A0A3Q0KVC6_SCHMA Loading...

C-terminal-binding protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KVC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 595 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	44.1	Very low	248 Å²	248	146.5 Å²	146.5	100%	1.222	82%	0.822	S	S	*	*				0	119.1	0	-58.4	168	-178.3	0	0	106
2	S	42.8	Very low	45.5	Very low	123 Å²	123	144.4 Å²	144.4	86%	0.86	82%	0.819	S	S	*	*	P	Polyproline II helix	cis	-99.6	160.3	4.8	-166.8	0	0	0	0	112.5
3	L	42.2	Very low	48.2	Very low	161 Å²	161	141.2 Å²	141.2	84%	0.843	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-103.8	142.5	178.4	-85.8	165.7	0	0	0	111.2	R5	L3-R5 PolarHBondContact O-N 2.97Å
4	H	44.3	Very low	51.2	Low	181 Å²	181	138 Å²	138	84%	0.838	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-58.3	119.6	169.9	-87.2	36.1	0	0	0	110.2	S6	H4-S6 PolarHBondContact O-N 3.18Å
5	R	41.3	Very low	54.1	Low	245 Å²	245	131.3 Å²	131.3	93%	0.925	76%	0.756	S	S	*	*			trans	-99	74.8	172.5	-161.1	-179.9	-163	-158.3	4.4	109.9	L3 S7	L3-R5 PolarHBondContact O-N 2.97Å; R5-S7 PolarHBondContact O-N 3.42Å; R5-S7 VanDerWaalsContact O-N 3.16Å
6	S	40.2	Very low	56.8	Low	91 Å²	91	124.4 Å²	124.4	64%	0.636	72%	0.715	S	S	*	*			trans	-54.5	118.2	175.1	-54.7	0	0	0	0	110.3	H4 N8	H4-S6 PolarHBondContact O-N 3.18Å; S6-N8 PolarHBondContact O-N 2.96Å
7	S	43.9	Very low	59.2	Low	116 Å²	116	117.1 Å²	117.1	81%	0.811	67%	0.673	S	S	*	*			trans	-80.2	82.8	-175.4	55.4	0	0	0	0	111.1	R5 G9	R5-S7 PolarHBondContact O-N 3.42Å; R5-S7 VanDerWaalsContact O-N 3.16Å; S7-G9 PolarHBondContact O-N 3.26Å
8	N	43.9	Very low	61.3	Low	160 Å²	160	110.6 Å²	110.6	86%	0.856	64%	0.636	S	S	*	*			trans	-71.9	58.3	170.5	-71	-1.2	0	0	0	111.5	S6	S6-N8 PolarHBondContact O-N 2.96Å
9	G	49.7	Very low	63.1	Low	50 Å²	50	104.8 Å²	104.8	52%	0.515	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-75.1	162.7	158.4	0	0	0	0	0	110.1	S7	S7-G9 PolarHBondContact O-N 3.26Å
10	P	45.8	Very low	64.8	Low	122 Å²	122	99.6 Å²	99.6	79%	0.792	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.4	145.8	164.6	27.9	-34.2	0	0	0	109.3
11	P	50	Low	66.2	Low	114 Å²	114	95.6 Å²	95.6	74%	0.74	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.7	144	174.8	26	-34.2	0	0	0	109.6	A13	P11-A13 PolarHBondContact O-N 3.4Å
12	P	60.6	Low	68.7	Low	122 Å²	122	84.3 Å²	84.3	79%	0.792	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-55.5	131.6	179.8	23.6	-33.6	0	0	0	109.8	K14	P12-K14 PolarHBondContact O-N 3.09Å; P12-K14 VanDerWaalsContact O-N 3.15Å
13	A	80.1	Confident	71.1	Confident	102 Å²	102	86.8 Å²	86.8	84%	0.843	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-57.5	121.1	-175.8	0	0	0	0	0	109.9	P11	P11-A13 PolarHBondContact O-N 3.4Å
14	K	90.8	Very high	73.5	Confident	97 Å²	97	82.3 Å²	82.3	42%	0.422	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-64	129.6	-178.9	-75.9	-177.4	177	178.5	0	109.6	P12 L16 K33 D34 T37	P12-K14 PolarHBondContact O-N 3.09Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-L16 PolarHBondContact O-N 3.08Å; K14-K33 PolarHBondContact NZ-O 3.42Å; K14-D34 WeakPolarHBondContact CE-O 3.42Å; K14-D34 PolarHBondContact NZ-O 2.89Å; K14-T37 WeakPolarHBondContact CB-OG1 3.33Å; K14-T37 PolarHBondContact O-OG1 2.91Å
15	P	95.2	Very high	75.9	Confident	38 Å²	38	74.6 Å²	74.6	25%	0.247	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-54.5	139.2	-179.9	22.7	-34.5	0	0	0	111.2	V35 A36 T37 V58 I326	P15-V35 WeakPolarHBondContact CD-O 3.25Å; P15-A36 HydrophobicContact CG-CB 4.5Å; P15-A36 WeakPolarHBondContact O-CA 3.46Å; P15-T37 PolarHBondContact O-N 3.28Å; P15-V58 HydrophobicContact CB-CB 3.98Å; P15-V58 HydrophobicContact CB-CG1 4.46Å; P15-V58 HydrophobicContact CB-CG2 3.84Å; P15-I326 HydrophobicContact CG-CD1 4.12Å; P15-I326 HydrophobicContact CG-CG1 4.43Å; P15-I326 HydrophobicContact CG-CG2 3.89Å
16	L	96.6	Very high	78.4	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.105	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129	176.4	178.6	62.8	0	0	0	109.8	K14 A39 V53 E56 A57 V58 G59	K14-L16 PolarHBondContact O-N 3.08Å; L16-A39 HydrophobicContact CD1-CB 3.94Å; L16-V53 HydrophobicContact CD2-CG2 4.4Å; L16-E56 HydrophobicContact CD2-CB 4Å; L16-A57 HydrophobicContact CD2-CB 4.34Å; L16-A57 HydrophobicContact CG-CB 4.38Å; L16-V58 PolarHBondContact O-N 2.84Å; L16-G59 PolarHBondContact O-N 3.25Å
17	V	97.2	Very high	81.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.3	170.4	174.9	0	0	0	0	107.7	L32 A36 T37 V38 A39 G59 L61 I322 I326	V17-L32 HydrophobicContact CG1-CD1 4.27Å; V17-A36 HydrophobicContact CG2-CB 3.77Å; V17-T37 PolarHBondContact N-O 3.43Å; V17-V38 CarbonylContact O-C 3.52Å; V17-V38 WeakPolarHBondContact O-CA 3.15Å; V17-A39 PolarHBondContact O-N 3.21Å; V17-G59 VanDerWaalsContact CA-O 3.3Å; V17-G59 WeakPolarHBondContact CA-O 3.14Å; V17-L61 HydrophobicContact CG1-CD1 3.91Å; V17-L61 HydrophobicContact CG1-CG 4.47Å; V17-I322 HydrophobicContact CG1-CG2 4.02Å; V17-I322 HydrophobicContact CG2-CG2 3.65Å; V17-I326 HydrophobicContact CG2-CD1 3.71Å
18	A	96.8	Very high	83.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.5	-176.8	0	0	0	0	0	111.8	L20 A39 V53 G59 A60 L61	A18-L20 HydrophobicContact CB-CD2 4.05Å; A18-A39 WeakPolarHBondContact CA-O 3.49Å; A18-V53 HydrophobicContact CB-CG1 3.52Å; A18-V53 HydrophobicContact CB-CG2 4.48Å; A18-G59 PolarHBondContact N-O 3.43Å; A18-A60 CarbonylContact O-C 3.59Å; A18-A60 WeakPolarHBondContact O-CA 3.4Å; A18-L61 PolarHBondContact O-N 3.46Å
19	L	97.1	Very high	86	Confident	1 Å²	1	56 Å²	56	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	116.6	159.1	178.9	63.2	0	0	0	108	D24 A39 F40 C41 L61 I85	L19-D24 VanDerWaalsContact CD2-O 3.27Å; L19-D24 WeakPolarHBondContact CD2-O 3.22Å; L19-A39 PolarHBondContact N-O 2.92Å; L19-F40 HydrophobicContact CB-CB 4.13Å; L19-F40 HydrophobicContact CD2-CB 4.5Å; L19-F40 CarbonylContact O-C 3.59Å; L19-F40 VanDerWaalsContact O-CA 3.3Å; L19-F40 WeakPolarHBondContact O-CA 3.37Å; L19-C41 PolarHBondContact O-N 3.25Å; L19-C41 PolarHBondContact O-SG 3.34Å; L19-L61 CarbonylContact C-O 3.58Å; L19-L61 WeakPolarHBondContact CA-O 3.41Å; L19-L61 HydrophobicContact CD1-CB 3.98Å; L19-I85 HydrophobicContact CD1-CD1 3.8Å
20	L	96.5	Very high	88.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-78.2	-58.1	-172	-56.7	-171.9	0	0	0	111.5	A18 C41 D42 A43 I49 V53 A60 L61 M62 I66 L68 F76	A18-L20 HydrophobicContact CB-CD2 4.05Å; L20-C41 WeakPolarHBondContact O-CB 3.28Å; L20-D42 PolarHBondContact O-N 3.11Å; L20-A43 PolarHBondContact O-N 3.12Å; L20-I49 HydrophobicContact CD1-CD1 4.31Å; L20-I49 HydrophobicContact CD2-CD1 4.21Å; L20-V53 HydrophobicContact CD2-CG1 4.44Å; L20-A60 HydrophobicContact CD1-CB 4.21Å; L20-A60 HydrophobicContact CD2-CB 4.34Å; L20-A60 HydrophobicContact CG-CB 4.26Å; L20-L61 PolarHBondContact N-O 3.41Å; L20-M62 HydrophobicContact CB-CB 4.33Å; L20-M62 HydrophobicContact CD1-CB 4.38Å; L20-M62 HydrophobicContact CD1-SD 4.32Å; L20-M62 HydrophobicContact CG-CB 4.46Å; L20-I66 HydrophobicContact CB-CG2 4.34Å; L20-L68 HydrophobicContact CD1-CD1 4.19Å; L20-F76 HydrophobicContact CD1-CZ 4.34Å
21	D	94.6	Very high	90.6	Very high	16 Å²	16	53.4 Å²	53.4	9%	0.086	31%	0.306	C	S	.	.	S	Bend	trans	-109.8	38.3	-166.6	58.4	-14.3	0	0	0	112.9	A43 M62 W63 T65 I66	D21-A43 WeakPolarHBondContact CA-O 3.35Å; D21-M62 WeakPolarHBondContact OD1-CA 3.49Å; D21-W63 VanDerWaalsContact CG-N 3.28Å; D21-W63 PolarHBondContact OD1-N 3.15Å; D21-W63 VanDerWaalsContact OD2-C 3.31Å; D21-W63 WeakPolarHBondContact OD2-CA 3.44Å; D21-W63 WeakPolarHBondContact OD2-CB 3.38Å; D21-W63 PolarHBondContact OD2-N 3.49Å; D21-T65 WeakPolarHBondContact CB-OG1 3.47Å; D21-T65 PolarHBondContact OD2-N 2.84Å; D21-T65 PolarHBondContact OD2-OG1 2.92Å; D21-T65 VanDerWaalsContact OD2-OG1 3.11Å; D21-I66 HydrophobicContact CB-CB 3.91Å; D21-I66 HydrophobicContact CB-CG2 3.75Å; D21-I66 WeakPolarHBondContact OD2-CG2 3.16Å; D21-I66 PolarHBondContact OD2-N 3.12Å
22	G	92.2	Very high	92.8	Very high	12 Å²	12	48 Å²	48	12%	0.124	27%	0.271	C	S	.	.			trans	-157.6	170	175.9	0	0	0	0	0	113.6	F40 D42	G22-F40 WeakPolarHBondContact O-CB 3.46Å; G22-D42 PolarHBondContact O-N 3.44Å
23	R	93.3	Very high	94.4	Very high	174 Å²	174	48.3 Å²	48.3	66%	0.657	26%	0.26	S	S	*	.	S	Bend	trans	-110.1	-23.1	-176.9	-59.4	178.9	179.5	177.2	-5.4	114.6	D42	R23-D42 HydrophobicContact CG-CB 4.08Å; R23-D42 WeakPolarHBondContact CG-OD1 3.21Å; R23-D42 IonicContact CZ-OD1 3.86Å; R23-D42 IonicContact CZ-OD2 3.68Å; R23-D42 IonicContact NE-OD1 2.71Å; R23-D42 PolarHBondContact NE-OD1 3.47Å; R23-D42 IonicContact NE-OD2 3.78Å; R23-D42 PolarHBondContact NE-OD2 3.2Å; R23-D42 IonicContact NH2-OD1 3.05Å; R23-D42 IonicContact NH2-OD2 2.73Å; R23-D42 PolarHBondContact NH2-OD2 3.4Å
24	D	93.6	Very high	95.1	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	24%	0.24	S	C	.	.			trans	-101.2	116.6	-170.7	173.8	5.9	0	0	0	110.3	L19 T26 R315	L19-D24 VanDerWaalsContact CD2-O 3.27Å; L19-D24 WeakPolarHBondContact CD2-O 3.22Å; D24-T26 VanDerWaalsContact OD1-CB 3.27Å; D24-T26 WeakPolarHBondContact OD1-CB 3.48Å; D24-T26 VanDerWaalsContact OD1-CG2 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.22Å; D24-T26 PolarHBondContact OD1-N 3.36Å; D24-T26 PolarHBondContact OD1-OG1 3.41Å; D24-R315 PolarHBondContact O-NH2 3.04Å; D24-R315 IonicContact OD1-CZ 2.67Å; D24-R315 IonicContact OD1-NH1 3.61Å; D24-R315 IonicContact OD1-NH2 3.97Å; D24-R315 PolarHBondContact OD1-NH2 3.25Å; D24-R315 IonicContact OD2-CZ 3.23Å; D24-R315 IonicContact OD2-NH1 3.74Å; D24-R315 PolarHBondContact OD2-NH1 3.4Å; D24-R315 IonicContact OD2-NH2 2.66Å; D24-R315 PolarHBondContact OD2-NH2 3.15Å
