 PolarHBondContact O-N 3.47Å; E291-R293 IonicContact OE1-CZ 3.19Å; E291-R293 IonicContact OE1-NE 3.21Å; E291-R293 PolarHBondContact OE1-NE 2.97Å; E291-R293 IonicContact OE1-NH2 3.45Å; E291-R293 PolarHBondContact OE1-NH2 3.49Å; R293-C308 WeakPolarHBondContact O-CB 3.41Å; R293-E312 HydrophobicContact CB-CG 4.06Å; R293-E312 WeakPolarHBondContact CD-OE1 3.44Å; R293-E312 IonicContact NH1-OE1 3.39Å; R293-E312 PolarHBondContact NH1-OE1 2.96Å; R293-E312 IonicContact NH1-OE2 3.56Å; R293-E312 PolarHBondContact NH1-OE2 3.37Å
294	V	98.8	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.2	178.1	-59.1	0	0	0	0	110	V282 Y285 N286 V306 I307 C308 E312 F316	V282-V294 HydrophobicContact CB-CG2 4.3Å; V282-V294 HydrophobicContact CG1-CG2 3.98Å; V282-V294 HydrophobicContact CG2-CG2 4.08Å; Y285-V294 HydrophobicContact CD1-CG1 4.32Å; Y285-V294 HydrophobicContact CD1-CG2 3.74Å; Y285-V294 HydrophobicContact CE1-CG1 4.14Å; Y285-V294 HydrophobicContact CE1-CG2 4.38Å; Y285-V294 HydrophobicContact CG-CG2 4.39Å; N286-V294 PolarHBondContact ND2-O 2.94Å; N286-V294 PolarHBondContact OD1-N 2.87Å; N286-V294 PolarHBondContact OD1-O 2.72Å; V294-V306 HydrophobicContact CB-CG1 3.89Å; V294-V306 HydrophobicContact CG1-CG1 4.41Å; V294-I307 CarbonylContact C-O 3.48Å; V294-I307 WeakPolarHBondContact CA-O 3.28Å; V294-C308 HydrophobicContact CB-CB 4.41Å; V294-C308 HydrophobicContact CG1-CB 3.79Å; V294-E312 HydrophobicContact CG1-CG 4.04Å; V294-F316 HydrophobicContact CB-CD2 4.39Å; V294-F316 HydrophobicContact CB-CE2 4.43Å; V294-F316 HydrophobicContact CG1-CB 4.05Å; V294-F316 HydrophobicContact CG1-CD1 4.24Å; V294-F316 HydrophobicContact CG1-CD2 3.8Å; V294-F316 HydrophobicContact CG1-CE2 4.32Å; V294-F316 HydrophobicContact CG1-CG 3.76Å; V294-F316 HydrophobicContact CG2-CD2 4Å; V294-F316 HydrophobicContact CG2-CE2 3.78Å; V294-F316 HydrophobicContact CG2-CZ 4.28Å
295	A	98.9	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129	179	0	0	0	0	0	109.8	A247 M251 V306 I307	A247-A295 HydrophobicContact CB-CB 3.62Å; M251-A295 HydrophobicContact CG-CB 4.05Å; M251-A295 HydrophobicContact SD-CB 4.33Å; A295-V306 CarbonylContact O-C 3.59Å; A295-V306 VanDerWaalsContact O-CA 3.29Å; A295-V306 WeakPolarHBondContact O-CA 3.33Å; A295-I307 PolarHBondContact N-O 3.22Å; A295-I307 PolarHBondContact O-N 3.38Å
296	Y	98.7	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	156.6	173.7	63.1	-98.4	0	0	0	111.6	M251 D255 M279 V282 H283 F298 F305	M251-Y296 HydrophobicContact CB-CE1 4.41Å; M251-Y296 HydrophobicContact CB-CE2 4.26Å; M251-Y296 HydrophobicContact CG-CD1 4Å; M251-Y296 HydrophobicContact CG-CD2 4.32Å; M251-Y296 HydrophobicContact CG-CE1 3.97Å; M251-Y296 HydrophobicContact CG-CE2 4.28Å; M251-Y296 HydrophobicContact CG-CG 4.18Å; M251-Y296 WeakPolarHBondContact CG-O 2.96Å; M251-Y296 HydrophobicContact SD-CD1 3.78Å; M251-Y296 HydrophobicContact SD-CE1 3.66Å; D255-Y296 VanDerWaalsContact CG-OH 3.26Å; D255-Y296 WeakPolarHBondContact OD1-CE2 3.17Å; D255-Y296 PolarHBondContact OD1-OH 2.78Å; D255-Y296 PolarHBondContact OD2-OH 3.39Å; M279-Y296 HydrophobicContact CB-CD1 4.38Å; M279-Y296 HydrophobicContact CB-CE1 3.97Å; M279-Y296 HydrophobicContact CE-CE2 4.05Å; M279-Y296 WeakPolarHBondContact CE-OH 3.38Å; M279-Y296 HydrophobicContact CG-CD1 4.29Å; M279-Y296 HydrophobicContact CG-CD2 4.16Å; M279-Y296 HydrophobicContact CG-CE1 4.05Å; M279-Y296 HydrophobicContact CG-CE2 3.92Å; M279-Y296 HydrophobicContact CG-CG 4.35Å; V282-Y296 HydrophobicContact CB-CD1 3.76Å; V282-Y296 HydrophobicContact CB-CE1 4.49Å; V282-Y296 HydrophobicContact CG1-CD1 3.59Å; V282-Y296 HydrophobicContact CG1-CE1 4.22Å; V282-Y296 HydrophobicContact CG2-CD1 4.21Å; H283-Y296 AromaticContact CD2-CE1 3.79Å; H283-Y296 AromaticContact NE2-CE1 3.53Å; H283-Y296 AromaticContact NE2-CZ 3.83Å; H283-Y296 PolarHBondContact NE2-OH 2.81Å; Y296-F298 AromaticContact CD2-CD2 3.74Å; Y296-F298 HydrophobicContact CD2-CD2 3.74Å; Y296-F298 AromaticContact CD2-CE2 3.61Å; Y296-F298 HydrophobicContact CD2-CE2 3.61Å; Y296-F298 HydrophobicContact CE2-CD2 4.41Å; Y296-F298 HydrophobicContact CE2-CE2 4.37Å; Y296-F298 HydrophobicContact CG-CE2 4.01Å; Y296-F305 CarbonylContact C-O 3.5Å; Y296-F305 WeakPolarHBondContact CA-O 3.4Å
297	S	98.3	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.5	166.9	-155.3	0	0	0	0	109.9	K27 F305	K27-S297 PolarHBondContact NZ-OG 3.18Å; S297-F305 PolarHBondContact N-O 2.71Å; S297-F305 PolarHBondContact O-N 3.1Å
298	F	96.5	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.			trans	-118.1	137.2	173.6	-62.6	-90.1	0	0	0	108.8	K27 S254 H258 L271 L278 M279 Y296 N303 C304	K27-F298 WeakPolarHBondContact CE-O 3.31Å; K27-F298 PolarHBondContact NZ-O 2.88Å; S254-F298 PolarHBondContact OG-N 3.11Å; H258-F298 VanDerWaalsContact NE2-CB 3.28Å; H258-F298 WeakPolarHBondContact NE2-CB 3.26Å; L271-F298 HydrophobicContact CD2-CB 3.75Å; L271-F298 HydrophobicContact CD2-CD1 3.74Å; L271-F298 HydrophobicContact CD2-CD2 4.23Å; L271-F298 HydrophobicContact CD2-CE1 4.38Å; L271-F298 HydrophobicContact CD2-CG 3.65Å; L278-F298 HydrophobicContact CB-CZ 4.36Å; M279-F298 HydrophobicContact CG-CE2 3.7Å; M279-F298 HydrophobicContact CG-CZ 4.33Å; M279-F298 HydrophobicContact SD-CE2 4.35Å; Y296-F298 AromaticContact CD2-CD2 3.74Å; Y296-F298 HydrophobicContact CD2-CD2 3.74Å; Y296-F298 AromaticContact CD2-CE2 3.61Å; Y296-F298 HydrophobicContact CD2-CE2 3.61Å; Y296-F298 HydrophobicContact CE2-CD2 4.41Å; Y296-F298 HydrophobicContact CE2-CE2 4.37Å; Y296-F298 HydrophobicContact CG-CE2 4.01Å; F298-N303 WeakPolarHBondContact CD1-O 3.3Å; F298-C304 HydrophobicContact CD1-CB 4.16Å; F298-C304 HydrophobicContact CE1-CB 3.36Å; F298-C304 HydrophobicContact CZ-CB 3.59Å; F298-C304 WeakPolarHBondContact CZ-SG 3.32Å
299	D	93.8	Very high	96.6	Very high	30 Å²	30	22.3 Å²	22.3	16%	0.16	13%	0.129	C	C	.	.			trans	-92.8	-156.1	165.9	-74	-19.5	0	0	0	108.6	K27 H258 G301	K27-D299 IonicContact NZ-OD1 3.98Å; K27-D299 PolarHBondContact NZ-OD1 3.47Å; H258-D299 PolarHBondContact CE1-O 2.66Å; H258-D299 PolarHBondContact NE2-O 2.72Å; D299-G301 PolarHBondContact O-N 2.9Å
300	A	92.1	Very high	96.4	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	14%	0.138	C	C	.	.	S	Bend	trans	-78	63.1	176	0	0	0	0	0	112.4	W29 S205 Y270	W29-A300 HydrophobicContact CH2-CB 3.74Å; W29-A300 HydrophobicContact CZ3-CB 3.48Å; W29-A300 VanDerWaalsContact CZ3-CB 3.48Å; S205-A300 VanDerWaalsContact OG-CB 3.28Å; S205-A300 WeakPolarHBondContact OG-CB 3.49Å; Y270-A300 HydrophobicContact CD1-CB 4.26Å; Y270-A300 WeakPolarHBondContact CD1-O 3.3Å; Y270-A300 HydrophobicContact CD2-CB 4.09Å; Y270-A300 HydrophobicContact CE1-CB 4.05Å; Y270-A300 HydrophobicContact CE2-CB 3.85Å; Y270-A300 HydrophobicContact CG-CB 4.3Å