25	C	93.6	Very high	95.3	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.122	23%	0.226	C	C	.	.			trans	-115.8	19.9	171.8	-62.3	0	0	0	0	113.2	I27 E28 M29 V38	C25-I27 VanDerWaalsContact C-N 3.26Å; C25-I27 PolarHBondContact O-N 3.02Å; C25-E28 VanDerWaalsContact C-OE2 3.24Å; C25-E28 VanDerWaalsContact CA-OE2 3.24Å; C25-E28 WeakPolarHBondContact CA-OE2 3.19Å; C25-E28 PolarHBondContact O-N 3.14Å; C25-M29 WeakPolarHBondContact O-CB 3.12Å; C25-M29 PolarHBondContact O-N 3.45Å; C25-V38 HydrophobicContact CB-CG1 4.05Å
26	T	95.2	Very high	95.3	Very high	103 Å²	103	42 Å²	42	63%	0.632	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23	-172.7	57.8	0	0	0	0	114.2	D24 P30	D24-T26 VanDerWaalsContact OD1-CB 3.27Å; D24-T26 WeakPolarHBondContact OD1-CB 3.48Å; D24-T26 VanDerWaalsContact OD1-CG2 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.22Å; D24-T26 PolarHBondContact OD1-N 3.36Å; D24-T26 PolarHBondContact OD1-OG1 3.41Å; T26-P30 WeakPolarHBondContact O-CD 3.48Å; T26-P30 WeakPolarHBondContact O-CG 3.36Å
27	I	95.6	Very high	95.3	Very high	35 Å²	35	44.3 Å²	44.3	18%	0.179	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-40.8	177.2	-60.3	-176.7	0	0	0	110.5	C25 R312 R315 E316	C25-I27 VanDerWaalsContact C-N 3.26Å; C25-I27 PolarHBondContact O-N 3.02Å; I27-R312 HydrophobicContact CD1-CB 4.43Å; I27-R312 HydrophobicContact CD1-CG 4.28Å; I27-R315 HydrophobicContact CB-CB 4.21Å; I27-R315 HydrophobicContact CD1-CB 4.21Å; I27-R315 HydrophobicContact CG2-CB 3.91Å; I27-E316 HydrophobicContact CG2-CB 4.48Å; I27-E316 HydrophobicContact CG2-CG 3.5Å; I27-E316 VanDerWaalsContact CG2-CG 3.5Å
28	E	96.8	Very high	95.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-74.5	-40.8	-175.7	-60	79.4	-179.4	0	0	111.9	C25 L31 L32 L61 R315 A319	C25-E28 VanDerWaalsContact C-OE2 3.24Å; C25-E28 VanDerWaalsContact CA-OE2 3.24Å; C25-E28 WeakPolarHBondContact CA-OE2 3.19Å; C25-E28 PolarHBondContact O-N 3.14Å; E28-L31 PolarHBondContact O-N 3.2Å; E28-L31 VanDerWaalsContact O-N 3.12Å; E28-L32 HydrophobicContact CB-CD1 4.49Å; E28-L32 WeakPolarHBondContact O-CB 3.14Å; E28-L32 PolarHBondContact O-N 3.19Å; E28-L61 HydrophobicContact CG-CD1 4.14Å; E28-R315 WeakPolarHBondContact OE1-CB 3.28Å; E28-R315 WeakPolarHBondContact OE1-CG 3.18Å; E28-R315 IonicContact OE1-CZ 2.76Å; E28-R315 IonicContact OE1-NE 2.91Å; E28-R315 PolarHBondContact OE1-NE 2.75Å; E28-R315 IonicContact OE1-NH2 3.86Å; E28-R315 PolarHBondContact OE1-NH2 2.92Å; E28-R315 IonicContact OE2-CZ 2.86Å; E28-R315 IonicContact OE2-NE 3.76Å; E28-R315 IonicContact OE2-NH2 3.71Å; E28-R315 PolarHBondContact OE2-NH2 3.27Å; E28-A319 HydrophobicContact CB-CB 4.16Å; E28-A319 HydrophobicContact CG-CB 4.15Å
29	M	94.9	Very high	95.1	Very high	82 Å²	82	46.6 Å²	46.6	40%	0.404	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-43.5	-175.8	-179.3	150.6	-111.8	0	0	113.2	C25 L31 L32 K33 V38	C25-M29 WeakPolarHBondContact O-CB 3.12Å; C25-M29 PolarHBondContact O-N 3.45Å; M29-L31 PolarHBondContact O-N 3.42Å; M29-L32 PolarHBondContact O-N 3.36Å; M29-K33 WeakPolarHBondContact O-CB 3.4Å; M29-K33 WeakPolarHBondContact O-CG 3.39Å; M29-K33 PolarHBondContact O-N 2.88Å; M29-V38 HydrophobicContact CE-CB 3.96Å; M29-V38 HydrophobicContact CE-CG2 4.48Å
30	P	96	Very high	95	Very high	68 Å²	68	52.1 Å²	52.1	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-56.2	-31.8	171.1	-28.2	36.5	0	0	0	114.7	T26 K33	T26-P30 WeakPolarHBondContact O-CD 3.48Å; T26-P30 WeakPolarHBondContact O-CG 3.36Å; P30-K33 VanDerWaalsContact O-CE 3.32Å; P30-K33 WeakPolarHBondContact O-CE 3.32Å
31	L	96.1	Very high	94.8	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-87.4	-17.8	-178.3	-64.7	175.5	0	0	0	114.2	E28 M29 E316 A319 R323	E28-L31 PolarHBondContact O-N 3.2Å; E28-L31 VanDerWaalsContact O-N 3.12Å; M29-L31 PolarHBondContact O-N 3.42Å; L31-E316 HydrophobicContact CD1-CB 4.03Å; L31-E316 HydrophobicContact CD1-CG 4.01Å; L31-A319 HydrophobicContact CB-CB 4.07Å; L31-A319 HydrophobicContact CD1-CB 3.83Å; L31-R323 PolarHBondContact O-NH1 2.67Å
32	L	96.5	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-117.7	-16.4	-175.6	-71	175.1	0	0	0	114.6	V17 E28 M29 D34 V35 A36 V38 A319 I322 R323	V17-L32 HydrophobicContact CG1-CD1 4.27Å; E28-L32 HydrophobicContact CB-CD1 4.49Å; E28-L32 WeakPolarHBondContact O-CB 3.14Å; E28-L32 PolarHBondContact O-N 3.19Å; M29-L32 PolarHBondContact O-N 3.36Å; L32-D34 PolarHBondContact O-N 3.09Å; L32-V35 HydrophobicContact CD2-CG2 3.9Å; L32-V35 WeakPolarHBondContact O-CG2 3.24Å; L32-V35 PolarHBondContact O-N 2.84Å; L32-A36 HydrophobicContact CB-CB 4.39Å; L32-A36 PolarHBondContact O-N 2.95Å; L32-V38 HydrophobicContact CB-CG2 3.61Å; L32-V38 HydrophobicContact CD1-CG2 3.86Å; L32-V38 HydrophobicContact CG-CG2 4.4Å; L32-A319 HydrophobicContact CD1-CB 4.29Å; L32-A319 HydrophobicContact CG-CB 4.35Å; L32-I322 HydrophobicContact CD1-CB 4.31Å; L32-I322 HydrophobicContact CD1-CG2 3.94Å; L32-I322 HydrophobicContact CD2-CB 4.25Å; L32-I322 HydrophobicContact CD2-CG2 3.83Å; L32-R323 HydrophobicContact CD2-CB 3.92Å
33	K	94.1	Very high	94.8	Very high	129 Å²	129	55.1 Å²	55.1	56%	0.561	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.8	-175	60.1	-176.4	177.6	-173.8	0	115.8	K14 M29 P30	K14-K33 PolarHBondContact NZ-O 3.42Å; M29-K33 WeakPolarHBondContact O-CB 3.4Å; M29-K33 WeakPolarHBondContact O-CG 3.39Å; M29-K33 PolarHBondContact O-N 2.88Å; P30-K33 VanDerWaalsContact O-CE 3.32Å; P30-K33 WeakPolarHBondContact O-CE 3.32Å
34	D	94.7	Very high	94.7	Very high	81 Å²	81	51.3 Å²	51.3	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-36.3	177.3	57.8	-47.8	0	0	0	112.2	K14 L32 R323	K14-D34 WeakPolarHBondContact CE-O 3.42Å; K14-D34 PolarHBondContact NZ-O 2.89Å; L32-D34 PolarHBondContact O-N 3.09Å; D34-R323 VanDerWaalsContact CG-NH1 3.32Å; D34-R323 IonicContact OD1-CZ 3.8Å; D34-R323 IonicContact OD1-NH1 3.2Å; D34-R323 PolarHBondContact OD1-NH1 3.34Å; D34-R323 IonicContact OD1-NH2 2.64Å; D34-R323 IonicContact OD2-CZ 3.16Å; D34-R323 IonicContact OD2-NH1 3.43Å; D34-R323 PolarHBondContact OD2-NH1 3.4Å; D34-R323 VanDerWaalsContact OD2-NH1 3.13Å; D34-R323 IonicContact OD2-NH2 2.79Å; D34-R323 PolarHBondContact OD2-NH2 3.36Å
35	V	95.2	Very high	94.6	Very high	20 Å²	20	49.9 Å²	49.9	12%	0.121	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-24.3	-174.5	-61.9	0	0	0	0	115.2	P15 L32 R323 I326 L327	P15-V35 WeakPolarHBondContact CD-O 3.25Å; L32-V35 HydrophobicContact CD2-CG2 3.9Å; L32-V35 WeakPolarHBondContact O-CG2 3.24Å; L32-V35 PolarHBondContact O-N 2.84Å; V35-R323 HydrophobicContact CG2-CG 4.35Å; V35-I326 HydrophobicContact CB-CG2 4.23Å; V35-L327 HydrophobicContact CG1-CD1 4.25Å; V35-L327 HydrophobicContact CG1-CD2 3.79Å; V35-L327 HydrophobicContact CG1-CG 4.13Å
36	A	95.9	Very high	94.5	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	28%	0.281	C	S	.	.			trans	-142.8	163.6	-168.7	0	0	0	0	0	113.2	P15 V17 L32 I326	P15-A36 HydrophobicContact CG-CB 4.5Å; P15-A36 WeakPolarHBondContact O-CA 3.46Å; V17-A36 HydrophobicContact CG2-CB 3.77Å; L32-A36 HydrophobicContact CB-CB 4.39Å; L32-A36 PolarHBondContact O-N 2.95Å; A36-I326 HydrophobicContact CB-CD1 3.85Å
37	T	95.6	Very high	94.3	Very high	70 Å²	70	49.9 Å²	49.9	43%	0.429	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.7	163.4	-53	0	0	0	0	107.4	K14 P15 V17	K14-T37 WeakPolarHBondContact CB-OG1 3.33Å; K14-T37 PolarHBondContact O-OG1 2.91Å; P15-T37 PolarHBondContact O-N 3.28Å; V17-T37 PolarHBondContact N-O 3.43Å
38	V	95.3	Very high	94.2	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.1	175.4	-168.5	0	0	0	0	109.6	V17 C25 M29 L32	V17-V38 CarbonylContact O-C 3.52Å; V17-V38 WeakPolarHBondContact O-CA 3.15Å; C25-V38 HydrophobicContact CB-CG1 4.05Å; M29-V38 HydrophobicContact CE-CB 3.96Å; M29-V38 HydrophobicContact CE-CG2 4.48Å; L32-V38 HydrophobicContact CB-CG2 3.61Å; L32-V38 HydrophobicContact CD1-CG2 3.86Å; L32-V38 HydrophobicContact CG-CG2 4.4Å
39	A	94.7	Very high	94	Very high	34 Å²	34	52.8 Å²	52.8	28%	0.281	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	168	171.5	0	0	0	0	0	110.1	L16 V17 A18 L19	L16-A39 HydrophobicContact CD1-CB 3.94Å; V17-A39 PolarHBondContact O-N 3.21Å; A18-A39 WeakPolarHBondContact CA-O 3.49Å; L19-A39 PolarHBondContact N-O 2.92Å
40	F	94.6	Very high	93.9	Very high	118 Å²	118	55.3 Å²	55.3	52%	0.518	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	171.7	67.1	-94.2	0	0	0	110.6	L19 G22 D42	L19-F40 HydrophobicContact CB-CB 4.13Å; L19-F40 HydrophobicContact CD2-CB 4.5Å; L19-F40 CarbonylContact O-C 3.59Å; L19-F40 VanDerWaalsContact O-CA 3.3Å; L19-F40 WeakPolarHBondContact O-CA 3.37Å; G22-F40 WeakPolarHBondContact O-CB 3.46Å; F40-D42 HydrophobicContact CD2-CB 4.5Å
41	C	93.3	Very high	93.8	Very high	30 Å²	30	53.8 Å²	53.8	20%	0.203	31%	0.308	C	S	.	.			trans	-112.3	-25.6	-177.3	-45.2	0	0	0	0	113.4	L19 L20 A43	L19-C41 PolarHBondContact O-N 3.25Å; L19-C41 PolarHBondContact O-SG 3.34Å; L20-C41 WeakPolarHBondContact O-CB 3.28Å; C41-A43 HydrophobicContact CB-CB 4.13Å; C41-A43 PolarHBondContact O-N 3.35Å
42	D	93.5	Very high	93.6	Very high	59 Å²	59	56.7 Å²	56.7	32%	0.316	32%	0.318	S	S	.	.			trans	54.5	31.1	-173.6	-165.9	48.2	0	0	0	114	L20 G22 R23 F40	L20-D42 PolarHBondContact O-N 3.11Å; G22-D42 PolarHBondContact O-N 3.44Å; R23-D42 HydrophobicContact CG-CB 4.08Å; R23-D42 WeakPolarHBondContact CG-OD1 3.21Å; R23-D42 IonicContact CZ-OD1 3.86Å; R23-D42 IonicContact CZ-OD2 3.68Å; R23-D42 IonicContact NE-OD1 2.71Å; R23-D42 PolarHBondContact NE-OD1 3.47Å; R23-D42 IonicContact NE-OD2 3.78Å; R23-D42 PolarHBondContact NE-OD2 3.2Å; R23-D42 IonicContact NH2-OD1 3.05Å; R23-D42 IonicContact NH2-OD2 2.73Å; R23-D42 PolarHBondContact NH2-OD2 3.4Å; F40-D42 HydrophobicContact CD2-CB 4.5Å
43	A	93	Very high	93.5	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.017	32%	0.322	C	S	.	.			trans	-87.7	123.6	-171.8	0	0	0	0	0	111.4	L20 D21 C41 E48 I49 I66	L20-A43 PolarHBondContact O-N 3.12Å; D21-A43 WeakPolarHBondContact CA-O 3.35Å; C41-A43 HydrophobicContact CB-CB 4.13Å; C41-A43 PolarHBondContact O-N 3.35Å; A43-E48 HydrophobicContact CB-CB 3.84Å; A43-I49 HydrophobicContact CB-CG1 3.73Å; A43-I66 HydrophobicContact CB-CD1 4.43Å
44	S	90.2	Very high	93.5	Very high	93 Å²	93	52.5 Å²	52.5	65%	0.65	30%	0.302	S	S	*	.	S	Bend	trans	-79.1	-24.9	169.3	-53.8	0	0	0	0	111.8	E48	S44-E48 WeakPolarHBondContact CB-OE2 3.25Å; S44-E48 PolarHBondContact N-OE2 3.12Å
45	S	91.7	Very high	93.5	Very high	39 Å²	39	53.3 Å²	53.3	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-140.4	159.5	176.5	77.1	0	0	0	0	112.1	S47 E48	S45-S47 PolarHBondContact O-N 3.28Å; S45-S47 PolarHBondContact OG-N 3.33Å; S45-S47 PolarHBondContact OG-OG 3.39Å; S45-E48 VanDerWaalsContact CB-OE1 3.24Å; S45-E48 WeakPolarHBondContact CB-OE1 3.03Å; S45-E48 PolarHBondContact N-OE1 2.81Å; S45-E48 PolarHBondContact O-N 3.47Å; S45-E48 PolarHBondContact OG-OE1 3.48Å
46	T	90.8	Very high	93.6	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.067	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17	175.1	-32.5	0	0	0	0	113.4	E48 I49 L68 D72 K75	T46-E48 VanDerWaalsContact C-N 3.33Å; T46-I49 HydrophobicContact CG2-CD1 3.95Å; T46-L68 HydrophobicContact CG2-CD2 4.47Å; T46-D72 WeakPolarHBondContact CB-OD1 3.34Å; T46-D72 HydrophobicContact CG2-CB 3.8Å; T46-D72 VanDerWaalsContact CG2-OD1 3.32Å; T46-D72 WeakPolarHBondContact CG2-OD1 3.46Å; T46-D72 PolarHBondContact OG1-OD1 2.94Å; T46-K75 HydrophobicContact CG2-CD 3.98Å
47	S	91.9	Very high	93.6	Very high	109 Å²	109	57 Å²	57	76%	0.762	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.6	176.3	75.9	0	0	0	0	113.9	S45	S45-S47 PolarHBondContact O-N 3.28Å; S45-S47 PolarHBondContact OG-N 3.33Å; S45-S47 PolarHBondContact OG-OG 3.39Å
48	E	93.5	Very high	93.6	Very high	90 Å²	90	55.4 Å²	55.4	42%	0.421	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.7	176.9	-66.7	142.1	-108.1	0	0	112.7	A43 S44 S45 T46 H50	A43-E48 HydrophobicContact CB-CB 3.84Å; S44-E48 WeakPolarHBondContact CB-OE2 3.25Å; S44-E48 PolarHBondContact N-OE2 3.12Å; S45-E48 VanDerWaalsContact CB-OE1 3.24Å; S45-E48 WeakPolarHBondContact CB-OE1 3.03Å; S45-E48 PolarHBondContact N-OE1 2.81Å; S45-E48 PolarHBondContact O-N 3.47Å; S45-E48 PolarHBondContact OG-OE1 3.48Å; T46-E48 VanDerWaalsContact C-N 3.33Å; E48-H50 PolarHBondContact O-N 3.06Å; E48-H50 VanDerWaalsContact O-N 3.12Å
49	I	93.3	Very high	93.7	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.036	31%	0.305	C	S	.	.	S	Bend	trans	-66.6	114.4	-179.7	-58	179.1	0	0	0	109.4	L20 A43 T46 G51 V53 L54 I66 F76	L20-I49 HydrophobicContact CD1-CD1 4.31Å; L20-I49 HydrophobicContact CD2-CD1 4.21Å; A43-I49 HydrophobicContact CB-CG1 3.73Å; T46-I49 HydrophobicContact CG2-CD1 3.95Å; I49-G51 PolarHBondContact O-N 3.1Å; I49-V53 HydrophobicContact CG2-CB 3.81Å; I49-V53 HydrophobicContact CG2-CG1 3.73Å; I49-L54 HydrophobicContact CB-CD2 4.18Å; I49-L54 HydrophobicContact CB-CG 4.44Å; I49-L54 HydrophobicContact CG2-CD2 3.74Å; I49-L54 HydrophobicContact CG2-CG 3.92Å; I49-I66 HydrophobicContact CD1-CD1 4Å; I49-I66 HydrophobicContact CG1-CD1 4.49Å; I49-F76 HydrophobicContact CD1-CZ 3.97Å
50	H	92.9	Very high	93.8	Very high	135 Å²	135	53.1 Å²	53.1	63%	0.625	29%	0.292	S	S	*	.			trans	-58.4	135.4	-177.8	-178	67.3	0	0	0	112	E48 K52 V53	E48-H50 PolarHBondContact O-N 3.06Å; E48-H50 VanDerWaalsContact O-N 3.12Å; H50-K52 PolarHBondContact O-N 3.27Å; H50-V53 WeakPolarHBondContact O-CB 3.46Å; H50-V53 PolarHBondContact O-N 3.06Å
51	G	92.7	Very high	94	Very high	37 Å²	37	47.6 Å²	47.6	38%	0.381	27%	0.267	S	S	.	.	H	α-helix	trans	-50.7	-38.1	-170.6	0	0	0	0	0	115	I49 V53 L54 E55	I49-G51 PolarHBondContact O-N 3.1Å; G51-V53 PolarHBondContact O-N 3.16Å; G51-L54 WeakPolarHBondContact O-CB 3.48Å; G51-L54 PolarHBondContact O-N 3.45Å; G51-E55 WeakPolarHBondContact O-CG 3.44Å; G51-E55 PolarHBondContact O-N 3.27Å
52	K	92.7	Very high	94.2	Very high	110 Å²	110	46.1 Å²	46.1	48%	0.478	26%	0.258	S	S	.	.	H	α-helix	trans	-57	-34.5	175.6	-168.4	-179.1	179.3	-178.5	0	113.4	H50 E55 E56	H50-K52 PolarHBondContact O-N 3.27Å; K52-E55 PolarHBondContact O-N 3.34Å; K52-E56 WeakPolarHBondContact CE-OE1 3.39Å; K52-E56 WeakPolarHBondContact CE-OE2 3.17Å; K52-E56 HydrophobicContact CG-CG 4.21Å; K52-E56 IonicContact NZ-OE1 3.95Å; K52-E56 IonicContact NZ-OE2 1.79Å; K52-E56 WeakPolarHBondContact O-CB 3.44Å; K52-E56 PolarHBondContact O-N 3.26Å
53	V	94.7	Very high	94.2	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-69.9	-43.3	176.3	175.8	0	0	0	0	110.5	L16 A18 L20 I49 H50 G51 E55 A57 F76	L16-V53 HydrophobicContact CD2-CG2 4.4Å; A18-V53 HydrophobicContact CB-CG1 3.52Å; A18-V53 HydrophobicContact CB-CG2 4.48Å; L20-V53 HydrophobicContact CD2-CG1 4.44Å; I49-V53 HydrophobicContact CG2-CB 3.81Å; I49-V53 HydrophobicContact CG2-CG1 3.73Å; H50-V53 WeakPolarHBondContact O-CB 3.46Å; H50-V53 PolarHBondContact O-N 3.06Å; G51-V53 PolarHBondContact O-N 3.16Å; V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 PolarHBondContact O-N 2.85Å; V53-A57 HydrophobicContact CG1-CB 3.99Å; V53-A57 WeakPolarHBondContact O-CB 3.32Å; V53-A57 PolarHBondContact O-N 2.86Å; V53-F76 HydrophobicContact CG1-CE1 4.49Å
54	L	94.4	Very high	94.2	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-33.9	175.4	-59.7	174.7	0	0	0	111.8	I49 G51 K75 F76 K77	I49-L54 HydrophobicContact CB-CD2 4.18Å; I49-L54 HydrophobicContact CB-CG 4.44Å; I49-L54 HydrophobicContact CG2-CD2 3.74Å; I49-L54 HydrophobicContact CG2-CG 3.92Å; G51-L54 WeakPolarHBondContact O-CB 3.48Å; G51-L54 PolarHBondContact O-N 3.45Å; L54-K75 HydrophobicContact CD1-CB 4.37Å; L54-K75 HydrophobicContact CD2-CB 4.14Å; L54-F76 HydrophobicContact CD2-CD1 4.02Å; L54-F76 HydrophobicContact CD2-CD2 4.2Å; L54-F76 HydrophobicContact CD2-CE1 3.77Å; L54-F76 HydrophobicContact CD2-CE2 3.95Å; L54-F76 HydrophobicContact CD2-CG 4.24Å; L54-F76 HydrophobicContact CD2-CZ 3.74Å; L54-F76 CarbonylContact O-C 3.04Å; L54-F76 VanDerWaalsContact O-CA 3.31Å; L54-F76 WeakPolarHBondContact O-CA 3.48Å; L54-K77 PolarHBondContact O-N 3.21Å
55	E	94.7	Very high	94.2	Very high	99 Å²	99	47.3 Å²	47.3	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-85.2	-42.8	-179.8	-61.2	-164.7	130.1	0	0	114.2	G51 K52 V53 K77 S78	G51-E55 WeakPolarHBondContact O-CG 3.44Å; G51-E55 PolarHBondContact O-N 3.27Å; K52-E55 PolarHBondContact O-N 3.34Å; V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 PolarHBondContact O-N 2.85Å; E55-K77 HydrophobicContact CB-CD 4.48Å; E55-K77 HydrophobicContact CG-CD 4.01Å; E55-K77 IonicContact OE1-NZ 3.93Å; E55-K77 PolarHBondContact OE1-NZ 3.19Å; E55-S78 VanDerWaalsContact O-CB 3.31Å; E55-S78 WeakPolarHBondContact O-CB 3.24Å; E55-S78 PolarHBondContact O-OG 2.83Å
56	E	95.7	Very high	94.3	Very high	99 Å²	99	45.5 Å²	45.5	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-105.9	-16	-169.5	-63.5	-177.1	-163.5	0	0	115.5	L16 K52 V58	L16-E56 HydrophobicContact CD2-CB 4Å; K52-E56 WeakPolarHBondContact CE-OE1 3.39Å; K52-E56 WeakPolarHBondContact CE-OE2 3.17Å; K52-E56 HydrophobicContact CG-CG 4.21Å; K52-E56 IonicContact NZ-OE1 3.95Å; K52-E56 IonicContact NZ-OE2 1.79Å; K52-E56 WeakPolarHBondContact O-CB 3.44Å; K52-E56 PolarHBondContact O-N 3.26Å; E56-V58 PolarHBondContact O-N 3.14Å
57	A	96.2	Very high	94.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127	-174.9	0	0	0	0	0	111.7	L16 V53 S78 L79	L16-A57 HydrophobicContact CD2-CB 4.34Å; L16-A57 HydrophobicContact CG-CB 4.38Å; V53-A57 HydrophobicContact CG1-CB 3.99Å; V53-A57 WeakPolarHBondContact O-CB 3.32Å; V53-A57 PolarHBondContact O-N 2.86Å; A57-S78 CarbonylContact O-C 3.58Å; A57-L79 WeakPolarHBondContact O-CA 3.21Å; A57-L79 PolarHBondContact O-N 3.37Å; A57-L79 VanDerWaalsContact O-N 3.09Å
58	V	96.4	Very high	94.6	Very high	36 Å²	36	43.3 Å²	43.3	22%	0.218	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-29.3	177.6	-177.1	0	0	0	0	110.8	P15 L16 E56 K80 I81	P15-V58 HydrophobicContact CB-CB 3.98Å; P15-V58 HydrophobicContact CB-CG1 4.46Å; P15-V58 HydrophobicContact CB-CG2 3.84Å; L16-V58 PolarHBondContact O-N 2.84Å; E56-V58 PolarHBondContact O-N 3.14Å; V58-K80 HydrophobicContact CG1-CB 4.47Å; V58-K80 HydrophobicContact CG1-CD 4.02Å; V58-K80 HydrophobicContact CG1-CG 4.27Å; V58-K80 PolarHBondContact O-N 3.37Å; V58-I81 PolarHBondContact O-N 3.35Å