301	G	90.8	Very high	96.3	Very high	13 Å²	13	25.1 Å²	25.1	13%	0.134	13%	0.129	C	C	.	.	S	Bend	trans	-172	174.7	178.5	0	0	0	0	0	111.8	Y270 D299	Y270-G301 CarbonylContact O-C 3.54Å; D299-G301 PolarHBondContact O-N 2.9Å
302	C	92.1	Very high	96.2	Very high	20 Å²	20	21.1 Å²	21.1	14%	0.135	11%	0.11	C	C	.	.	S	Bend	trans	-94.2	-11.7	-175.4	54.2	0	0	0	0	114.5	T197 Y270 N272 S275	T197-C302 WeakPolarHBondContact CG2-SG 3.15Å; Y270-C302 WeakPolarHBondContact O-CB 3.39Å; Y270-C302 PolarHBondContact O-N 3.4Å; N272-C302 HydrophobicContact CB-CB 4.38Å; S275-C302 VanDerWaalsContact OG-CA 3.29Å; S275-C302 WeakPolarHBondContact OG-CA 3.35Å; S275-C302 WeakPolarHBondContact OG-CB 3.4Å; S275-C302 PolarHBondContact OG-O 2.91Å
303	N	92.8	Very high	96.1	Very high	8 Å²	8	18 Å²	18	4%	0.043	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-73.8	138.5	176.5	-68.6	-36.1	0	0	0	110.5	A111 L113 I195 G196 T197 F298	A111-N303 PolarHBondContact O-ND2 3.2Å; L113-N303 HydrophobicContact CD2-CB 3.88Å; I195-N303 WeakPolarHBondContact CA-OD1 3.36Å; G196-N303 PolarHBondContact N-OD1 3.13Å; T197-N303 PolarHBondContact N-OD1 3.38Å; T197-N303 PolarHBondContact O-ND2 3.28Å; T197-N303 PolarHBondContact O-OD1 3.26Å; F298-N303 WeakPolarHBondContact CD1-O 3.3Å
304	C	95.7	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.6	-170.6	-173.8	0	0	0	0	110.8	L194 L278 F298	L194-C304 HydrophobicContact CB-CB 4.23Å; L194-C304 PolarHBondContact N-O 3.41Å; L194-C304 PolarHBondContact O-N 3.02Å; L278-C304 HydrophobicContact CD1-CB 3.54Å; F298-C304 HydrophobicContact CD1-CB 4.16Å; F298-C304 HydrophobicContact CE1-CB 3.36Å; F298-C304 HydrophobicContact CZ-CB 3.59Å; F298-C304 WeakPolarHBondContact CZ-SG 3.32Å
305	F	96.6	Very high	95.6	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.3	162.6	-61.6	-98.9	0	0	0	108.4	L23 I48 L113 V191 L192 V193 Y296 S297	L23-F305 HydrophobicContact CB-CD1 4.22Å; L23-F305 HydrophobicContact CB-CE1 4.45Å; L23-F305 HydrophobicContact CD1-CB 3.87Å; L23-F305 HydrophobicContact CD1-CD1 4.18Å; L23-F305 HydrophobicContact CD1-CD2 3.69Å; L23-F305 HydrophobicContact CD1-CE2 4.24Å; L23-F305 HydrophobicContact CD1-CG 3.65Å; L23-F305 HydrophobicContact CD2-CB 3.6Å; L23-F305 HydrophobicContact CD2-CD1 4.14Å; L23-F305 HydrophobicContact CD2-CG 3.98Å; L23-F305 HydrophobicContact CG-CB 4.32Å; L23-F305 HydrophobicContact CG-CD1 4.41Å; L23-F305 HydrophobicContact CG-CG 4.25Å; I48-F305 HydrophobicContact CD1-CD1 3.77Å; I48-F305 HydrophobicContact CD1-CE1 3.62Å; L113-F305 HydrophobicContact CD2-CZ 4.14Å; V191-F305 HydrophobicContact CG1-CB 4.23Å; V191-F305 HydrophobicContact CG1-CD1 3.94Å; L192-F305 CarbonylContact O-C 3.56Å; L192-F305 WeakPolarHBondContact O-CA 3.48Å; V193-F305 HydrophobicContact CB-CD1 4.36Å; V193-F305 HydrophobicContact CB-CE1 4.35Å; V193-F305 HydrophobicContact CG1-CD1 4.06Å; V193-F305 HydrophobicContact CG1-CE1 3.77Å; V193-F305 HydrophobicContact CG1-CZ 4.17Å; V193-F305 HydrophobicContact CG2-CD1 3.7Å; V193-F305 HydrophobicContact CG2-CE1 3.71Å; Y296-F305 CarbonylContact C-O 3.5Å; Y296-F305 WeakPolarHBondContact CA-O 3.4Å; S297-F305 PolarHBondContact N-O 2.71Å; S297-F305 PolarHBondContact O-N 3.1Å
306	V	98.4	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.9	173	-178.8	0	0	0	0	108.8	V191 L192 L194 V294 A295 F316	V191-V306 CarbonylContact C-O 3.59Å; V191-V306 WeakPolarHBondContact CA-O 3.25Å; L192-V306 HydrophobicContact CB-CB 4.21Å; L192-V306 HydrophobicContact CD1-CB 4.26Å; L192-V306 HydrophobicContact CD1-CG1 4.33Å; L192-V306 WeakPolarHBondContact CD1-O 3.33Å; L192-V306 PolarHBondContact N-O 3.22Å; L192-V306 PolarHBondContact O-N 2.9Å; L194-V306 HydrophobicContact CD1-CG2 3.73Å; L194-V306 HydrophobicContact CG-CG2 4.31Å; V294-V306 HydrophobicContact CB-CG1 3.89Å; V294-V306 HydrophobicContact CG1-CG1 4.41Å; A295-V306 CarbonylContact O-C 3.59Å; A295-V306 VanDerWaalsContact O-CA 3.29Å; A295-V306 WeakPolarHBondContact O-CA 3.33Å; V306-F316 HydrophobicContact CB-CE1 4.32Å; V306-F316 HydrophobicContact CG1-CD1 4.22Å; V306-F316 HydrophobicContact CG1-CE1 3.77Å; V306-F316 HydrophobicContact CG1-CZ 4.35Å; V306-F316 HydrophobicContact CG2-CE1 4.1Å
307	I	98.4	Very high	95.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.7	174.9	-49.8	-179.8	0	0	0	107.8	L23 L25 I46 L189 C190 F243 V250 V294 A295	L23-I307 HydrophobicContact CD2-CD1 3.97Å; L23-I307 HydrophobicContact CD2-CG1 4.11Å; L25-I307 HydrophobicContact CD2-CD1 3.34Å; I46-I307 HydrophobicContact CD1-CD1 4.28Å; L189-I307 HydrophobicContact CD1-CG2 3.63Å; L189-I307 HydrophobicContact CD2-CG2 4.12Å; L189-I307 HydrophobicContact CG-CG2 3.91Å; C190-I307 WeakPolarHBondContact O-CA 3.18Å; F243-I307 HydrophobicContact CE2-CG2 4.17Å; F243-I307 WeakPolarHBondContact CZ-O 3.47Å; V250-I307 HydrophobicContact CG1-CD1 3.97Å; V250-I307 HydrophobicContact CG2-CD1 4.29Å; V294-I307 CarbonylContact C-O 3.48Å; V294-I307 WeakPolarHBondContact CA-O 3.28Å; A295-I307 PolarHBondContact N-O 3.22Å; A295-I307 PolarHBondContact O-N 3.38Å
308	C	98.4	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	177.8	175.7	73	0	0	0	0	110.7	C190 L192 R293 V294 E312	C190-C308 PolarHBondContact N-O 2.99Å; C190-C308 PolarHBondContact O-N 3.33Å; L192-C308 WeakPolarHBondContact CD1-SG 3.35Å; R293-C308 WeakPolarHBondContact O-CB 3.41Å; V294-C308 HydrophobicContact CB-CB 4.41Å; V294-C308 HydrophobicContact CG1-CB 3.79Å; C308-E312 HydrophobicContact CB-CB 4.14Å
309	R	97.3	Very high	95.2	Very high	90 Å²	90	23 Å²	23	34%	0.34	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	151.2	165	-65.3	-176.2	-178.6	95.9	-6.3	110.3	E188 F243 S311 E312	E188-R309 CarbonylContact O-C 3.56Å; E188-R309 WeakPolarHBondContact O-CA 3.31Å; F243-R309 VanDerWaalsContact CB-NH2 3.34Å; R309-S311 PolarHBondContact O-N 3.46Å; R309-E312 WeakPolarHBondContact O-CA 3.5Å; R309-E312 VanDerWaalsContact O-CB 3.28Å; R309-E312 WeakPolarHBondContact O-CB 3.22Å; R309-E312 PolarHBondContact O-N 3.3Å
310	Q	94.8	Very high	95.2	Very high	74 Å²	74	21.6 Å²	21.6	35%	0.346	11%	0.113	S	C	.	.	H	α-helix	trans	-54.8	-41.6	179.6	-170.5	-179.8	-8.5	0	0	111.5	E188 C190 E312 V313 W336	E188-Q310 PolarHBondContact O-N 2.84Å; C190-Q310 VanDerWaalsContact SG-CB 3.57Å; Q310-E312 PolarHBondContact O-N 2.92Å; Q310-E312 VanDerWaalsContact O-N 3.13Å; Q310-V313 WeakPolarHBondContact O-CB 3.36Å; Q310-V313 WeakPolarHBondContact O-CG2 3.39Å; Q310-V313 PolarHBondContact O-N 3.27Å; Q310-V313 VanDerWaalsContact O-N 3.14Å; Q310-W336 HydrophobicContact CG-CZ3 4.45Å
311	S	94.8	Very high	95.3	Very high	74 Å²	74	22.3 Å²	22.3	52%	0.517	12%	0.117	S	C	.	.	H	α-helix	trans	-62.7	-16.2	176.4	61.3	0	0	0	0	114.1	R309 H315	R309-S311 PolarHBondContact O-N 3.46Å; S311-H315 PolarHBondContact O-CD2 2.98Å
312	E	96.5	Very high	95.4	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-91.4	-16.2	179.8	-156.9	64.5	-159.6	0	0	112.3	Y285 R293 V294 C308 R309 Q310 E314 H315 F316	Y285-E312 HydrophobicContact CE1-CG 4.42Å; Y285-E312 WeakPolarHBondContact CE1-OE1 3.5Å; Y285-E312 VanDerWaalsContact CZ-OE1 3.31Å; Y285-E312 PolarHBondContact OH-OE1 3.06Å; R293-E312 HydrophobicContact CB-CG 4.06Å; R293-E312 WeakPolarHBondContact CD-OE1 3.44Å; R293-E312 IonicContact NH1-OE1 3.39Å; R293-E312 PolarHBondContact NH1-OE1 2.96Å; R293-E312 IonicContact NH1-OE2 3.56Å; R293-E312 PolarHBondContact NH1-OE2 3.37Å; V294-E312 HydrophobicContact CG1-CG 4.04Å; C308-E312 HydrophobicContact CB-CB 4.14Å; R309-E312 WeakPolarHBondContact O-CA 3.5Å; R309-E312 VanDerWaalsContact O-CB 3.28Å; R309-E312 WeakPolarHBondContact O-CB 3.22Å; R309-E312 PolarHBondContact O-N 3.3Å; Q310-E312 PolarHBondContact O-N 2.92Å; Q310-E312 VanDerWaalsContact O-N 3.13Å; E312-E314 VanDerWaalsContact C-N 3.35Å; E312-E314 PolarHBondContact O-N 2.98Å; E312-H315 PolarHBondContact O-N 3.15Å; E312-F316 WeakPolarHBondContact O-CB 3.32Å; E312-F316 PolarHBondContact O-N 3.37Å
313	V	95.2	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-46.8	-177.4	176.9	0	0	0	0	110.9	C190 L192 Q310 H315 F316 L317 W336 V364	C190-V313 HydrophobicContact CB-CG2 4.28Å; L192-V313 HydrophobicContact CD1-CG2 4.37Å; Q310-V313 WeakPolarHBondContact O-CB 3.36Å; Q310-V313 WeakPolarHBondContact O-CG2 3.39Å; Q310-V313 PolarHBondContact O-N 3.27Å; Q310-V313 VanDerWaalsContact O-N 3.14Å; V313-H315 PolarHBondContact O-N 3.09Å; V313-F316 PolarHBondContact O-N 3.34Å; V313-L317 HydrophobicContact CG1-CD1 3.53Å; V313-L317 HydrophobicContact CG1-CG 3.95Å; V313-L317 WeakPolarHBondContact O-CB 3.47Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 3.27Å; V313-W336 HydrophobicContact CB-CH2 3.71Å; V313-W336 HydrophobicContact CB-CZ2 4.11Å; V313-W336 HydrophobicContact CB-CZ3 3.93Å; V313-W336 HydrophobicContact CG1-CD2 3.88Å; V313-W336 HydrophobicContact CG1-CE3 3.8Å; V313-W336 HydrophobicContact CG1-CH2 3.73Å; V313-W336 HydrophobicContact CG1-CZ2 3.82Å; V313-W336 HydrophobicContact CG1-CZ3 3.71Å; V313-W336 HydrophobicContact CG2-CH2 4.46Å; V313-W336 HydrophobicContact CG2-CZ3 4.3Å; V313-V364 HydrophobicContact CG1-CG1 4.16Å; V313-V364 HydrophobicContact CG1-CG2 4.13Å; V313-V364 HydrophobicContact CG2-CG1 4.3Å
314	E	93.3	Very high	95.7	Very high	98 Å²	98	26 Å²	26	46%	0.458	12%	0.124	S	C	.	.	H	α-helix	trans	-63.6	-21.8	178.3	60.4	167.9	175.1	0	0	113.7	E312 P318 W336	E312-E314 VanDerWaalsContact C-N 3.35Å; E312-E314 PolarHBondContact O-N 2.98Å; E314-P318 VanDerWaalsContact O-CD 3.25Å; E314-P318 WeakPolarHBondContact O-CD 3.48Å; E314-P318 VanDerWaalsContact O-CG 3.31Å; E314-P318 WeakPolarHBondContact O-CG 3.5Å; E314-W336 HydrophobicContact CB-CZ2 4.42Å
315	H	95.3	Very high	95.4	Very high	42 Å²	42	26.4 Å²	26.4	19%	0.194	13%	0.129	C	C	.	.	H	α-helix	trans	-96.4	-31.7	-178.9	-61.3	-37.9	0	0	0	113	Y285 S311 E312 V313 Y319 R345	Y285-H315 WeakPolarHBondContact OH-CB 3.34Å; S311-H315 PolarHBondContact O-CD2 2.98Å; E312-H315 PolarHBondContact O-N 3.15Å; V313-H315 PolarHBondContact O-N 3.09Å; H315-Y319 WeakPolarHBondContact O-CD2 3.39Å; H315-R345 PolarHBondContact CD2-NH1 2.55Å; H315-R345 PolarHBondContact NE2-NH1 2.89Å
316	F	97.2	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-88.7	-36.3	-178.5	-175.3	-107.6	0	0	0	113.2	L192 L281 V282 Y285 V294 V306 E312 V313 P318 Y319 V320	L192-F316 HydrophobicContact CD2-CD1 4.27Å; L281-F316 HydrophobicContact CD2-CE2 4.37Å; L281-F316 HydrophobicContact CD2-CZ 4.24Å; L281-F316 HydrophobicContact CG-CE2 4.28Å; L281-F316 HydrophobicContact CG-CZ 4.47Å; V282-F316 HydrophobicContact CG2-CE2 4.37Å; V282-F316 HydrophobicContact CG2-CZ 3.89Å; Y285-F316 HydrophobicContact CD1-CD2 4.04Å; Y285-F316 HydrophobicContact CD1-CE2 4.49Å; Y285-F316 AromaticContact CD2-CD2 3.79Å; Y285-F316 HydrophobicContact CD2-CD2 3.79Å; Y285-F316 HydrophobicContact CD2-CE2 4.27Å; Y285-F316 HydrophobicContact CE1-CD2 4.15Å; Y285-F316 AromaticContact CE2-CD2 3.89Å; Y285-F316 HydrophobicContact CE2-CD2 3.89Å; Y285-F316 AromaticContact CG-CD2 3.86Å; Y285-F316 HydrophobicContact CG-CD2 3.86Å; Y285-F316 HydrophobicContact CG-CE2 4.1Å; V294-F316 HydrophobicContact CB-CD2 4.39Å; V294-F316 HydrophobicContact CB-CE2 4.43Å; V294-F316 HydrophobicContact CG1-CB 4.05Å; V294-F316 HydrophobicContact CG1-CD1 4.24Å; V294-F316 HydrophobicContact CG1-CD2 3.8Å; V294-F316 HydrophobicContact CG1-CE2 4.32Å; V294-F316 HydrophobicContact CG1-CG 3.76Å; V294-F316 HydrophobicContact CG2-CD2 4Å; V294-F316 HydrophobicContact CG2-CE2 3.78Å; V294-F316 HydrophobicContact CG2-CZ 4.28Å; V306-F316 HydrophobicContact CB-CE1 4.32Å; V306-F316 HydrophobicContact CG1-CD1 4.22Å; V306-F316 HydrophobicContact CG1-CE1 3.77Å; V306-F316 HydrophobicContact CG1-CZ 4.35Å; V306-F316 HydrophobicContact CG2-CE1 4.1Å; E312-F316 WeakPolarHBondContact O-CB 3.32Å; E312-F316 PolarHBondContact O-N 3.37Å; V313-F316 PolarHBondContact O-N 3.34Å; F316-P318 VanDerWaalsContact C-CD 3.45Å; F316-Y319 WeakPolarHBondContact O-CB 3.42Å; F316-Y319 PolarHBondContact O-N 3.11Å; F316-V320 HydrophobicContact CD1-CG2 3.79Å; F316-V320 HydrophobicContact CE1-CG2 3.31Å; F316-V320 HydrophobicContact CZ-CG2 3.78Å; F316-V320 PolarHBondContact O-N 3.02Å
317	L	94.5	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-39.1	177.7	-78.4	-179	0	0	0	114.6	L192 V313 Y319 V320 C321 I340 V362 V364	L192-L317 HydrophobicContact CD2-CD2 3.52Å; L192-L317 HydrophobicContact CD2-CG 3.96Å; V313-L317 HydrophobicContact CG1-CD1 3.53Å; V313-L317 HydrophobicContact CG1-CG 3.95Å; V313-L317 WeakPolarHBondContact O-CB 3.47Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 3.27Å; L317-Y319 PolarHBondContact O-N 2.88Å; L317-V320 PolarHBondContact O-N 3.32Å; L317-C321 PolarHBondContact O-N 3.41Å; L317-C321 PolarHBondContact O-SG 2.75Å; L317-I340 HydrophobicContact CB-CG2 4.18Å; L317-I340 HydrophobicContact CD1-CD1 4.48Å; L317-I340 HydrophobicContact CD1-CG1 4.45Å; L317-V362 HydrophobicContact CD2-CG1 3.76Å; L317-V364 HydrophobicContact CD1-CG2 4.31Å