59	G	97	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.5	172.4	0	0	0	0	0	112.1	L16 V17 A18 I81	L16-G59 PolarHBondContact O-N 3.25Å; V17-G59 VanDerWaalsContact CA-O 3.3Å; V17-G59 WeakPolarHBondContact CA-O 3.14Å; A18-G59 PolarHBondContact N-O 3.43Å; G59-I81 CarbonylContact C-O 3.54Å; G59-I81 WeakPolarHBondContact CA-O 3.48Å
60	A	97.5	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.7	173	0	0	0	0	0	110.8	A18 L20 L79 I81 I82 V83	A18-A60 CarbonylContact O-C 3.59Å; A18-A60 WeakPolarHBondContact O-CA 3.4Å; L20-A60 HydrophobicContact CD1-CB 4.21Å; L20-A60 HydrophobicContact CD2-CB 4.34Å; L20-A60 HydrophobicContact CG-CB 4.26Å; A60-L79 HydrophobicContact CB-CD1 3.87Å; A60-I81 PolarHBondContact N-O 3.23Å; A60-I82 HydrophobicContact CB-CG1 4.26Å; A60-I82 CarbonylContact O-C 3.57Å; A60-I82 WeakPolarHBondContact O-CA 3.22Å; A60-V83 PolarHBondContact O-N 2.85Å
61	L	97.5	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.3	171.1	-78.9	159.9	0	0	0	107.5	V17 A18 L19 L20 E28 V83 I85 A318 I322	V17-L61 HydrophobicContact CG1-CD1 3.91Å; V17-L61 HydrophobicContact CG1-CG 4.47Å; A18-L61 PolarHBondContact O-N 3.46Å; L19-L61 CarbonylContact C-O 3.58Å; L19-L61 WeakPolarHBondContact CA-O 3.41Å; L19-L61 HydrophobicContact CD1-CB 3.98Å; L20-L61 PolarHBondContact N-O 3.41Å; E28-L61 HydrophobicContact CG-CD1 4.14Å; L61-V83 WeakPolarHBondContact CA-O 3.17Å; L61-V83 HydrophobicContact CD2-CB 3.97Å; L61-V83 HydrophobicContact CD2-CG1 4.28Å; L61-I85 HydrophobicContact CB-CD1 4.21Å; L61-I85 HydrophobicContact CD2-CD1 4.21Å; L61-I85 HydrophobicContact CD2-CG1 4.01Å; L61-A318 HydrophobicContact CD2-CB 3.7Å; L61-I322 HydrophobicContact CD1-CG1 4.26Å; L61-I322 HydrophobicContact CD2-CG1 3.95Å; L61-I322 HydrophobicContact CG-CD1 4.3Å; L61-I322 HydrophobicContact CG-CG1 3.96Å
62	M	97.2	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151	179.3	58.9	-177.5	-78.5	0	0	113.9	L20 D21 I66 L68 I82 V83 R84 I85 N91 I92	L20-M62 HydrophobicContact CB-CB 4.33Å; L20-M62 HydrophobicContact CD1-CB 4.38Å; L20-M62 HydrophobicContact CD1-SD 4.32Å; L20-M62 HydrophobicContact CG-CB 4.46Å; D21-M62 WeakPolarHBondContact OD1-CA 3.49Å; M62-I66 HydrophobicContact CB-CG2 4.18Å; M62-I66 HydrophobicContact CE-CG2 3.65Å; M62-I66 WeakPolarHBondContact CE-O 3.34Å; M62-I66 HydrophobicContact SD-CG2 4.42Å; M62-L68 HydrophobicContact CE-CD1 4.26Å; M62-L68 HydrophobicContact CE-CG 4.21Å; M62-L68 HydrophobicContact SD-CD1 3.52Å; M62-L68 VanDerWaalsContact SD-CD1 3.52Å; M62-L68 HydrophobicContact SD-CG 4.12Å; M62-I82 HydrophobicContact CG-CG2 3.94Å; M62-I82 HydrophobicContact SD-CG2 3.63Å; M62-V83 PolarHBondContact N-O 3.09Å; M62-V83 VanDerWaalsContact N-O 3.15Å; M62-R84 CarbonylContact O-C 3.43Å; M62-R84 WeakPolarHBondContact O-CA 3.37Å; M62-I85 PolarHBondContact O-N 3.28Å; M62-N91 VanDerWaalsContact CE-ND2 3.31Å; M62-N91 WeakPolarHBondContact CE-ND2 3.22Å; M62-I92 HydrophobicContact CE-CD1 4.02Å; M62-I92 HydrophobicContact CE-CG1 3.79Å; M62-I92 HydrophobicContact SD-CD1 3.77Å; M62-I92 HydrophobicContact SD-CG1 4.04Å
63	W	94.8	Very high	95.5	Very high	37 Å²	37	37.9 Å²	37.9	14%	0.14	20%	0.195	C	C	.	.			trans	-89	-145.5	174.4	-59.5	92.2	0	0	0	110.1	D21 R84 I85 N91 M311 M314 R315	D21-W63 VanDerWaalsContact CG-N 3.28Å; D21-W63 PolarHBondContact OD1-N 3.15Å; D21-W63 VanDerWaalsContact OD2-C 3.31Å; D21-W63 WeakPolarHBondContact OD2-CA 3.44Å; D21-W63 WeakPolarHBondContact OD2-CB 3.38Å; D21-W63 PolarHBondContact OD2-N 3.49Å; W63-R84 VanDerWaalsContact C-NH1 3.28Å; W63-R84 WeakPolarHBondContact O-CD 3.36Å; W63-R84 PolarHBondContact O-NE 3.04Å; W63-R84 VanDerWaalsContact O-NE 3.16Å; W63-R84 PolarHBondContact O-NH1 2.71Å; W63-I85 HydrophobicContact CD2-CB 4.01Å; W63-I85 HydrophobicContact CD2-CD1 4.48Å; W63-I85 HydrophobicContact CD2-CG2 3.96Å; W63-I85 HydrophobicContact CE3-CB 4.05Å; W63-I85 HydrophobicContact CE3-CG2 3.68Å; W63-I85 HydrophobicContact CH2-CG2 3.57Å; W63-I85 HydrophobicContact CZ2-CD1 4.22Å; W63-I85 HydrophobicContact CZ2-CG2 3.81Å; W63-I85 HydrophobicContact CZ3-CB 4.37Å; W63-I85 HydrophobicContact CZ3-CG2 3.5Å; W63-N91 PolarHBondContact O-ND2 3.1Å; W63-M311 HydrophobicContact CH2-CE 3.96Å; W63-M311 HydrophobicContact CH2-CG 4.37Å; W63-M311 HydrophobicContact CZ3-CE 4.26Å; W63-M314 HydrophobicContact CH2-CE 4.2Å; W63-M314 HydrophobicContact CZ3-CE 3.58Å; W63-M314 HydrophobicContact CZ3-SD 4.44Å; W63-R315 HydrophobicContact CH2-CG 4Å; W63-R315 HydrophobicContact CZ2-CG 4.13Å
64	H	91.6	Very high	95.5	Very high	57 Å²	57	42.8 Å²	42.8	26%	0.264	22%	0.218	S	C	.	.	S	Bend	trans	-104.2	-3.6	-177.7	65.8	-103.2	0	0	0	113.8	E282 H302	H64-E282 IonicContact CD2-OE2 3.58Å; H64-H302 AromaticContact CD2-CE1 3.96Å; H64-H302 AromaticContact CD2-ND1 3.81Å; H64-H302 AromaticContact CE1-CG 3.99Å; H64-H302 AromaticContact CE1-ND1 3.77Å; H64-H302 AromaticContact CG-CE1 3.88Å; H64-H302 AromaticContact ND1-CE1 3.9Å; H64-H302 AromaticContact NE2-ND1 3.6Å
65	T	90.7	Very high	95.6	Very high	84 Å²	84	45.8 Å²	45.8	52%	0.515	23%	0.229	S	C	.	.	S	Bend	trans	-90.3	-29.8	-168.2	42	0	0	0	0	113.3	D21	D21-T65 WeakPolarHBondContact CB-OG1 3.47Å; D21-T65 PolarHBondContact OD2-N 2.84Å; D21-T65 PolarHBondContact OD2-OG1 2.92Å; D21-T65 VanDerWaalsContact OD2-OG1 3.11Å
66	I	93.4	Very high	95.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-92.7	144.9	167.5	-162.4	169.9	0	0	0	111.2	L20 D21 A43 I49 M62 N91	L20-I66 HydrophobicContact CB-CG2 4.34Å; D21-I66 HydrophobicContact CB-CB 3.91Å; D21-I66 HydrophobicContact CB-CG2 3.75Å; D21-I66 WeakPolarHBondContact OD2-CG2 3.16Å; D21-I66 PolarHBondContact OD2-N 3.12Å; A43-I66 HydrophobicContact CB-CD1 4.43Å; I49-I66 HydrophobicContact CD1-CD1 4Å; I49-I66 HydrophobicContact CG1-CD1 4.49Å; M62-I66 HydrophobicContact CB-CG2 4.18Å; M62-I66 HydrophobicContact CE-CG2 3.65Å; M62-I66 WeakPolarHBondContact CE-O 3.34Å; M62-I66 HydrophobicContact SD-CG2 4.42Å; I66-N91 PolarHBondContact O-ND2 2.95Å
67	S	94.1	Very high	95.6	Very high	72 Å²	72	44.1 Å²	44.1	50%	0.503	22%	0.219	S	C	.	.			trans	-113.3	142.3	171.1	-64.2	0	0	0	0	111	N91	S67-N91 CarbonylContact C-O 3.52Å; S67-N91 VanDerWaalsContact CA-O 3.3Å; S67-N91 WeakPolarHBondContact CA-O 3.29Å
68	L	96.5	Very high	95.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-118.5	100.4	179.6	-64.3	-178.7	0	0	0	110.6	L20 T46 M62 D72 L73 F76 I82 N91 D93	L20-L68 HydrophobicContact CD1-CD1 4.19Å; T46-L68 HydrophobicContact CG2-CD2 4.47Å; M62-L68 HydrophobicContact CE-CD1 4.26Å; M62-L68 HydrophobicContact CE-CG 4.21Å; M62-L68 HydrophobicContact SD-CD1 3.52Å; M62-L68 VanDerWaalsContact SD-CD1 3.52Å; M62-L68 HydrophobicContact SD-CG 4.12Å; L68-D72 HydrophobicContact CD2-CB 4.08Å; L68-L73 HydrophobicContact CB-CD2 4.15Å; L68-L73 HydrophobicContact CB-CG 4.25Å; L68-L73 HydrophobicContact CD1-CD2 4.16Å; L68-F76 HydrophobicContact CD2-CE2 4.33Å; L68-I82 HydrophobicContact CD1-CD1 3.92Å; L68-N91 PolarHBondContact N-O 3.1Å; L68-D93 PolarHBondContact O-N 3.23Å; L68-D93 VanDerWaalsContact O-N 3.07Å
69	T	96.5	Very high	95.6	Very high	62 Å²	62	45.4 Å²	45.4	38%	0.38	23%	0.228	S	C	.	.			trans	-72.6	171.5	170.7	64.6	0	0	0	0	111.7	E71 D72 L73	T69-E71 PolarHBondContact O-N 2.89Å; T69-E71 PolarHBondContact OG1-N 2.87Å; T69-D72 WeakPolarHBondContact CB-OD2 3.41Å; T69-D72 PolarHBondContact N-OD2 3.26Å; T69-D72 WeakPolarHBondContact O-CB 3.43Å; T69-D72 PolarHBondContact O-N 3.44Å; T69-D72 VanDerWaalsContact O-N 3.12Å; T69-D72 PolarHBondContact OG1-N 3.3Å; T69-D72 VanDerWaalsContact OG1-N 3.11Å; T69-D72 PolarHBondContact OG1-OD2 3.13Å; T69-L73 VanDerWaalsContact O-CG 3.28Å; T69-L73 WeakPolarHBondContact O-CG 3.28Å; T69-L73 PolarHBondContact O-N 3.39Å
70	R	96.6	Very high	95.5	Very high	70 Å²	70	51 Å²	51	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-54.6	-42.8	169.6	174.7	171.9	-67.5	-100.8	-3.1	112	D72 L73 Q74 D93 A96 E99	R70-D72 VanDerWaalsContact C-N 3.28Å; R70-D72 PolarHBondContact O-N 3.07Å; R70-L73 PolarHBondContact O-N 3.14Å; R70-Q74 VanDerWaalsContact O-CG 3.29Å; R70-Q74 WeakPolarHBondContact O-CG 3.31Å; R70-Q74 PolarHBondContact O-N 2.72Å; R70-D93 IonicContact NE-OD2 3.5Å; R70-A96 HydrophobicContact CB-CB 3.8Å; R70-A96 HydrophobicContact CG-CB 3.94Å; R70-E99 IonicContact CZ-OE2 2.87Å; R70-E99 IonicContact NH1-OE2 2.69Å; R70-E99 PolarHBondContact NH1-OE2 2.86Å; R70-E99 IonicContact NH2-OE1 3.98Å; R70-E99 PolarHBondContact NH2-OE1 3.09Å; R70-E99 IonicContact NH2-OE2 3.3Å; R70-E99 PolarHBondContact NH2-OE2 2.84Å
71	E	96.4	Very high	95.5	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-29.1	179.7	-65.1	63.5	-142	0	0	111.6	T69 K75	T69-E71 PolarHBondContact O-N 2.89Å; T69-E71 PolarHBondContact OG1-N 2.87Å; E71-K75 WeakPolarHBondContact O-CE 3.43Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å