318	P	93.9	Very high	91.4	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-37.7	173.6	-27.6	35.5	0	0	0	113.2	E314 F316 Y322 I340 G341 L344	E314-P318 VanDerWaalsContact O-CD 3.25Å; E314-P318 WeakPolarHBondContact O-CD 3.48Å; E314-P318 VanDerWaalsContact O-CG 3.31Å; E314-P318 WeakPolarHBondContact O-CG 3.5Å; F316-P318 VanDerWaalsContact C-CD 3.45Å; P318-Y322 WeakPolarHBondContact O-CB 3.27Å; P318-Y322 PolarHBondContact O-N 2.83Å; P318-I340 HydrophobicContact CG-CG2 4.5Å; P318-G341 WeakPolarHBondContact CB-O 3.4Å; P318-G341 WeakPolarHBondContact CG-O 3.29Å; P318-L344 HydrophobicContact CB-CD2 4.43Å
319	Y	96.6	Very high	90.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-48.5	175.6	-74.6	-104.2	0	0	0	110.9	L281 Y285 H315 F316 L317 C321 Y322 Y323 L344 R345 F346 G347 V349	L281-Y319 HydrophobicContact CD1-CD1 4.11Å; Y285-Y319 HydrophobicContact CD2-CD1 4.01Å; Y285-Y319 AromaticContact CD2-CD2 3.92Å; Y285-Y319 HydrophobicContact CD2-CD2 3.92Å; Y285-Y319 HydrophobicContact CD2-CE1 4.02Å; Y285-Y319 AromaticContact CD2-CE2 3.93Å; Y285-Y319 HydrophobicContact CD2-CE2 3.93Å; Y285-Y319 AromaticContact CD2-CG 3.97Å; Y285-Y319 HydrophobicContact CD2-CG 3.97Å; Y285-Y319 AromaticContact CD2-CZ 3.99Å; Y285-Y319 AromaticContact CE2-CD2 3.6Å; Y285-Y319 HydrophobicContact CE2-CD2 3.6Å; Y285-Y319 HydrophobicContact CE2-CE1 4.42Å; Y285-Y319 AromaticContact CE2-CE2 3.5Å; Y285-Y319 HydrophobicContact CE2-CE2 3.5Å; Y285-Y319 VanDerWaalsContact CE2-CE2 3.5Å; Y285-Y319 HydrophobicContact CE2-CG 4.13Å; Y285-Y319 AromaticContact CE2-CZ 3.94Å; H315-Y319 WeakPolarHBondContact O-CD2 3.39Å; F316-Y319 WeakPolarHBondContact O-CB 3.42Å; F316-Y319 PolarHBondContact O-N 3.11Å; L317-Y319 PolarHBondContact O-N 2.88Å; Y319-C321 VanDerWaalsContact C-N 3.3Å; Y319-C321 PolarHBondContact O-N 3.49Å; Y319-Y322 PolarHBondContact O-N 2.92Å; Y319-Y323 HydrophobicContact CD1-CE2 4.14Å; Y319-Y323 WeakPolarHBondContact O-CD2 3.22Å; Y319-Y323 PolarHBondContact O-N 3.28Å; Y319-L344 HydrophobicContact CD1-CD2 3.92Å; Y319-L344 HydrophobicContact CD2-CD2 3.77Å; Y319-L344 HydrophobicContact CE1-CB 4.08Å; Y319-L344 HydrophobicContact CE1-CD2 4.11Å; Y319-L344 HydrophobicContact CE2-CB 4.05Å; Y319-L344 HydrophobicContact CE2-CD2 3.97Å; Y319-L344 HydrophobicContact CG-CD2 3.74Å; Y319-L344 PolarHBondContact OH-O 3.16Å; Y319-R345 PolarHBondContact OH-N 2.71Å; Y319-F346 WeakPolarHBondContact OH-CA 3.4Å; Y319-F346 PolarHBondContact OH-N 3.5Å; Y319-G347 WeakPolarHBondContact CE1-O 3.39Å; Y319-G347 PolarHBondContact OH-N 3.02Å; Y319-G347 PolarHBondContact OH-O 3.28Å; Y319-V349 HydrophobicContact CD1-CG2 4.05Å; Y319-V349 HydrophobicContact CE1-CG2 3.96Å
320	V	95.6	Very high	88.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-45.3	178	170.3	0	0	0	0	111	L194 L281 F316 L317 F324 L359	L194-V320 HydrophobicContact CD1-CG1 4.07Å; L194-V320 HydrophobicContact CD1-CG2 4.02Å; L194-V320 HydrophobicContact CD2-CG1 4.1Å; L281-V320 HydrophobicContact CD2-CG2 4.27Å; F316-V320 HydrophobicContact CD1-CG2 3.79Å; F316-V320 HydrophobicContact CE1-CG2 3.31Å; F316-V320 HydrophobicContact CZ-CG2 3.78Å; F316-V320 PolarHBondContact O-N 3.02Å; L317-V320 PolarHBondContact O-N 3.32Å; V320-F324 HydrophobicContact CG1-CD2 4.37Å; V320-F324 WeakPolarHBondContact O-CB 3.43Å; V320-F324 WeakPolarHBondContact O-CD2 3.2Å; V320-F324 PolarHBondContact O-N 3.47Å; V320-L359 HydrophobicContact CG1-CD2 3.4Å
321	C	93	Very high	87.8	Confident	24 Å²	24	47.6 Å²	47.6	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-42.2	177.1	-62.3	0	0	0	0	112.1	L317 Y319 Y323 G325	L317-C321 PolarHBondContact O-N 3.41Å; L317-C321 PolarHBondContact O-SG 2.75Å; Y319-C321 VanDerWaalsContact C-N 3.3Å; Y319-C321 PolarHBondContact O-N 3.49Å; C321-Y323 VanDerWaalsContact C-N 3.34Å; C321-Y323 PolarHBondContact O-N 2.8Å; C321-G325 VanDerWaalsContact O-CA 3.25Å; C321-G325 WeakPolarHBondContact O-CA 3.34Å; C321-G325 PolarHBondContact O-N 2.75Å
322	Y	93.4	Very high	87.1	Confident	110 Å²	110	48.5 Å²	48.5	43%	0.431	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-36.9	178.9	177	-93.6	0	0	0	113.2	P318 Y319 L344 Q354	P318-Y322 WeakPolarHBondContact O-CB 3.27Å; P318-Y322 PolarHBondContact O-N 2.83Å; Y319-Y322 PolarHBondContact O-N 2.92Å; Y322-L344 HydrophobicContact CD1-CD1 3.93Å; Y322-L344 HydrophobicContact CD2-CD1 4.23Å; Y322-L344 HydrophobicContact CE1-CD1 4.11Å; Y322-L344 HydrophobicContact CE2-CD1 4.39Å; Y322-L344 HydrophobicContact CG-CD1 4Å; Y322-L344 HydrophobicContact CG-CD2 4.34Å; Y322-Q354 PolarHBondContact O-NE2 3.09Å; Y322-Q354 PolarHBondContact OH-NE2 3.2Å
323	Y	95.3	Very high	86.4	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-88.5	-29.2	-178.2	-76	-76.8	0	0	0	114	L281 Y319 C321 V349 V352 Q354 L355	L281-Y323 HydrophobicContact CD1-CD2 3.58Å; L281-Y323 HydrophobicContact CD1-CE2 3.6Å; L281-Y323 HydrophobicContact CD1-CG 4.46Å; L281-Y323 HydrophobicContact CD2-CD2 4.15Å; L281-Y323 HydrophobicContact CG-CD2 4.48Å; Y319-Y323 HydrophobicContact CD1-CE2 4.14Å; Y319-Y323 WeakPolarHBondContact O-CD2 3.22Å; Y319-Y323 PolarHBondContact O-N 3.28Å; C321-Y323 VanDerWaalsContact C-N 3.34Å; C321-Y323 PolarHBondContact O-N 2.8Å; Y323-V349 HydrophobicContact CE2-CB 4.48Å; Y323-V349 WeakPolarHBondContact OH-CA 3.28Å; Y323-V349 PolarHBondContact OH-N 2.9Å; Y323-V349 PolarHBondContact OH-O 3.28Å; Y323-V352 HydrophobicContact CD1-CB 4.01Å; Y323-V352 HydrophobicContact CD1-CG1 3.46Å; Y323-V352 VanDerWaalsContact CD1-CG1 3.46Å; Y323-V352 HydrophobicContact CE1-CB 3.65Å; Y323-V352 HydrophobicContact CE1-CG1 3.67Å; Y323-V352 HydrophobicContact CG-CG1 3.95Å; Y323-Q354 HydrophobicContact CD1-CG 3.93Å; Y323-Q354 HydrophobicContact CE1-CG 4.47Å; Y323-Q354 CarbonylContact O-C 3.6Å; Y323-Q354 WeakPolarHBondContact O-CA 3.22Å; Y323-L355 PolarHBondContact O-N 3.27Å
324	F	94.9	Very high	85.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-130.4	-12.7	-168.6	-51.2	-60.6	0	0	0	115.3	F274 Q277 L278 L281 V320 L355 N357 S358 L359	F274-F324 HydrophobicContact CD2-CB 4.48Å; F274-F324 AromaticContact CD2-CD1 3.88Å; F274-F324 HydrophobicContact CD2-CD1 3.88Å; F274-F324 HydrophobicContact CD2-CE1 4.34Å; F274-F324 HydrophobicContact CD2-CG 4.12Å; F274-F324 HydrophobicContact CE2-CB 3.97Å; F274-F324 HydrophobicContact CE2-CD1 4.04Å; F274-F324 HydrophobicContact CE2-CD2 4.18Å; F274-F324 AromaticContact CE2-CG 3.78Å; F274-F324 HydrophobicContact CE2-CG 3.78Å; Q277-F324 HydrophobicContact CB-CE1 3.59Å; Q277-F324 HydrophobicContact CB-CZ 3.83Å; L278-F324 HydrophobicContact CD2-CD2 3.96Å; L278-F324 HydrophobicContact CD2-CE2 3.36Å; L278-F324 HydrophobicContact CD2-CZ 4.08Å; L278-F324 HydrophobicContact CG-CD2 4.25Å; L278-F324 HydrophobicContact CG-CE2 3.6Å; L278-F324 HydrophobicContact CG-CZ 3.85Å; L281-F324 HydrophobicContact CD2-CD2 4.49Å; L281-F324 HydrophobicContact CD2-CE2 3.62Å; L281-F324 HydrophobicContact CD2-CZ 4.36Å; V320-F324 HydrophobicContact CG1-CD2 4.37Å; V320-F324 WeakPolarHBondContact O-CB 3.43Å; V320-F324 WeakPolarHBondContact O-CD2 3.2Å; V320-F324 PolarHBondContact O-N 3.47Å; F324-L355 WeakPolarHBondContact CA-O 3.47Å; F324-L355 HydrophobicContact CD1-CB 4.15Å; F324-L355 HydrophobicContact CD1-CD1 4.4Å; F324-L355 HydrophobicContact CE1-CD1 4.24Å; F324-N357 PolarHBondContact O-N 2.9Å; F324-S358 WeakPolarHBondContact CD1-OG 3.42Å; F324-S358 PolarHBondContact O-N 3.08Å; F324-L359 HydrophobicContact CB-CB 3.71Å; F324-L359 HydrophobicContact CB-CD2 4.49Å; F324-L359 WeakPolarHBondContact O-CB 3.3Å; F324-L359 PolarHBondContact O-N 3.03Å
325	G	89.4	Confident	85.5	Confident	9 Å²	9	50 Å²	50	9%	0.093	27%	0.273	C	S	.	.	S	Bend	trans	-84.4	-178.7	174.1	0	0	0	0	0	112.3	C321	C321-G325 VanDerWaalsContact O-CA 3.25Å; C321-G325 WeakPolarHBondContact O-CA 3.34Å; C321-G325 PolarHBondContact O-N 2.75Å
326	D	78.3	Confident	85.1	Confident	50 Å²	50	50 Å²	50	27%	0.267	27%	0.271	S	S	.	.			trans	-110.3	152.2	166	-160	-32.7	0	0	0	109.6	D328 D329 N357	D326-D328 VanDerWaalsContact C-N 3.28Å; D326-D328 PolarHBondContact OD1-N 2.76Å; D326-D329 HydrophobicContact CB-CB 4.16Å; D326-N357 VanDerWaalsContact CB-OD1 3.32Å; D326-N357 WeakPolarHBondContact CB-OD1 3.31Å; D326-N357 PolarHBondContact OD2-ND2 3.49Å; D326-N357 PolarHBondContact OD2-OD1 3.4Å
327	I	64.4	Low	84.5	Confident	161 Å²	161	57 Å²	57	83%	0.826	31%	0.314	S	S	*	.	S	Bend	trans	-66.5	-37.2	171.6	-63.2	172.9	0	0	0	109.6
328	D	68.3	Low	84	Confident	153 Å²	153	62.3 Å²	62.3	82%	0.818	34%	0.339	S	S	*	.	S	Bend	trans	-91.3	-25.5	-175.3	-66.6	-30.7	0	0	0	113.1	D326	D326-D328 VanDerWaalsContact C-N 3.28Å; D326-D328 PolarHBondContact OD1-N 2.76Å
329	D	69.9	Low	83.5	Confident	115 Å²	115	70.4 Å²	70.4	62%	0.615	38%	0.376	S	S	*	.	S	Bend	trans	-129.2	86.6	-179.8	-163.3	19.4	0	0	0	110.2	D326	D326-D329 HydrophobicContact CB-CB 4.16Å
330	R	70.6	Confident	82.9	Confident	124 Å²	124	71.5 Å²	71.5	47%	0.468	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.7	178	-70.4	-156.5	-167.8	-168.6	10.3	110	I340	R330-I340 PolarHBondContact NH1-O 3.08Å
331	P	73.6	Confident	82.4	Confident	13 Å²	13	73.5 Å²	73.5	8%	0.084	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.1	143.9	177.5	28.2	-36.8	0	0	0	110.6	V333 L359 V362	P331-V333 WeakPolarHBondContact O-CG2 3.46Å; P331-V333 PolarHBondContact O-N 2.76Å; P331-L359 HydrophobicContact CB-CD2 4.01Å; P331-L359 HydrophobicContact CB-CG 4.06Å; P331-L359 HydrophobicContact CG-CD2 3.9Å; P331-L359 HydrophobicContact CG-CG 4.49Å; P331-V362 HydrophobicContact CB-CG2 4.4Å; P331-V362 HydrophobicContact CG-CG2 4.49Å
332	V	79.4	Confident	82.1	Confident	92 Å²	92	77.8 Å²	77.8	56%	0.558	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.1	169.4	178.2	0	0	0	0	107.9	L361 V362	V332-L361 HydrophobicContact CB-CD1 3.75Å; V332-L361 HydrophobicContact CG1-CD1 3.74Å; V332-L361 WeakPolarHBondContact O-CD1 2.99Å; V332-V362 PolarHBondContact O-N 3.05Å
333	V	81.7	Confident	82	Confident	34 Å²	34	76.7 Å²	76.7	21%	0.206	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.7	176.7	-173.2	0	0	0	0	109.7	P331 W336 I340 V362 V364	P331-V333 WeakPolarHBondContact O-CG2 3.46Å; P331-V333 PolarHBondContact O-N 2.76Å; V333-W336 HydrophobicContact CG1-CB 3.62Å; V333-W336 HydrophobicContact CG1-CG 4.43Å; V333-I340 HydrophobicContact CB-CD1 4.14Å; V333-I340 HydrophobicContact CG1-CD1 4.44Å; V333-I340 HydrophobicContact CG2-CD1 3.34Å; V333-V362 CarbonylContact C-O 3.58Å; V333-V362 WeakPolarHBondContact CA-O 3.28Å; V333-V362 HydrophobicContact CB-CB 4.39Å; V333-V362 HydrophobicContact CG1-CB 4.14Å; V333-V362 HydrophobicContact CG1-CG1 4.06Å; V333-V362 HydrophobicContact CG2-CB 3.92Å; V333-V362 HydrophobicContact CG2-CG2 4.32Å; V333-V364 HydrophobicContact CG1-CG2 4.26Å
334	C	84.8	Confident	82	Confident	53 Å²	53	77.6 Å²	77.6	36%	0.358	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.9	177.9	-66	0	0	0	0	110.2	W336 V362 V363 V364	C334-W336 PolarHBondContact O-N 2.97Å; C334-V362 PolarHBondContact N-O 2.76Å; C334-V363 HydrophobicContact CB-CG1 4.49Å; C334-V363 HydrophobicContact CB-CG2 4.27Å; C334-V364 PolarHBondContact O-N 2.79Å
335	G	85.6	Confident	82	Confident	55 Å²	55	83.6 Å²	83.6	57%	0.567	46%	0.464	S	S	*	.	S	Bend	trans	73.2	8.9	178.6	0	0	0	0	0	114.6
336	W	86.3	Confident	82.3	Confident	42 Å²	42	85.8 Å²	85.8	16%	0.159	47%	0.471	C	S	.	.			trans	-130.4	131.6	175.8	-163	-108.1	0	0	0	109.9	Q310 V313 E314 V333 C334 E338 V364	Q310-W336 HydrophobicContact CG-CZ3 4.45Å; V313-W336 HydrophobicContact CB-CH2 3.71Å; V313-W336 HydrophobicContact CB-CZ2 4.11Å; V313-W336 HydrophobicContact CB-CZ3 3.93Å; V313-W336 HydrophobicContact CG1-CD2 3.88Å; V313-W336 HydrophobicContact CG1-CE3 3.8Å; V313-W336 HydrophobicContact CG1-CH2 3.73Å; V313-W336 HydrophobicContact CG1-CZ2 3.82Å; V313-W336 HydrophobicContact CG1-CZ3 3.71Å; V313-W336 HydrophobicContact CG2-CH2 4.46Å; V313-W336 HydrophobicContact CG2-CZ3 4.3Å; E314-W336 HydrophobicContact CB-CZ2 4.42Å; V333-W336 HydrophobicContact CG1-CB 3.62Å; V333-W336 HydrophobicContact CG1-CG 4.43Å; C334-W336 PolarHBondContact O-N 2.97Å; W336-E338 HydrophobicContact CZ2-CB 4.29Å; W336-E338 HydrophobicContact CZ2-CG 4.47Å; W336-E338 WeakPolarHBondContact CZ2-OE2 3.28Å; W336-E338 PolarHBondContact NE1-O 3.31Å; W336-V364 HydrophobicContact CB-CB 4.2Å; W336-V364 HydrophobicContact CB-CG2 3.89Å; W336-V364 HydrophobicContact CD2-CG2 4.46Å; W336-V364 HydrophobicContact CE3-CB 4.23Å; W336-V364 HydrophobicContact CE3-CG1 3.75Å; W336-V364 HydrophobicContact CE3-CG2 4.36Å; W336-V364 HydrophobicContact CG-CG2 4.31Å; W336-V364 HydrophobicContact CZ3-CG1 4.24Å