72	D	96.4	Very high	95.6	Very high	18 Å²	18	51 Å²	51	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-76	-46.5	172.5	-65.3	-53	0	0	0	112.4	T46 L68 T69 R70 Q74 K75 F76	T46-D72 WeakPolarHBondContact CB-OD1 3.34Å; T46-D72 HydrophobicContact CG2-CB 3.8Å; T46-D72 VanDerWaalsContact CG2-OD1 3.32Å; T46-D72 WeakPolarHBondContact CG2-OD1 3.46Å; T46-D72 PolarHBondContact OG1-OD1 2.94Å; L68-D72 HydrophobicContact CD2-CB 4.08Å; T69-D72 WeakPolarHBondContact CB-OD2 3.41Å; T69-D72 PolarHBondContact N-OD2 3.26Å; T69-D72 WeakPolarHBondContact O-CB 3.43Å; T69-D72 PolarHBondContact O-N 3.44Å; T69-D72 VanDerWaalsContact O-N 3.12Å; T69-D72 PolarHBondContact OG1-N 3.3Å; T69-D72 VanDerWaalsContact OG1-N 3.11Å; T69-D72 PolarHBondContact OG1-OD2 3.13Å; R70-D72 VanDerWaalsContact C-N 3.28Å; R70-D72 PolarHBondContact O-N 3.07Å; D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 3.36Å; D72-K75 VanDerWaalsContact O-CB 3.31Å; D72-K75 WeakPolarHBondContact O-CB 3.33Å; D72-K75 PolarHBondContact O-N 2.85Å; D72-K75 IonicContact OD1-NZ 2.73Å; D72-K75 PolarHBondContact OD1-NZ 3.46Å; D72-F76 WeakPolarHBondContact O-CD2 3.46Å
73	L	96.5	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-37	178.9	-68	164.7	0	0	0	111.6	L68 T69 R70 K75 F76 I82 D93 A96 A97 L100 I102	L68-L73 HydrophobicContact CB-CD2 4.15Å; L68-L73 HydrophobicContact CB-CG 4.25Å; L68-L73 HydrophobicContact CD1-CD2 4.16Å; T69-L73 VanDerWaalsContact O-CG 3.28Å; T69-L73 WeakPolarHBondContact O-CG 3.28Å; T69-L73 PolarHBondContact O-N 3.39Å; R70-L73 PolarHBondContact O-N 3.14Å; L73-K75 PolarHBondContact O-N 2.88Å; L73-F76 PolarHBondContact O-N 2.84Å; L73-F76 VanDerWaalsContact O-N 3.17Å; L73-I82 HydrophobicContact CD2-CD1 3.45Å; L73-I82 VanDerWaalsContact CD2-CD1 3.45Å; L73-D93 HydrophobicContact CD1-CB 4.27Å; L73-D93 WeakPolarHBondContact CD1-O 3.39Å; L73-A96 HydrophobicContact CD1-CB 4Å; L73-A97 HydrophobicContact CD1-CB 4Å; L73-A97 HydrophobicContact CD2-CB 4.47Å; L73-L100 HydrophobicContact CB-CD1 3.61Å; L73-I102 HydrophobicContact CB-CD1 4.43Å; L73-I102 HydrophobicContact CD2-CD1 4.2Å
74	Q	96.2	Very high	95.7	Very high	117 Å²	117	49.4 Å²	49.4	55%	0.547	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.5	174.6	-76.8	175.2	0.4	0	0	114.8	R70 D72 F76 L100	R70-Q74 VanDerWaalsContact O-CG 3.29Å; R70-Q74 WeakPolarHBondContact O-CG 3.31Å; R70-Q74 PolarHBondContact O-N 2.72Å; D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 3.36Å; Q74-F76 VanDerWaalsContact C-N 3.31Å; Q74-L100 HydrophobicContact CG-CD1 4.08Å; Q74-L100 HydrophobicContact CG-CD2 4.15Å
75	K	96.1	Very high	95.9	Very high	90 Å²	90	46.9 Å²	46.9	39%	0.391	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.7	176.6	-61.6	162.7	-168.5	163.5	0	111.9	T46 L54 E71 D72 L73	T46-K75 HydrophobicContact CG2-CD 3.98Å; L54-K75 HydrophobicContact CD1-CB 4.37Å; L54-K75 HydrophobicContact CD2-CB 4.14Å; E71-K75 WeakPolarHBondContact O-CE 3.43Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å; D72-K75 VanDerWaalsContact O-CB 3.31Å; D72-K75 WeakPolarHBondContact O-CB 3.33Å; D72-K75 PolarHBondContact O-N 2.85Å; D72-K75 IonicContact OD1-NZ 2.73Å; D72-K75 PolarHBondContact OD1-NZ 3.46Å; L73-K75 PolarHBondContact O-N 2.88Å
76	F	96.1	Very high	96.1	Very high	16 Å²	16	43.1 Å²	43.1	7%	0.07	21%	0.213	C	C	.	.			trans	-83.9	115.2	-178.6	-69.6	-90.2	0	0	0	111.6	L20 I49 V53 L54 L68 D72 L73 Q74 L79	L20-F76 HydrophobicContact CD1-CZ 4.34Å; I49-F76 HydrophobicContact CD1-CZ 3.97Å; V53-F76 HydrophobicContact CG1-CE1 4.49Å; L54-F76 HydrophobicContact CD2-CD1 4.02Å; L54-F76 HydrophobicContact CD2-CD2 4.2Å; L54-F76 HydrophobicContact CD2-CE1 3.77Å; L54-F76 HydrophobicContact CD2-CE2 3.95Å; L54-F76 HydrophobicContact CD2-CG 4.24Å; L54-F76 HydrophobicContact CD2-CZ 3.74Å; L54-F76 CarbonylContact O-C 3.04Å; L54-F76 VanDerWaalsContact O-CA 3.31Å; L54-F76 WeakPolarHBondContact O-CA 3.48Å; L68-F76 HydrophobicContact CD2-CE2 4.33Å; D72-F76 WeakPolarHBondContact O-CD2 3.46Å; L73-F76 PolarHBondContact O-N 2.84Å; L73-F76 VanDerWaalsContact O-N 3.17Å; Q74-F76 VanDerWaalsContact C-N 3.31Å; F76-L79 HydrophobicContact CB-CB 3.69Å; F76-L79 HydrophobicContact CB-CD2 3.92Å; F76-L79 HydrophobicContact CB-CG 4.47Å; F76-L79 HydrophobicContact CD1-CB 4.27Å; F76-L79 HydrophobicContact CD1-CD2 3.8Å; F76-L79 HydrophobicContact CD2-CD2 4.11Å; F76-L79 HydrophobicContact CE1-CD2 4.28Å; F76-L79 HydrophobicContact CG-CB 4.23Å; F76-L79 HydrophobicContact CG-CD2 3.69Å
77	K	94.6	Very high	96.1	Very high	148 Å²	148	46 Å²	46	64%	0.643	23%	0.233	S	C	*	.	S	Bend	trans	-87.2	-26.2	-173.9	-55.9	-175.4	-173.6	175.7	0	114.4	L54 E55	L54-K77 PolarHBondContact O-N 3.21Å; E55-K77 HydrophobicContact CB-CD 4.48Å; E55-K77 HydrophobicContact CG-CD 4.01Å; E55-K77 IonicContact OE1-NZ 3.93Å; E55-K77 PolarHBondContact OE1-NZ 3.19Å
78	S	95.2	Very high	95.9	Very high	50 Å²	50	43 Å²	43	35%	0.35	21%	0.214	S	C	.	.	S	Bend	trans	-120.8	-1.8	-171.5	-64.2	0	0	0	0	114.6	E55 A57	E55-S78 VanDerWaalsContact O-CB 3.31Å; E55-S78 WeakPolarHBondContact O-CB 3.24Å; E55-S78 PolarHBondContact O-OG 2.83Å; A57-S78 CarbonylContact O-C 3.58Å
79	L	96.9	Very high	95.8	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	23%	0.227	C	C	.	.			trans	-72.4	135.1	-169.4	-172.6	65.5	0	0	0	111.4	A57 A60 F76 I81 I82 I102	A57-L79 WeakPolarHBondContact O-CA 3.21Å; A57-L79 PolarHBondContact O-N 3.37Å; A57-L79 VanDerWaalsContact O-N 3.09Å; A60-L79 HydrophobicContact CB-CD1 3.87Å; F76-L79 HydrophobicContact CB-CB 3.69Å; F76-L79 HydrophobicContact CB-CD2 3.92Å; F76-L79 HydrophobicContact CB-CG 4.47Å; F76-L79 HydrophobicContact CD1-CB 4.27Å; F76-L79 HydrophobicContact CD1-CD2 3.8Å; F76-L79 HydrophobicContact CD2-CD2 4.11Å; F76-L79 HydrophobicContact CE1-CD2 4.28Å; F76-L79 HydrophobicContact CG-CB 4.23Å; F76-L79 HydrophobicContact CG-CD2 3.69Å; L79-I81 WeakPolarHBondContact CD1-O 3.35Å; L79-I82 HydrophobicContact CD2-CD1 4.06Å; L79-I82 HydrophobicContact CD2-CG1 3.78Å; L79-I82 HydrophobicContact CG-CG1 4.44Å; L79-I102 HydrophobicContact CD2-CD1 4.29Å; L79-I102 HydrophobicContact CD2-CG2 4.3Å; L79-I102 HydrophobicContact CG-CG2 4.2Å
80	K	96	Very high	95.6	Very high	117 Å²	117	46.6 Å²	46.6	51%	0.509	23%	0.226	S	C	.	.			trans	-125.4	-22.5	-178.8	-60.3	-178.3	-174.8	175.2	0	113.4	V58 A103 I330	V58-K80 HydrophobicContact CG1-CB 4.47Å; V58-K80 HydrophobicContact CG1-CD 4.02Å; V58-K80 HydrophobicContact CG1-CG 4.27Å; V58-K80 PolarHBondContact O-N 3.37Å; K80-A103 PolarHBondContact O-N 3.47Å; K80-I330 HydrophobicContact CB-CD1 3.88Å
81	I	97.5	Very high	95.4	Very high	3 Å²	3	44 Å²	44	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.8	176.5	-173.3	168.5	0	0	0	111.9	V58 G59 A60 L79 V83 A103 I322 A325 I330 L334	V58-I81 PolarHBondContact O-N 3.35Å; G59-I81 CarbonylContact C-O 3.54Å; G59-I81 WeakPolarHBondContact CA-O 3.48Å; A60-I81 PolarHBondContact N-O 3.23Å; L79-I81 WeakPolarHBondContact CD1-O 3.35Å; I81-V83 HydrophobicContact CD1-CG2 3.65Å; I81-V83 HydrophobicContact CG1-CG2 3.81Å; I81-A103 CarbonylContact C-O 3.6Å; I81-A103 VanDerWaalsContact CA-O 3.26Å; I81-A103 WeakPolarHBondContact CA-O 3.42Å; I81-I322 HydrophobicContact CG2-CD1 3.89Å; I81-A325 HydrophobicContact CB-CB 4.24Å; I81-A325 HydrophobicContact CD1-CB 3.55Å; I81-A325 HydrophobicContact CG1-CB 4.48Å; I81-A325 HydrophobicContact CG2-CB 3.81Å; I81-I330 HydrophobicContact CB-CD1 4.37Å; I81-L334 HydrophobicContact CD1-CD1 4.11Å; I81-L334 HydrophobicContact CD1-CD2 3.8Å
82	I	97.9	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.7	162	-60.5	161.3	0	0	0	107.3	A60 M62 L68 L73 L79 I92 I102 A103 V104 C105	A60-I82 HydrophobicContact CB-CG1 4.26Å; A60-I82 CarbonylContact O-C 3.57Å; A60-I82 WeakPolarHBondContact O-CA 3.22Å; M62-I82 HydrophobicContact CG-CG2 3.94Å; M62-I82 HydrophobicContact SD-CG2 3.63Å; L68-I82 HydrophobicContact CD1-CD1 3.92Å; L73-I82 HydrophobicContact CD2-CD1 3.45Å; L73-I82 VanDerWaalsContact CD2-CD1 3.45Å; L79-I82 HydrophobicContact CD2-CD1 4.06Å; L79-I82 HydrophobicContact CD2-CG1 3.78Å; L79-I82 HydrophobicContact CG-CG1 4.44Å; I82-I92 HydrophobicContact CD1-CG2 4.49Å; I82-I92 HydrophobicContact CG2-CD1 3.76Å; I82-I102 HydrophobicContact CD1-CG2 3.83Å; I82-I102 HydrophobicContact CG1-CG2 3.87Å; I82-A103 PolarHBondContact N-O 3.14Å; I82-V104 CarbonylContact O-C 3.21Å; I82-V104 WeakPolarHBondContact O-CA 3.47Å; I82-C105 PolarHBondContact O-N 3.4Å
83	V	98	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.8	173.3	-175.8	0	0	0	0	109.2	A60 L61 M62 I81 I85 C105 A318 E321 I322	A60-V83 PolarHBondContact O-N 2.85Å; L61-V83 WeakPolarHBondContact CA-O 3.17Å; L61-V83 HydrophobicContact CD2-CB 3.97Å; L61-V83 HydrophobicContact CD2-CG1 4.28Å; M62-V83 PolarHBondContact N-O 3.09Å; M62-V83 VanDerWaalsContact N-O 3.15Å; I81-V83 HydrophobicContact CD1-CG2 3.65Å; I81-V83 HydrophobicContact CG1-CG2 3.81Å; V83-I85 PolarHBondContact O-N 3.02Å; V83-C105 WeakPolarHBondContact CA-O 3.44Å; V83-C105 HydrophobicContact CG1-CB 4.38Å; V83-C105 HydrophobicContact CG2-CB 4.16Å; V83-A318 HydrophobicContact CG1-CB 3.77Å; V83-E321 HydrophobicContact CG1-CB 4.31Å; V83-E321 HydrophobicContact CG2-CB 4.26Å; V83-E321 HydrophobicContact CG2-CG 4.4Å; V83-I322 HydrophobicContact CB-CD1 4.18Å; V83-I322 HydrophobicContact CB-CG1 4.37Å; V83-I322 HydrophobicContact CG2-CD1 3.47Å; V83-I322 VanDerWaalsContact CG2-CD1 3.47Å; V83-I322 HydrophobicContact CG2-CG1 3.81Å
84	R	97.5	Very high	95.3	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.8	168.3	-81.9	-75.1	-96.3	113.8	-11.7	109.7	M62 W63 G86 G88 N91 I92 C105 N106 V107	M62-R84 CarbonylContact O-C 3.43Å; M62-R84 WeakPolarHBondContact O-CA 3.37Å; W63-R84 VanDerWaalsContact C-NH1 3.28Å; W63-R84 WeakPolarHBondContact O-CD 3.36Å; W63-R84 PolarHBondContact O-NE 3.04Å; W63-R84 VanDerWaalsContact O-NE 3.16Å; W63-R84 PolarHBondContact O-NH1 2.71Å; R84-G86 PolarHBondContact O-N 2.97Å; R84-G88 PolarHBondContact NE-O 2.69Å; R84-G88 PolarHBondContact NH2-O 3.28Å; R84-N91 PolarHBondContact NE-ND2 3.22Å; R84-N91 PolarHBondContact NE-OD1 2.99Å; R84-N91 PolarHBondContact NH2-OD1 2.81Å; R84-I92 HydrophobicContact CG-CD1 3.61Å; R84-C105 PolarHBondContact N-O 3.5Å; R84-N106 HydrophobicContact CB-CB 4.47Å; R84-V107 PolarHBondContact O-N 2.86Å
85	I	96.1	Very high	95.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	21%	0.208	C	C	.	.	S	Bend	trans	-73	78.4	159.7	-49.7	-179.8	0	0	0	105.6	L19 L61 M62 W63 V83 M314 R315 A318	L19-I85 HydrophobicContact CD1-CD1 3.8Å; L61-I85 HydrophobicContact CB-CD1 4.21Å; L61-I85 HydrophobicContact CD2-CD1 4.21Å; L61-I85 HydrophobicContact CD2-CG1 4.01Å; M62-I85 PolarHBondContact O-N 3.28Å; W63-I85 HydrophobicContact CD2-CB 4.01Å; W63-I85 HydrophobicContact CD2-CD1 4.48Å; W63-I85 HydrophobicContact CD2-CG2 3.96Å; W63-I85 HydrophobicContact CE3-CB 4.05Å; W63-I85 HydrophobicContact CE3-CG2 3.68Å; W63-I85 HydrophobicContact CH2-CG2 3.57Å; W63-I85 HydrophobicContact CZ2-CD1 4.22Å; W63-I85 HydrophobicContact CZ2-CG2 3.81Å; W63-I85 HydrophobicContact CZ3-CB 4.37Å; W63-I85 HydrophobicContact CZ3-CG2 3.5Å; V83-I85 PolarHBondContact O-N 3.02Å; I85-M314 HydrophobicContact CG2-CE 4.13Å; I85-M314 HydrophobicContact CG2-CG 3.68Å; I85-M314 HydrophobicContact CG2-SD 3.75Å; I85-R315 HydrophobicContact CG2-CG 3.96Å; I85-A318 HydrophobicContact CG1-CB 4.01Å
86	G	93.7	Very high	95.3	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	19%	0.189	C	C	.	.	S	Bend	trans	158	168.4	-172.1	0	0	0	0	0	112.8	R84 N106 V107 M314	R84-G86 PolarHBondContact O-N 2.97Å; G86-N106 WeakPolarHBondContact O-CB 3.18Å; G86-V107 PolarHBondContact O-N 2.68Å; G86-M314 PolarHBondContact N-SD 2.97Å; G86-M314 VanDerWaalsContact N-SD 3.38Å
87	S	92.7	Very high	95.4	Very high	60 Å²	60	36.9 Å²	36.9	42%	0.42	19%	0.186	S	C	.	.	S	Bend	trans	-92.7	-43.6	-175.8	51	0	0	0	0	113	N106	S87-N106 PolarHBondContact O-ND2 2.81Å
88	G	90.5	Very high	95.4	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	16%	0.155	C	C	.	.			trans	-79.2	152.9	169.8	0	0	0	0	0	112.3	R84	R84-G88 PolarHBondContact NE-O 2.69Å; R84-G88 PolarHBondContact NH2-O 3.28Å
89	Y	94	Very high	95.4	Very high	75 Å²	75	31.8 Å²	31.8	29%	0.294	16%	0.159	S	C	.	.			trans	-135.5	18.6	-174.4	45.1	-93	0	0	0	111.3	N91 I92 I94 N106 V338	Y89-N91 PolarHBondContact O-N 2.97Å; Y89-I92 PolarHBondContact O-N 3.05Å; Y89-I92 VanDerWaalsContact O-N 3.15Å; Y89-I94 HydrophobicContact CD2-CD1 4.17Å; Y89-I94 HydrophobicContact CD2-CG2 3.96Å; Y89-I94 HydrophobicContact CE2-CD1 3.96Å; Y89-N106 HydrophobicContact CD1-CB 4.27Å; Y89-V338 HydrophobicContact CD1-CB 4.47Å; Y89-V338 HydrophobicContact CD1-CG1 4.27Å; Y89-V338 HydrophobicContact CD1-CG2 4.09Å; Y89-V338 HydrophobicContact CD2-CG2 4.2Å; Y89-V338 HydrophobicContact CE1-CB 4.32Å; Y89-V338 HydrophobicContact CE1-CG1 4.09Å; Y89-V338 HydrophobicContact CE1-CG2 4.4Å; Y89-V338 HydrophobicContact CE2-CG2 4.48Å; Y89-V338 HydrophobicContact CG-CG2 3.98Å
90	D	92.4	Very high	95.4	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.6	-176.3	44.6	-65.1	0	0	0	114.7	L226 R253	D90-L226 HydrophobicContact CB-CB 4.3Å; D90-R253 IonicContact OD1-CZ 3.81Å; D90-R253 IonicContact OD1-NE 3.21Å; D90-R253 PolarHBondContact OD1-NE 3.16Å; D90-R253 IonicContact OD1-NH2 3.69Å; D90-R253 PolarHBondContact OD1-NH2 2.94Å; D90-R253 WeakPolarHBondContact OD2-CD 3.45Å; D90-R253 IonicContact OD2-CZ 2.75Å; D90-R253 IonicContact OD2-NE 3.79Å; D90-R253 PolarHBondContact OD2-NE 2.94Å
91	N	93.4	Very high	95.3	Very high	16 Å²	16	30.7 Å²	30.7	9%	0.086	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	14	174.3	60.3	-41.8	0	0	0	113.9	M62 W63 I66 S67 L68 R84 Y89	M62-N91 VanDerWaalsContact CE-ND2 3.31Å; M62-N91 WeakPolarHBondContact CE-ND2 3.22Å; W63-N91 PolarHBondContact O-ND2 3.1Å; I66-N91 PolarHBondContact O-ND2 2.95Å; S67-N91 CarbonylContact C-O 3.52Å; S67-N91 VanDerWaalsContact CA-O 3.3Å; S67-N91 WeakPolarHBondContact CA-O 3.29Å; L68-N91 PolarHBondContact N-O 3.1Å; R84-N91 PolarHBondContact NE-ND2 3.22Å; R84-N91 PolarHBondContact NE-OD1 2.99Å; R84-N91 PolarHBondContact NH2-OD1 2.81Å; Y89-N91 PolarHBondContact O-N 2.97Å
92	I	96.1	Very high	95.3	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.067	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-131.4	131.5	176.8	-56.1	168.8	0	0	0	109	M62 I82 R84 Y89 I94 V104	M62-I92 HydrophobicContact CE-CD1 4.02Å; M62-I92 HydrophobicContact CE-CG1 3.79Å; M62-I92 HydrophobicContact SD-CD1 3.77Å; M62-I92 HydrophobicContact SD-CG1 4.04Å; I82-I92 HydrophobicContact CD1-CG2 4.49Å; I82-I92 HydrophobicContact CG2-CD1 3.76Å; R84-I92 HydrophobicContact CG-CD1 3.61Å; Y89-I92 PolarHBondContact O-N 3.05Å; Y89-I92 VanDerWaalsContact O-N 3.15Å; I92-I94 HydrophobicContact CB-CG2 4.31Å; I92-I94 HydrophobicContact CG2-CG2 4.32Å; I92-I94 PolarHBondContact O-N 2.93Å; I92-V104 HydrophobicContact CD1-CG1 3.94Å; I92-V104 HydrophobicContact CG2-CG2 4.11Å
93	D	95.6	Very high	95.3	Very high	54 Å²	54	30.8 Å²	30.8	29%	0.289	17%	0.166	S	C	.	.			trans	-70.3	84.2	164.3	-175.9	-11.6	0	0	0	109.5	L68 R70 L73 K95 A96 A97	L68-D93 PolarHBondContact O-N 3.23Å; L68-D93 VanDerWaalsContact O-N 3.07Å; R70-D93 IonicContact NE-OD2 3.5Å; L73-D93 HydrophobicContact CD1-CB 4.27Å; L73-D93 WeakPolarHBondContact CD1-O 3.39Å; D93-K95 PolarHBondContact O-N 3.2Å; D93-K95 WeakPolarHBondContact OD1-CB 3.18Å; D93-K95 PolarHBondContact OD1-N 2.88Å; D93-K95 VanDerWaalsContact OD1-N 3.16Å; D93-A96 HydrophobicContact CB-CB 3.94Å; D93-A96 PolarHBondContact O-N 3.32Å; D93-A96 PolarHBondContact OD1-N 2.89Å; D93-A96 WeakPolarHBondContact OD2-CB 3.2Å; D93-A97 WeakPolarHBondContact O-CB 3.3Å; D93-A97 PolarHBondContact O-N 3.15Å
94	I	95.9	Very high	95.2	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.169	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-23.9	-178.1	62.7	169.2	0	0	0	113.1	Y89 I92 G98 V104 N339	Y89-I94 HydrophobicContact CD2-CD1 4.17Å; Y89-I94 HydrophobicContact CD2-CG2 3.96Å; Y89-I94 HydrophobicContact CE2-CD1 3.96Å; I92-I94 HydrophobicContact CB-CG2 4.31Å; I92-I94 HydrophobicContact CG2-CG2 4.32Å; I92-I94 PolarHBondContact O-N 2.93Å; I94-G98 PolarHBondContact O-N 2.6Å; I94-G98 VanDerWaalsContact O-N 3.07Å; I94-V104 HydrophobicContact CG2-CB 4.25Å; I94-V104 HydrophobicContact CG2-CG1 4.07Å; I94-V104 HydrophobicContact CG2-CG2 4.29Å; I94-N339 HydrophobicContact CB-CB 4.06Å; I94-N339 WeakPolarHBondContact O-CB 3.48Å; I94-N339 PolarHBondContact O-ND2 2.97Å
95	K	95.2	Very high	95.3	Very high	105 Å²	105	30.6 Å²	30.6	46%	0.457	17%	0.165	S	C	.	.	H	α-helix	trans	-78.1	-49.7	178.1	172.7	-179.8	173.8	-171	0	110.4	D93 A97 G98 E99 F342	D93-K95 PolarHBondContact O-N 3.2Å; D93-K95 WeakPolarHBondContact OD1-CB 3.18Å; D93-K95 PolarHBondContact OD1-N 2.88Å; D93-K95 VanDerWaalsContact OD1-N 3.16Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 3.35Å; K95-G98 PolarHBondContact O-N 3.39Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 WeakPolarHBondContact CG-OE1 3.26Å; K95-E99 WeakPolarHBondContact O-CG 3.33Å; K95-E99 PolarHBondContact O-N 2.96Å; K95-F342 HydrophobicContact CB-CD1 4.22Å; K95-F342 HydrophobicContact CB-CD2 4.37Å; K95-F342 HydrophobicContact CB-CE1 4.18Å; K95-F342 HydrophobicContact CB-CE2 4.34Å; K95-F342 HydrophobicContact CB-CG 4.32Å; K95-F342 HydrophobicContact CB-CZ 4.24Å; K95-F342 HydrophobicContact CD-CE1 4.13Å; K95-F342 HydrophobicContact CG-CD1 3.82Å; K95-F342 HydrophobicContact CG-CE1 3.86Å; K95-F342 HydrophobicContact CG-CG 4.33Å; K95-F342 HydrophobicContact CG-CZ 4.4Å
96	A	96.3	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-40.6	170.8	0	0	0	0	0	111.7	R70 L73 D93 G98 E99 L100	R70-A96 HydrophobicContact CB-CB 3.8Å; R70-A96 HydrophobicContact CG-CB 3.94Å; L73-A96 HydrophobicContact CD1-CB 4Å; D93-A96 HydrophobicContact CB-CB 3.94Å; D93-A96 PolarHBondContact O-N 3.32Å; D93-A96 PolarHBondContact OD1-N 2.89Å; D93-A96 WeakPolarHBondContact OD2-CB 3.2Å; A96-G98 PolarHBondContact O-N 2.87Å; A96-E99 PolarHBondContact O-N 2.94Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 2.81Å; A96-L100 WeakPolarHBondContact O-CD1 3.4Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 2.73Å
97	A	97	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-48.6	175	0	0	0	0	0	111.1	L73 D93 K95 L100 G101 I102 V104	L73-A97 HydrophobicContact CD1-CB 4Å; L73-A97 HydrophobicContact CD2-CB 4.47Å; D93-A97 WeakPolarHBondContact O-CB 3.3Å; D93-A97 PolarHBondContact O-N 3.15Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 3.35Å; A97-L100 CarbonylContact O-C 3.57Å; A97-L100 PolarHBondContact O-N 3.05Å; A97-G101 PolarHBondContact O-N 2.35Å; A97-I102 CarbonylContact C-O 3.13Å; A97-I102 HydrophobicContact CB-CB 4.13Å; A97-I102 HydrophobicContact CB-CG2 4.46Å; A97-I102 WeakPolarHBondContact O-CA 3.26Å; A97-I102 WeakPolarHBondContact O-CB 3.5Å; A97-I102 PolarHBondContact O-N 3.18Å; A97-I102 VanDerWaalsContact O-O 3.09Å; A97-V104 HydrophobicContact CB-CG2 3.55Å