337	T	84	Confident	83.1	Confident	148 Å²	148	85 Å²	85	91%	0.908	47%	0.474	S	S	*	.			trans	-110.2	-15.6	-175.7	53.1	0	0	0	0	113.6
338	E	85	Confident	84.6	Confident	111 Å²	111	80.6 Å²	80.6	52%	0.519	46%	0.457	S	S	.	.	S	Bend	trans	-81.9	149.2	-179.6	-60.1	177.4	177.9	0	0	110.9	W336 I340	W336-E338 HydrophobicContact CZ2-CB 4.29Å; W336-E338 HydrophobicContact CZ2-CG 4.47Å; W336-E338 WeakPolarHBondContact CZ2-OE2 3.28Å; W336-E338 PolarHBondContact NE1-O 3.31Å; E338-I340 PolarHBondContact O-N 2.91Å
339	E	84.2	Confident	85.9	Confident	176 Å²	176	73.8 Å²	73.8	82%	0.822	42%	0.421	S	S	*	.			trans	-66.4	133.3	177.3	-170.4	178.3	176.5	0	0	110.6	G341	E339-G341 PolarHBondContact O-N 3.2Å
340	I	82.5	Confident	87	Confident	24 Å²	24	78.9 Å²	78.9	12%	0.123	43%	0.432	C	S	.	.			trans	-78.5	110.1	178.1	-56.7	169.6	0	0	0	108.4	L317 P318 R330 V333 E338	L317-I340 HydrophobicContact CB-CG2 4.18Å; L317-I340 HydrophobicContact CD1-CD1 4.48Å; L317-I340 HydrophobicContact CD1-CG1 4.45Å; P318-I340 HydrophobicContact CG-CG2 4.5Å; R330-I340 PolarHBondContact NH1-O 3.08Å; V333-I340 HydrophobicContact CB-CD1 4.14Å; V333-I340 HydrophobicContact CG1-CD1 4.44Å; V333-I340 HydrophobicContact CG2-CD1 3.34Å; E338-I340 PolarHBondContact O-N 2.91Å
341	G	85.3	Confident	88.1	Confident	41 Å²	41	80.2 Å²	80.2	42%	0.423	45%	0.448	S	S	.	.			trans	-63.7	169.4	173.2	0	0	0	0	0	112.9	P318 E339	P318-G341 WeakPolarHBondContact CB-O 3.4Å; P318-G341 WeakPolarHBondContact CG-O 3.29Å; E339-G341 PolarHBondContact O-N 3.2Å
342	T	88.2	Confident	89.2	Confident	115 Å²	115	80.4 Å²	80.4	71%	0.706	45%	0.449	S	S	*	.			trans	-109.4	-2.4	177.4	55.5	0	0	0	0	112.9	L344	T342-L344 PolarHBondContact O-N 3.37Å
343	S	91.4	Very high	90	Very high	86 Å²	86	79 Å²	79	60%	0.601	44%	0.443	S	S	*	.			trans	-72.6	119.6	-176.7	176.8	0	0	0	0	111.4	R345	S343-R345 PolarHBondContact O-N 2.74Å
344	L	94.5	Very high	90.6	Very high	28 Å²	28	81.9 Å²	81.9	15%	0.147	46%	0.455	C	S	.	.			trans	-84.4	87.2	167.8	-56.3	-176.3	0	0	0	108.7	P318 Y319 Y322 T342 F346 G347	P318-L344 HydrophobicContact CB-CD2 4.43Å; Y319-L344 HydrophobicContact CD1-CD2 3.92Å; Y319-L344 HydrophobicContact CD2-CD2 3.77Å; Y319-L344 HydrophobicContact CE1-CB 4.08Å; Y319-L344 HydrophobicContact CE1-CD2 4.11Å; Y319-L344 HydrophobicContact CE2-CB 4.05Å; Y319-L344 HydrophobicContact CE2-CD2 3.97Å; Y319-L344 HydrophobicContact CG-CD2 3.74Å; Y319-L344 PolarHBondContact OH-O 3.16Å; Y322-L344 HydrophobicContact CD1-CD1 3.93Å; Y322-L344 HydrophobicContact CD2-CD1 4.23Å; Y322-L344 HydrophobicContact CE1-CD1 4.11Å; Y322-L344 HydrophobicContact CE2-CD1 4.39Å; Y322-L344 HydrophobicContact CG-CD1 4Å; Y322-L344 HydrophobicContact CG-CD2 4.34Å; T342-L344 PolarHBondContact O-N 3.37Å; L344-F346 PolarHBondContact O-N 3.41Å; L344-G347 PolarHBondContact O-N 2.93Å
345	R	94.9	Very high	91.1	Very high	126 Å²	126	81.3 Å²	81.3	48%	0.475	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-38.9	-171	-179.9	177.4	176.7	168.5	2	115	H315 Y319 S343	H315-R345 PolarHBondContact CD2-NH1 2.55Å; H315-R345 PolarHBondContact NE2-NH1 2.89Å; Y319-R345 PolarHBondContact OH-N 2.71Å; S343-R345 PolarHBondContact O-N 2.74Å
346	F	95.4	Very high	91.4	Very high	54 Å²	54	82.6 Å²	82.6	24%	0.237	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	7.7	-178.1	-49.5	-70.8	0	0	0	113.8	Y285 L288 A289 Y319 L344	Y285-F346 HydrophobicContact CD2-CD2 4.46Å; Y285-F346 HydrophobicContact CE1-CE2 4.16Å; Y285-F346 AromaticContact CE2-CD2 3.95Å; Y285-F346 HydrophobicContact CE2-CD2 3.95Å; Y285-F346 HydrophobicContact CE2-CE2 4.07Å; Y285-F346 AromaticContact CZ-CE2 3.69Å; L288-F346 HydrophobicContact CB-CB 3.7Å; L288-F346 HydrophobicContact CB-CG 4.39Å; L288-F346 HydrophobicContact CD1-CB 4.24Å; A289-F346 HydrophobicContact CB-CD2 4.31Å; A289-F346 HydrophobicContact CB-CE1 4.31Å; A289-F346 HydrophobicContact CB-CE2 3.83Å; A289-F346 HydrophobicContact CB-CZ 3.83Å; Y319-F346 WeakPolarHBondContact OH-CA 3.4Å; Y319-F346 PolarHBondContact OH-N 3.5Å; L344-F346 PolarHBondContact O-N 3.41Å
347	G	95.7	Very high	91.5	Very high	33 Å²	33	84.8 Å²	84.8	34%	0.34	46%	0.461	S	S	.	.			trans	83.6	178.5	-171	0	0	0	0	0	113.2	Y319 L344	Y319-G347 WeakPolarHBondContact CE1-O 3.39Å; Y319-G347 PolarHBondContact OH-N 3.02Å; Y319-G347 PolarHBondContact OH-O 3.28Å; L344-G347 PolarHBondContact O-N 2.93Å
348	C	95.3	Very high	91.9	Very high	70 Å²	70	78.8 Å²	78.8	47%	0.473	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-68.8	137.6	-179.4	-60.1	0	0	0	0	111.9
349	V	96.5	Very high	92.2	Very high	9 Å²	9	74 Å²	74	6%	0.055	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-73.8	129.2	170.9	-174.3	0	0	0	0	109.9	L281 L288 Y319 Y323 V352	L281-V349 HydrophobicContact CD1-CB 4.18Å; L281-V349 HydrophobicContact CD1-CG2 3.77Å; L288-V349 HydrophobicContact CD1-CG2 3.94Å; Y319-V349 HydrophobicContact CD1-CG2 4.05Å; Y319-V349 HydrophobicContact CE1-CG2 3.96Å; Y323-V349 HydrophobicContact CE2-CB 4.48Å; Y323-V349 WeakPolarHBondContact OH-CA 3.28Å; Y323-V349 PolarHBondContact OH-N 2.9Å; Y323-V349 PolarHBondContact OH-O 3.28Å; V349-V352 HydrophobicContact CB-CG2 3.98Å; V349-V352 HydrophobicContact CG1-CG2 3.56Å
350	R	92.9	Very high	92.3	Very high	223 Å²	223	72.2 Å²	72.2	84%	0.842	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	152.4	177.9	-62	-178.9	-177.8	179	1.5	110.4	V352	R350-V352 PolarHBondContact O-N 3.37Å; R350-V352 VanDerWaalsContact O-N 3.17Å
351	N	92.9	Very high	92.6	Very high	151 Å²	151	72.2 Å²	72.2	81%	0.807	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	17.2	175.6	-52	-38.6	0	0	0	115.8
352	V	97	Very high	92.9	Very high	17 Å²	17	70.3 Å²	70.3	10%	0.103	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-101.8	122.4	168.8	-176.1	0	0	0	0	107.9	Q277 F280 L281 Y323 V349 R350	Q277-V352 HydrophobicContact CB-CG1 4.48Å; F280-V352 HydrophobicContact CB-CG2 3.86Å; L281-V352 HydrophobicContact CB-CG1 4.25Å; L281-V352 HydrophobicContact CB-CG2 4.32Å; Y323-V352 HydrophobicContact CD1-CB 4.01Å; Y323-V352 HydrophobicContact CD1-CG1 3.46Å; Y323-V352 VanDerWaalsContact CD1-CG1 3.46Å; Y323-V352 HydrophobicContact CE1-CB 3.65Å; Y323-V352 HydrophobicContact CE1-CG1 3.67Å; Y323-V352 HydrophobicContact CG-CG1 3.95Å; V349-V352 HydrophobicContact CB-CG2 3.98Å; V349-V352 HydrophobicContact CG1-CG2 3.56Å; R350-V352 PolarHBondContact O-N 3.37Å; R350-V352 VanDerWaalsContact O-N 3.17Å