98	G	96.3	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-46.5	178.3	0	0	0	0	0	113.1	I94 K95 A96 L100 G101 N339 F342 P344	I94-G98 PolarHBondContact O-N 2.6Å; I94-G98 VanDerWaalsContact O-N 3.07Å; K95-G98 PolarHBondContact O-N 3.39Å; A96-G98 PolarHBondContact O-N 2.87Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 2.81Å; G98-G101 PolarHBondContact O-N 3.41Å; G98-N339 WeakPolarHBondContact CA-ND2 3.45Å; G98-N339 PolarHBondContact N-ND2 3.09Å; G98-F342 CarbonylContact C-O 3.16Å; G98-P344 WeakPolarHBondContact O-CD 3.36Å
99	E	95.2	Very high	95.1	Very high	92 Å²	92	31 Å²	31	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-58.6	-35.3	175.4	-72.1	170	-161.8	0	0	112.5	R70 K95 A96 G101	R70-E99 IonicContact CZ-OE2 2.87Å; R70-E99 IonicContact NH1-OE2 2.69Å; R70-E99 PolarHBondContact NH1-OE2 2.86Å; R70-E99 IonicContact NH2-OE1 3.98Å; R70-E99 PolarHBondContact NH2-OE1 3.09Å; R70-E99 IonicContact NH2-OE2 3.3Å; R70-E99 PolarHBondContact NH2-OE2 2.84Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 WeakPolarHBondContact CG-OE1 3.26Å; K95-E99 WeakPolarHBondContact O-CG 3.33Å; K95-E99 PolarHBondContact O-N 2.96Å; A96-E99 PolarHBondContact O-N 2.94Å; E99-G101 VanDerWaalsContact C-N 3.28Å; E99-G101 PolarHBondContact O-N 2.83Å
100	L	95.3	Very high	95	Very high	76 Å²	76	28 Å²	28	40%	0.398	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.8	175.5	-69.1	168.3	0	0	0	113.8	L73 Q74 A96 A97 G98 I102	L73-L100 HydrophobicContact CB-CD1 3.61Å; Q74-L100 HydrophobicContact CG-CD1 4.08Å; Q74-L100 HydrophobicContact CG-CD2 4.15Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 2.81Å; A96-L100 WeakPolarHBondContact O-CD1 3.4Å; A96-L100 WeakPolarHBondContact O-CG 3.33Å; A96-L100 PolarHBondContact O-N 2.73Å; A97-L100 CarbonylContact O-C 3.57Å; A97-L100 PolarHBondContact O-N 3.05Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 2.81Å; L100-I102 HydrophobicContact CB-CD1 4.03Å; L100-I102 HydrophobicContact CB-CG1 4.26Å; L100-I102 HydrophobicContact CD1-CD1 4.4Å
101	G	95	Very high	95	Very high	30 Å²	30	25.1 Å²	25.1	31%	0.309	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	16.2	-177.8	0	0	0	0	0	114.8	A97 G98 E99 M343	A97-G101 PolarHBondContact O-N 2.35Å; G98-G101 PolarHBondContact O-N 3.41Å; E99-G101 VanDerWaalsContact C-N 3.28Å; E99-G101 PolarHBondContact O-N 2.83Å; G101-M343 WeakPolarHBondContact O-CE 3.28Å
102	I	96.8	Very high	95.1	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	15%	0.147	C	C	.	.			trans	-97.5	117.8	177.8	-53.1	163.5	0	0	0	109.4	L73 L79 I82 A97 L100 N339	L73-I102 HydrophobicContact CB-CD1 4.43Å; L73-I102 HydrophobicContact CD2-CD1 4.2Å; L79-I102 HydrophobicContact CD2-CD1 4.29Å; L79-I102 HydrophobicContact CD2-CG2 4.3Å; L79-I102 HydrophobicContact CG-CG2 4.2Å; I82-I102 HydrophobicContact CD1-CG2 3.83Å; I82-I102 HydrophobicContact CG1-CG2 3.87Å; A97-I102 CarbonylContact C-O 3.13Å; A97-I102 HydrophobicContact CB-CB 4.13Å; A97-I102 HydrophobicContact CB-CG2 4.46Å; A97-I102 WeakPolarHBondContact O-CA 3.26Å; A97-I102 WeakPolarHBondContact O-CB 3.5Å; A97-I102 PolarHBondContact O-N 3.18Å; A97-I102 VanDerWaalsContact O-O 3.09Å; L100-I102 HydrophobicContact CB-CD1 4.03Å; L100-I102 HydrophobicContact CB-CG1 4.26Å; L100-I102 HydrophobicContact CD1-CD1 4.4Å; I102-N339 PolarHBondContact O-ND2 3.21Å
103	A	97.5	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.5	170.8	0	0	0	0	0	110.4	K80 I81 I82 I330 L334 N339 M343	K80-A103 PolarHBondContact O-N 3.47Å; I81-A103 CarbonylContact C-O 3.6Å; I81-A103 VanDerWaalsContact CA-O 3.26Å; I81-A103 WeakPolarHBondContact CA-O 3.42Å; I82-A103 PolarHBondContact N-O 3.14Å; A103-I330 HydrophobicContact CB-CG2 3.68Å; A103-L334 HydrophobicContact CB-CD1 3.57Å; A103-N339 WeakPolarHBondContact CA-OD1 3.35Å; A103-M343 HydrophobicContact CB-CE 4.39Å; A103-M343 HydrophobicContact CB-SD 3.87Å
104	V	97.8	Very high	95.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125	172.2	-176.9	0	0	0	0	108.8	I82 I92 I94 A97 C337 V338 N339	I82-V104 CarbonylContact O-C 3.21Å; I82-V104 WeakPolarHBondContact O-CA 3.47Å; I92-V104 HydrophobicContact CD1-CG1 3.94Å; I92-V104 HydrophobicContact CG2-CG2 4.11Å; I94-V104 HydrophobicContact CG2-CB 4.25Å; I94-V104 HydrophobicContact CG2-CG1 4.07Å; I94-V104 HydrophobicContact CG2-CG2 4.29Å; A97-V104 HydrophobicContact CB-CG2 3.55Å; V104-C337 CarbonylContact O-C 3.57Å; V104-C337 VanDerWaalsContact O-CA 3.3Å; V104-C337 WeakPolarHBondContact O-CA 3.43Å; V104-C337 PolarHBondContact O-SG 3.27Å; V104-V338 HydrophobicContact CB-CG2 4.23Å; V104-V338 HydrophobicContact CG1-CG2 4.01Å; V104-V338 WeakPolarHBondContact O-CG2 3.1Å; V104-V338 PolarHBondContact O-N 2.89Å; V104-N339 PolarHBondContact N-OD1 3.27Å
105	C	97.6	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153	171.7	-68.8	0	0	0	0	111.4	I82 V83 R84 E321 N336 C337	I82-C105 PolarHBondContact O-N 3.4Å; V83-C105 WeakPolarHBondContact CA-O 3.44Å; V83-C105 HydrophobicContact CG1-CB 4.38Å; V83-C105 HydrophobicContact CG2-CB 4.16Å; R84-C105 PolarHBondContact N-O 3.5Å; C105-E321 HydrophobicContact CB-CG 3.96Å; C105-N336 WeakPolarHBondContact CA-O 3.36Å; C105-N336 WeakPolarHBondContact CB-O 3.46Å; C105-C337 VanDerWaalsContact SG-CA 3.53Å
106	N	96.6	Very high	95.6	Very high	16 Å²	16	24.1 Å²	24.1	9%	0.086	14%	0.14	C	C	.	.			trans	-115.9	175.3	164.9	67.6	-9.3	0	0	0	110.8	R84 G86 S87 Y89 P108 N336 V338	R84-N106 HydrophobicContact CB-CB 4.47Å; G86-N106 WeakPolarHBondContact O-CB 3.18Å; S87-N106 PolarHBondContact O-ND2 2.81Å; Y89-N106 HydrophobicContact CD1-CB 4.27Å; N106-P108 WeakPolarHBondContact O-CD 3.4Å; N106-P108 WeakPolarHBondContact OD1-CD 3.37Å; N106-N336 PolarHBondContact N-O 3.27Å; N106-N336 VanDerWaalsContact O-CB 3.27Å; N106-N336 WeakPolarHBondContact O-CB 3.45Å; N106-N336 PolarHBondContact OD1-O 3.4Å; N106-V338 HydrophobicContact CB-CG1 4.43Å; N106-V338 WeakPolarHBondContact OD1-CG1 3.15Å
107	V	95.1	Very high	95.7	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.042	16%	0.161	C	C	.	.			trans	-109.3	98.9	164.1	-176.2	0	0	0	0	108.3	R84 G86 F110 M314 A317 A318	R84-V107 PolarHBondContact O-N 2.86Å; G86-V107 PolarHBondContact O-N 2.68Å; V107-F110 HydrophobicContact CB-CD1 4.24Å; V107-F110 HydrophobicContact CG1-CD1 3.95Å; V107-F110 WeakPolarHBondContact O-CD1 3.18Å; V107-F110 WeakPolarHBondContact O-CE1 3.49Å; V107-M314 HydrophobicContact CB-CG 4.25Å; V107-M314 HydrophobicContact CG1-CG 4.34Å; V107-M314 HydrophobicContact CG2-CG 4.48Å; V107-A317 HydrophobicContact CG1-CB 3.68Å; V107-A317 HydrophobicContact CG2-CB 4.19Å; V107-A318 HydrophobicContact CG2-CB 3.93Å
108	P	91.5	Very high	95.7	Very high	29 Å²	29	29.2 Å²	29.2	19%	0.188	17%	0.168	C	C	.	.			trans	-92.7	125.7	171.7	33.3	-26.6	0	0	0	110.2	N106 N336	N106-P108 WeakPolarHBondContact O-CD 3.4Å; N106-P108 WeakPolarHBondContact OD1-CD 3.37Å; P108-N336 WeakPolarHBondContact CD-ND2 3.35Å; P108-N336 HydrophobicContact CG-CB 4.09Å; P108-N336 WeakPolarHBondContact CG-OD1 3.28Å
109	G	87.5	Confident	95.8	Very high	36 Å²	36	29.2 Å²	29.2	37%	0.371	17%	0.168	S	C	.	.	S	Bend	trans	134.6	-40.9	172.4	0	0	0	0	0	114	V112	G109-V112 VanDerWaalsContact O-CG2 3.29Å; G109-V112 WeakPolarHBondContact O-CG2 3.21Å
110	F	91.3	Very high	96	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.053	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	152	171.4	86.3	-76.5	0	0	0	110.7	V107 V112 F305 M314	V107-F110 HydrophobicContact CB-CD1 4.24Å; V107-F110 HydrophobicContact CG1-CD1 3.95Å; V107-F110 WeakPolarHBondContact O-CD1 3.18Å; V107-F110 WeakPolarHBondContact O-CE1 3.49Å; F110-V112 PolarHBondContact O-N 2.91Å; F110-F305 HydrophobicContact CE2-CB 3.91Å; F110-F305 AromaticContact CE2-CD2 3.89Å; F110-F305 HydrophobicContact CE2-CD2 3.89Å; F110-F305 HydrophobicContact CE2-CG 4.14Å; F110-M314 HydrophobicContact CB-CB 3.94Å; F110-M314 HydrophobicContact CD1-CB 4.24Å; F110-M314 HydrophobicContact CD1-CG 3.97Å; F110-M314 HydrophobicContact CD1-SD 3.99Å; F110-M314 HydrophobicContact CD2-CB 3.79Å; F110-M314 HydrophobicContact CD2-CE 3.81Å; F110-M314 HydrophobicContact CD2-CG 4.02Å; F110-M314 HydrophobicContact CD2-SD 3.6Å; F110-M314 VanDerWaalsContact CD2-SD 3.6Å; F110-M314 HydrophobicContact CE1-CG 4.21Å; F110-M314 HydrophobicContact CE1-SD 3.67Å; F110-M314 HydrophobicContact CE2-CB 4.46Å; F110-M314 HydrophobicContact CE2-CE 3.58Å; F110-M314 HydrophobicContact CE2-CG 4.26Å; F110-M314 HydrophobicContact CE2-SD 3.25Å; F110-M314 WeakPolarHBondContact CE2-SD 3.23Å; F110-M314 HydrophobicContact CG-CB 3.68Å; F110-M314 HydrophobicContact CG-CG 3.89Å; F110-M314 HydrophobicContact CG-SD 3.97Å; F110-M314 HydrophobicContact CZ-CE 4.23Å; F110-M314 HydrophobicContact CZ-CG 4.36Å; F110-M314 HydrophobicContact CZ-SD 3.31Å; F110-M314 WeakPolarHBondContact CZ-SD 3.41Å
111	G	92.3	Very high	96.2	Very high	3 Å²	3	25 Å²	25	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	6	166	0	0	0	0	0	115.3	E114 S115	G111-E114 VanDerWaalsContact CA-OE2 3.24Å; G111-E114 WeakPolarHBondContact CA-OE2 3.23Å; G111-S115 WeakPolarHBondContact O-CB 3.43Å; G111-S115 PolarHBondContact O-N 2.85Å; G111-S115 PolarHBondContact O-OG 2.95Å