353	S	96.3	Very high	93.1	Very high	62 Å²	62	64.8 Å²	64.8	43%	0.434	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-81.4	136.1	174.2	-56.7	0	0	0	0	109.6
354	Q	94.9	Very high	93.2	Very high	96 Å²	96	61 Å²	61	45%	0.449	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-70.2	137.3	168.1	-68.4	-174.7	-23.5	0	0	109.4	Y322 Y323	Y322-Q354 PolarHBondContact O-NE2 3.09Å; Y322-Q354 PolarHBondContact OH-NE2 3.2Å; Y323-Q354 HydrophobicContact CD1-CG 3.93Å; Y323-Q354 HydrophobicContact CE1-CG 4.47Å; Y323-Q354 CarbonylContact O-C 3.6Å; Y323-Q354 WeakPolarHBondContact O-CA 3.22Å
355	L	94.2	Very high	93.2	Very high	41 Å²	41	59.7 Å²	59.7	22%	0.215	30%	0.302	C	S	.	.			trans	-126.1	79.1	172	-56.2	171.6	0	0	0	107.3	E273 F274 Q277 Y323 F324 N357 S358	E273-L355 HydrophobicContact CG-CD1 3.95Å; E273-L355 HydrophobicContact CG-CD2 4.05Å; F274-L355 HydrophobicContact CB-CD1 4.38Å; Q277-L355 HydrophobicContact CB-CD1 4.09Å; Q277-L355 HydrophobicContact CG-CD1 3.7Å; Q277-L355 HydrophobicContact CG-CG 4.19Å; Y323-L355 PolarHBondContact O-N 3.27Å; F324-L355 WeakPolarHBondContact CA-O 3.47Å; F324-L355 HydrophobicContact CD1-CB 4.15Å; F324-L355 HydrophobicContact CD1-CD1 4.4Å; F324-L355 HydrophobicContact CE1-CD1 4.24Å; L355-N357 PolarHBondContact O-N 3.5Å; L355-S358 WeakPolarHBondContact CB-OG 3.45Å; L355-S358 VanDerWaalsContact O-CB 3.28Å; L355-S358 WeakPolarHBondContact O-CB 3.44Å; L355-S358 PolarHBondContact O-N 3.48Å; L355-S358 VanDerWaalsContact O-N 3.17Å; L355-S358 PolarHBondContact O-OG 2.8Å
356	P	91.3	Very high	93.1	Very high	82 Å²	82	58.8 Å²	58.8	53%	0.532	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	144.2	-179.4	-23.4	33.5	0	0	0	111.2	S358	P356-S358 PolarHBondContact O-N 2.66Å; P356-S358 VanDerWaalsContact O-N 3.14Å
357	N	89.1	Confident	93.1	Very high	87 Å²	87	56.9 Å²	56.9	47%	0.465	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	11	-178.6	-64.6	-62.9	0	0	0	115.8	F324 D326 L355 L359	F324-N357 PolarHBondContact O-N 2.9Å; D326-N357 VanDerWaalsContact CB-OD1 3.32Å; D326-N357 WeakPolarHBondContact CB-OD1 3.31Å; D326-N357 PolarHBondContact OD2-ND2 3.49Å; D326-N357 PolarHBondContact OD2-OD1 3.4Å; L355-N357 PolarHBondContact O-N 3.5Å; N357-L359 VanDerWaalsContact C-N 3.32Å
358	S	91.9	Very high	93	Very high	23 Å²	23	55.3 Å²	55.3	16%	0.161	28%	0.277	C	S	.	.			trans	-82.4	-10.3	177.6	76.3	0	0	0	0	113.4	G196 F274 F324 L355 P356	G196-S358 CarbonylContact C-O 3.55Å; G196-S358 WeakPolarHBondContact CA-O 3.48Å; F274-S358 WeakPolarHBondContact CD2-OG 3.27Å; F324-S358 WeakPolarHBondContact CD1-OG 3.42Å; F324-S358 PolarHBondContact O-N 3.08Å; L355-S358 WeakPolarHBondContact CB-OG 3.45Å; L355-S358 VanDerWaalsContact O-CB 3.28Å; L355-S358 WeakPolarHBondContact O-CB 3.44Å; L355-S358 PolarHBondContact O-N 3.48Å; L355-S358 VanDerWaalsContact O-N 3.17Å; L355-S358 PolarHBondContact O-OG 2.8Å; P356-S358 PolarHBondContact O-N 2.66Å; P356-S358 VanDerWaalsContact O-N 3.14Å
359	L	91.7	Very high	93	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.047	27%	0.272	C	S	.	.			trans	-109.5	121.4	175	177.9	70	0	0	0	109.9	L194 F274 V320 F324 P331 N357 V362	L194-L359 HydrophobicContact CB-CD1 3.98Å; F274-L359 HydrophobicContact CE2-CB 4.34Å; F274-L359 HydrophobicContact CE2-CD1 4.5Å; F274-L359 HydrophobicContact CZ-CD1 4.02Å; V320-L359 HydrophobicContact CG1-CD2 3.4Å; F324-L359 HydrophobicContact CB-CB 3.71Å; F324-L359 HydrophobicContact CB-CD2 4.49Å; F324-L359 WeakPolarHBondContact O-CB 3.3Å; F324-L359 PolarHBondContact O-N 3.03Å; P331-L359 HydrophobicContact CB-CD2 4.01Å; P331-L359 HydrophobicContact CB-CG 4.06Å; P331-L359 HydrophobicContact CG-CD2 3.9Å; P331-L359 HydrophobicContact CG-CG 4.49Å; N357-L359 VanDerWaalsContact C-N 3.32Å; L359-V362 HydrophobicContact CD1-CG2 4.13Å; L359-V362 HydrophobicContact CD2-CG2 3.79Å; L359-V362 HydrophobicContact CG-CG2 4.23Å
360	R	87.1	Confident	93	Very high	139 Å²	139	57.6 Å²	57.6	53%	0.525	28%	0.284	S	S	.	.			trans	-97.8	-41.6	-179.1	-62.8	-173.9	177.2	-143.3	-3.3	112.8	I195	I195-R360 PolarHBondContact O-N 2.91Å
361	L	89.1	Confident	93.2	Very high	25 Å²	25	47 Å²	47	13%	0.131	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.2	-169.7	177	60.3	0	0	0	110.4	F107 I195 V332 V363	F107-L361 HydrophobicContact CD1-CD2 3.97Å; F107-L361 HydrophobicContact CE1-CD2 3.42Å; F107-L361 VanDerWaalsContact CE1-CD2 3.42Å; F107-L361 HydrophobicContact CE1-CG 4.47Å; F107-L361 HydrophobicContact CZ-CD2 4.42Å; I195-L361 HydrophobicContact CB-CB 4.19Å; I195-L361 HydrophobicContact CD1-CB 4.15Å; I195-L361 HydrophobicContact CD1-CD2 3.79Å; I195-L361 HydrophobicContact CD1-CG 3.97Å; I195-L361 PolarHBondContact N-O 3.39Å; I195-L361 PolarHBondContact O-N 3.07Å; V332-L361 HydrophobicContact CB-CD1 3.75Å; V332-L361 HydrophobicContact CG1-CD1 3.74Å; V332-L361 WeakPolarHBondContact O-CD1 2.99Å; L361-V363 HydrophobicContact CG-CG2 4.24Å
362	V	91.7	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	171.1	178.8	0	0	0	0	108.2	V193 L194 L317 P331 V332 V333 C334 L359 V364	V193-V362 WeakPolarHBondContact O-CA 3.08Å; L194-V362 HydrophobicContact CD2-CB 4.48Å; L194-V362 HydrophobicContact CD2-CG1 4.01Å; L194-V362 HydrophobicContact CD2-CG2 3.98Å; L317-V362 HydrophobicContact CD2-CG1 3.76Å; P331-V362 HydrophobicContact CB-CG2 4.4Å; P331-V362 HydrophobicContact CG-CG2 4.49Å; V332-V362 PolarHBondContact O-N 3.05Å; V333-V362 CarbonylContact C-O 3.58Å; V333-V362 WeakPolarHBondContact CA-O 3.28Å; V333-V362 HydrophobicContact CB-CB 4.39Å; V333-V362 HydrophobicContact CG1-CB 4.14Å; V333-V362 HydrophobicContact CG1-CG1 4.06Å; V333-V362 HydrophobicContact CG2-CB 3.92Å; V333-V362 HydrophobicContact CG2-CG2 4.32Å; C334-V362 PolarHBondContact N-O 2.76Å; L359-V362 HydrophobicContact CD1-CG2 4.13Å; L359-V362 HydrophobicContact CD2-CG2 3.79Å; L359-V362 HydrophobicContact CG-CG2 4.23Å; V362-V364 HydrophobicContact CG1-CG2 4.19Å
363	V	92.4	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.7	169.1	-175.6	0	0	0	0	108.3	E50 L51 F107 L192 V193 C334 L361	E50-V363 HydrophobicContact CB-CG1 3.6Å; L51-V363 HydrophobicContact CD2-CB 4.35Å; L51-V363 HydrophobicContact CD2-CG1 4.22Å; L51-V363 HydrophobicContact CD2-CG2 3.9Å; L51-V363 HydrophobicContact CG-CG1 4.32Å; F107-V363 HydrophobicContact CE1-CG2 3.93Å; F107-V363 HydrophobicContact CZ-CG2 3.96Å; L192-V363 CarbonylContact C-O 3.56Å; L192-V363 VanDerWaalsContact CA-O 3.31Å; L192-V363 WeakPolarHBondContact CA-O 3.25Å; V193-V363 HydrophobicContact CB-CB 4.14Å; V193-V363 HydrophobicContact CG2-CB 4.4Å; V193-V363 PolarHBondContact N-O 2.82Å; V193-V363 PolarHBondContact O-N 3.29Å; C334-V363 HydrophobicContact CB-CG1 4.49Å; C334-V363 HydrophobicContact CB-CG2 4.27Å; L361-V363 HydrophobicContact CG-CG2 4.24Å
364	V	93.7	Very high	93.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.2	171.7	-174.3	0	0	0	0	108.2	V313 L317 V333 C334 W336 V362	V313-V364 HydrophobicContact CG1-CG1 4.16Å; V313-V364 HydrophobicContact CG1-CG2 4.13Å; V313-V364 HydrophobicContact CG2-CG1 4.3Å; L317-V364 HydrophobicContact CD1-CG2 4.31Å; V333-V364 HydrophobicContact CG1-CG2 4.26Å; C334-V364 PolarHBondContact O-N 2.79Å; W336-V364 HydrophobicContact CB-CB 4.2Å; W336-V364 HydrophobicContact CB-CG2 3.89Å; W336-V364 HydrophobicContact CD2-CG2 4.46Å; W336-V364 HydrophobicContact CE3-CB 4.23Å; W336-V364 HydrophobicContact CE3-CG1 3.75Å; W336-V364 HydrophobicContact CE3-CG2 4.36Å; W336-V364 HydrophobicContact CG-CG2 4.31Å; W336-V364 HydrophobicContact CZ3-CG1 4.24Å; V362-V364 HydrophobicContact CG1-CG2 4.19Å
365	S	94.1	Very high	92.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.6	-172	179.2	0	0	0	0	111.3	I48 E50 C190 V191	I48-S365 WeakPolarHBondContact CG2-OG 3.16Å; E50-S365 WeakPolarHBondContact OE2-CA 3.37Å; E50-S365 WeakPolarHBondContact OE2-CB 3.49Å; E50-S365 PolarHBondContact OE2-OG 3.4Å; C190-S365 CarbonylContact C-O 3.35Å; C190-S365 WeakPolarHBondContact CA-O 3.41Å; V191-S365 PolarHBondContact N-O 3.43Å; V191-S365 PolarHBondContact O-N 3.03Å
366	K	93.2	Very high	92.8	Very high	106 Å²	106	48.1 Å²	48.1	46%	0.461	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	164.2	162.3	-68.8	-171.5	176.4	-170.6	0	109.5	E50 G368	E50-K366 PolarHBondContact OE2-N 3.07Å; K366-G368 PolarHBondContact O-N 3.12Å
367	I	95.3	Very high	92.9	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.072	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-56.6	127.1	174.7	-51	-175.3	0	0	0	109.7	F157 A183 W186 L189	F157-I367 HydrophobicContact CD2-CD1 4.34Å; F157-I367 HydrophobicContact CE1-CD1 4.21Å; F157-I367 HydrophobicContact CE2-CD1 3.29Å; F157-I367 HydrophobicContact CZ-CD1 3.21Å; A183-I367 HydrophobicContact CB-CG2 4.4Å; W186-I367 HydrophobicContact CB-CD1 4.27Å; L189-I367 HydrophobicContact CB-CD1 4.06Å; L189-I367 HydrophobicContact CB-CG1 4.4Å; L189-I367 HydrophobicContact CD2-CD1 3.93Å; L189-I367 HydrophobicContact CD2-CG1 4.49Å
368	G	93.3	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-81.2	166.5	-172.8	0	0	0	0	0	114.6	T47 N49 G156 A183 K366	T47-G368 WeakPolarHBondContact O-CA 3.23Å; T47-G368 PolarHBondContact O-N 3.22Å; N49-G368 WeakPolarHBondContact OD1-CA 3.35Å; G156-G368 PolarHBondContact N-O 3.41Å; A183-G368 VanDerWaalsContact CB-O 3.29Å; A183-G368 WeakPolarHBondContact CB-O 3.36Å; K366-G368 PolarHBondContact O-N 3.12Å
369	T	94.8	Very high	93.1	Very high	60 Å²	60	45.2 Å²	45.2	37%	0.368	22%	0.219	S	C	.	.			trans	-98.3	-173.7	177.3	56.6	0	0	0	0	110.1	P20 T47 N49 A183	P20-T369 WeakPolarHBondContact CG-O 3.42Å; T47-T369 WeakPolarHBondContact CG2-O 3.37Å; N49-T369 VanDerWaalsContact CG-N 3.31Å; N49-T369 PolarHBondContact ND2-N 2.91Å; N49-T369 VanDerWaalsContact ND2-N 3.13Å; N49-T369 PolarHBondContact ND2-OG1 3.45Å; N49-T369 PolarHBondContact OD1-N 2.89Å; N49-T369 PolarHBondContact OD1-OG1 3.18Å; A183-T369 HydrophobicContact CB-CG2 4.3Å
370	E	95.2	Very high	93.2	Very high	68 Å²	68	47.5 Å²	47.5	32%	0.318	23%	0.23	S	C	.	.			trans	-76.8	171.3	170.6	60.2	-169.2	-138.6	0	0	112.3	K135 I153 P155	K135-E370 IonicContact NZ-OE1 2.92Å; K135-E370 IonicContact NZ-OE2 3.09Å; K135-E370 PolarHBondContact NZ-OE2 2.62Å; I153-E370 WeakPolarHBondContact O-CB 3.48Å; P155-E370 HydrophobicContact CB-CB 4.4Å; P155-E370 WeakPolarHBondContact CD-OE2 3.3Å
371	P	97.1	Very high	93.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.211	C	C	.	.			trans	-60.6	155.4	172.4	-18.5	33.4	0	0	0	111	I17 R18 A19 S121 Y125 S152	I17-P371 HydrophobicContact CG2-CB 3.92Å; R18-P371 VanDerWaalsContact O-CA 3.25Å; R18-P371 WeakPolarHBondContact O-CA 3.29Å; A19-P371 HydrophobicContact CB-CB 3.98Å; A19-P371 HydrophobicContact CB-CG 4.08Å; S121-P371 WeakPolarHBondContact OG-CG 3.36Å; Y125-P371 HydrophobicContact CD1-CB 4.01Å; Y125-P371 HydrophobicContact CD2-CB 3.98Å; Y125-P371 HydrophobicContact CD2-CG 4.13Å; Y125-P371 HydrophobicContact CE1-CB 4.47Å; Y125-P371 HydrophobicContact CE2-CB 4.43Å; Y125-P371 HydrophobicContact CG-CB 3.74Å; Y125-P371 HydrophobicContact CG-CG 4.2Å; Y125-P371 VanDerWaalsContact CZ-O 3.25Å; Y125-P371 PolarHBondContact OH-O 2.57Å; S152-P371 WeakPolarHBondContact O-CD 2.92Å; S152-P371 WeakPolarHBondContact O-CG 3.37Å
372	K	96.8	Very high	94	Very high	109 Å²	109	42.6 Å²	42.6	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148	-179.3	59.7	-179.3	179.3	-178.9	0	112.2	I17 R18 I374	I17-K372 CarbonylContact C-O 3.53Å; I17-K372 WeakPolarHBondContact CA-O 3.29Å; R18-K372 HydrophobicContact CB-CG 4.28Å; R18-K372 PolarHBondContact N-O 3.39Å; R18-K372 PolarHBondContact O-N 3.19Å; K372-I374 HydrophobicContact CD-CG2 4.28Å; K372-I374 HydrophobicContact CG-CG2 3.9Å
373	C	96.3	Very high	94.1	Very high	45 Å²	45	45.8 Å²	45.8	30%	0.304	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.2	160.7	-123.2	0	0	0	0	108.8	Q16 I17 D375	Q16-C373 CarbonylContact O-C 3.52Å; Q16-C373 WeakPolarHBondContact O-CA 3.44Å; I17-C373 HydrophobicContact CD1-CB 4.39Å; C373-D375 PolarHBondContact SG-OD1 3.08Å
374	I	94.7	Very high	94.3	Very high	62 Å²	62	49.7 Å²	49.7	32%	0.318	25%	0.252	S	S	.	.			trans	-121.6	4.8	178.7	61.9	165.4	0	0	0	113.7	Q16 R18 K372	Q16-I374 HydrophobicContact CB-CG1 3.94Å; Q16-I374 HydrophobicContact CG-CD1 3.83Å; Q16-I374 HydrophobicContact CG-CG1 3.74Å; Q16-I374 WeakPolarHBondContact O-CG1 3.33Å; Q16-I374 PolarHBondContact O-N 3.32Å; R18-I374 HydrophobicContact CB-CD1 4.32Å; R18-I374 HydrophobicContact CB-CG2 3.69Å; K372-I374 HydrophobicContact CD-CG2 4.28Å; K372-I374 HydrophobicContact CG-CG2 3.9Å
375	D	86.6	Confident	94.3	Very high	124 Å²	124	53.6 Å²	53.6	66%	0.663	27%	0.272	S	S	*	.			trans	-93	0	172.9	57.8	-46.9	0	0	0	113.6	L15 Q16 C373	L15-D375 VanDerWaalsContact CA-OD2 3.31Å; L15-D375 WeakPolarHBondContact CA-OD2 3.29Å; Q16-D375 HydrophobicContact CB-CB 4.41Å; Q16-D375 PolarHBondContact N-OD1 3.06Å; C373-D375 PolarHBondContact SG-OD1 3.08Å

Retrieved 375 of 375 residues in 1178.8 ms (Link to these results)

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