112	V	96.4	Very high	96.3	Very high	28 Å²	28	24.4 Å²	24.4	17%	0.17	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-40.1	-175.9	167.3	0	0	0	0	110.9	G109 F110 A116 R171 V172 A175	G109-V112 VanDerWaalsContact O-CG2 3.29Å; G109-V112 WeakPolarHBondContact O-CG2 3.21Å; F110-V112 PolarHBondContact O-N 2.91Å; V112-A116 WeakPolarHBondContact O-CB 3.41Å; V112-A116 PolarHBondContact O-N 3.32Å; V112-R171 HydrophobicContact CG1-CB 3.91Å; V112-R171 HydrophobicContact CG2-CB 3.86Å; V112-V172 HydrophobicContact CG1-CG2 4.47Å; V112-A175 HydrophobicContact CG1-CB 4.31Å
113	E	97.5	Very high	96.4	Very high	110 Å²	110	24.2 Å²	24.2	51%	0.514	14%	0.142	S	C	.	.	H	α-helix	trans	-75.9	-45.5	178.1	-61.7	-129.2	79.8	0	0	110.4	S115 A116 D117 R179	E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 2.71Å; E113-A116 CarbonylContact O-C 3.55Å; E113-A116 PolarHBondContact O-N 3.08Å; E113-D117 WeakPolarHBondContact O-CB 3.06Å; E113-D117 PolarHBondContact O-N 3.08Å; E113-R179 IonicContact OE1-CZ 3.28Å; E113-R179 IonicContact OE1-NH1 3.17Å; E113-R179 PolarHBondContact OE1-NH1 3.11Å; E113-R179 IonicContact OE1-NH2 2.6Å; E113-R179 PolarHBondContact OE1-NH2 2.75Å
114	E	98	Very high	96.5	Very high	46 Å²	46	26.3 Å²	26.3	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-42	173.7	-68.7	87.6	160	0	0	112.7	G111 A116 D117 T118 A304 S307 S310	G111-E114 VanDerWaalsContact CA-OE2 3.24Å; G111-E114 WeakPolarHBondContact CA-OE2 3.23Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.22Å; E114-D117 PolarHBondContact O-N 3.18Å; E114-T118 WeakPolarHBondContact O-CB 3.42Å; E114-T118 PolarHBondContact O-N 3.34Å; E114-T118 PolarHBondContact O-OG1 2.6Å; E114-A304 CarbonylContact C-O 3.52Å; E114-A304 WeakPolarHBondContact CB-O 3.21Å; E114-A304 VanDerWaalsContact O-O 3.1Å; E114-S307 WeakPolarHBondContact OE1-CB 3.39Å; E114-S307 PolarHBondContact OE1-OG 2.9Å; E114-S310 WeakPolarHBondContact OE1-CB 3.42Å
115	S	97.7	Very high	96.5	Very high	16 Å²	16	27.2 Å²	27.2	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-38.3	177.6	-59.3	0	0	0	0	111.2	G111 E113 T119 A304	G111-S115 WeakPolarHBondContact O-CB 3.43Å; G111-S115 PolarHBondContact O-N 2.85Å; G111-S115 PolarHBondContact O-OG 2.95Å; E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 2.71Å; S115-T119 WeakPolarHBondContact O-CB 3.4Å; S115-T119 PolarHBondContact O-N 3.28Å; S115-T119 PolarHBondContact O-OG1 3.38Å; S115-A304 VanDerWaalsContact CA-O 3.26Å; S115-A304 WeakPolarHBondContact CA-O 3.3Å; S115-A304 PolarHBondContact N-O 2.85Å; S115-A304 VanDerWaalsContact N-O 3.09Å
116	A	98.5	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-40.4	176.9	0	0	0	0	0	112.1	V112 E113 E114 T119 L120 V172 A175 V176	V112-A116 WeakPolarHBondContact O-CB 3.41Å; V112-A116 PolarHBondContact O-N 3.32Å; E113-A116 CarbonylContact O-C 3.55Å; E113-A116 PolarHBondContact O-N 3.08Å; E114-A116 VanDerWaalsContact C-N 3.34Å; E114-A116 PolarHBondContact O-N 3.22Å; A116-T119 WeakPolarHBondContact O-CB 3.39Å; A116-T119 PolarHBondContact O-N 3.3Å; A116-L120 WeakPolarHBondContact O-CD2 3.23Å; A116-L120 PolarHBondContact O-N 3.04Å; A116-V172 HydrophobicContact CB-CG1 4.49Å; A116-A175 HydrophobicContact CB-CB 3.63Å; A116-V176 HydrophobicContact CB-CG2 3.67Å
117	D	98.4	Very high	96.5	Very high	80 Å²	80	26.5 Å²	26.5	43%	0.428	16%	0.155	S	C	.	.	H	α-helix	trans	-67.8	-38.7	176.4	-73.1	-38.2	0	0	0	111.5	E113 E114 L120 C121 R179	E113-D117 WeakPolarHBondContact O-CB 3.06Å; E113-D117 PolarHBondContact O-N 3.08Å; E114-D117 PolarHBondContact O-N 3.18Å; D117-L120 PolarHBondContact O-N 3.04Å; D117-C121 VanDerWaalsContact O-CB 3.28Å; D117-C121 WeakPolarHBondContact O-CB 3.42Å; D117-C121 PolarHBondContact O-N 3.28Å; D117-R179 IonicContact OD1-CZ 2.97Å; D117-R179 IonicContact OD1-NE 3.86Å; D117-R179 PolarHBondContact OD1-NE 3.46Å; D117-R179 IonicContact OD1-NH2 3.85Å; D117-R179 PolarHBondContact OD1-NH2 2.84Å; D117-R179 IonicContact OD2-CZ 3.47Å; D117-R179 IonicContact OD2-NE 3.53Å; D117-R179 IonicContact OD2-NH2 3.56Å; D117-R179 PolarHBondContact OD2-NH2 3.42Å
118	T	98.4	Very high	96.6	Very high	27 Å²	27	32.1 Å²	32.1	17%	0.166	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-40.5	171.4	-54.7	0	0	0	0	111.4	E114 C121 H122 M303 A304	E114-T118 WeakPolarHBondContact O-CB 3.42Å; E114-T118 PolarHBondContact O-N 3.34Å; E114-T118 PolarHBondContact O-OG1 2.6Å; T118-C121 WeakPolarHBondContact O-CB 3.4Å; T118-C121 PolarHBondContact O-N 3.49Å; T118-H122 PolarHBondContact O-N 2.95Å; T118-M303 HydrophobicContact CG2-SD 4.43Å; T118-A304 HydrophobicContact CG2-CB 3.66Å; T118-A304 PolarHBondContact OG1-O 3.05Å
119	T	98.7	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-47.6	173.3	-58.9	0	0	0	0	111.2	S115 A116 C121 H122 I123 V176 T221 H223 I249 T251	S115-T119 WeakPolarHBondContact O-CB 3.4Å; S115-T119 PolarHBondContact O-N 3.28Å; S115-T119 PolarHBondContact O-OG1 3.38Å; A116-T119 WeakPolarHBondContact O-CB 3.39Å; A116-T119 PolarHBondContact O-N 3.3Å; T119-C121 VanDerWaalsContact C-N 3.34Å; T119-C121 PolarHBondContact O-N 3.41Å; T119-H122 PolarHBondContact O-N 2.89Å; T119-I123 HydrophobicContact CG2-CD1 3.86Å; T119-I123 HydrophobicContact CG2-CG1 4.43Å; T119-I123 WeakPolarHBondContact O-CG1 3.17Å; T119-I123 PolarHBondContact O-N 2.69Å; T119-V176 HydrophobicContact CG2-CG1 4.16Å; T119-V176 HydrophobicContact CG2-CG2 3.87Å; T119-T221 WeakPolarHBondContact CG2-OG1 3.46Å; T119-H223 PolarHBondContact OG1-CE1 3.12Å; T119-I249 HydrophobicContact CG2-CG2 4.27Å; T119-T251 PolarHBondContact OG1-OG1 2.86Å
120	L	98.5	Very high	97.3	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-38.2	177	-95.2	-63.6	0	0	0	111.4	A116 D117 H122 I123 L124 V176 R179 F183	A116-L120 WeakPolarHBondContact O-CD2 3.23Å; A116-L120 PolarHBondContact O-N 3.04Å; D117-L120 PolarHBondContact O-N 3.04Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.79Å; L120-I123 PolarHBondContact O-N 2.86Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 WeakPolarHBondContact O-CG 3.13Å; L120-L124 PolarHBondContact O-N 2.82Å; L120-V176 HydrophobicContact CD2-CB 4.21Å; L120-V176 HydrophobicContact CD2-CG1 3.89Å; L120-V176 HydrophobicContact CD2-CG2 4.15Å; L120-R179 HydrophobicContact CD2-CB 3.85Å; L120-R179 HydrophobicContact CG-CB 3.91Å; L120-F183 HydrophobicContact CD1-CD2 4.13Å; L120-F183 HydrophobicContact CD1-CE2 4.01Å
121	C	98.6	Very high	97.5	Very high	73 Å²	73	39 Å²	39	49%	0.493	20%	0.195	S	C	.	.	H	α-helix	trans	-58.5	-45.5	173.2	-171.9	0	0	0	0	111.3	D117 T118 T119 T125	D117-C121 VanDerWaalsContact O-CB 3.28Å; D117-C121 WeakPolarHBondContact O-CB 3.42Å; D117-C121 PolarHBondContact O-N 3.28Å; T118-C121 WeakPolarHBondContact O-CB 3.4Å; T118-C121 PolarHBondContact O-N 3.49Å; T119-C121 VanDerWaalsContact C-N 3.34Å; T119-C121 PolarHBondContact O-N 3.41Å; C121-T125 WeakPolarHBondContact O-CB 3.36Å; C121-T125 PolarHBondContact O-N 2.86Å; C121-T125 PolarHBondContact O-OG1 3Å
122	H	98.5	Very high	97.5	Very high	17 Å²	17	40.7 Å²	40.7	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-54.1	173.9	-78.4	-27.5	0	0	0	111.6	T118 T119 L120 L124 T125 L126 I249 A275 D277 T300	T118-H122 PolarHBondContact O-N 2.95Å; T119-H122 PolarHBondContact O-N 2.89Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.79Å; H122-L124 PolarHBondContact O-N 3.47Å; H122-T125 PolarHBondContact O-N 3.47Å; H122-T125 VanDerWaalsContact O-N 3.07Å; H122-L126 WeakPolarHBondContact O-CG 3.47Å; H122-L126 PolarHBondContact O-N 3.4Å; H122-I249 HydrophobicContact CB-CG2 4.19Å; H122-A275 HydrophobicContact CB-CB 3.72Å; H122-D277 WeakPolarHBondContact NE2-CB 3.47Å; H122-D277 IonicContact NE2-OD1 3.14Å; H122-T300 WeakPolarHBondContact CE1-CG2 3.42Å; H122-T300 PolarHBondContact CE1-OG1 2.59Å; H122-T300 PolarHBondContact NE2-OG1 3.02Å
123	I	98.5	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.7	-52.2	177.6	-69	167.6	0	0	0	110.9	T119 L120 T125 L126 Y127 L164 F185 I249	T119-I123 HydrophobicContact CG2-CD1 3.86Å; T119-I123 HydrophobicContact CG2-CG1 4.43Å; T119-I123 WeakPolarHBondContact O-CG1 3.17Å; T119-I123 PolarHBondContact O-N 2.69Å; L120-I123 PolarHBondContact O-N 2.86Å; I123-T125 VanDerWaalsContact C-N 3.3Å; I123-T125 PolarHBondContact O-N 2.76Å; I123-L126 PolarHBondContact O-N 2.84Å; I123-Y127 HydrophobicContact CG2-CD2 3.96Å; I123-Y127 HydrophobicContact CG2-CE2 4.23Å; I123-Y127 WeakPolarHBondContact O-CB 3.2Å; I123-Y127 WeakPolarHBondContact O-CD2 3.2Å; I123-Y127 PolarHBondContact O-N 3.07Å; I123-L164 HydrophobicContact CD1-CD1 3.94Å; I123-L164 HydrophobicContact CD1-CD2 4.3Å; I123-F185 HydrophobicContact CG2-CE2 3.8Å; I123-F185 HydrophobicContact CG2-CZ 3.52Å; I123-I249 HydrophobicContact CG1-CD1 3.7Å; I123-I249 HydrophobicContact CG1-CG1 3.95Å
124	L	98.4	Very high	97.3	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.236	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-36.5	179.6	-66.6	173.2	0	0	0	111.8	L120 H122 Y127 R128 I159 F183	L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 WeakPolarHBondContact O-CG 3.13Å; L120-L124 PolarHBondContact O-N 2.82Å; H122-L124 PolarHBondContact O-N 3.47Å; L124-Y127 PolarHBondContact O-N 3.1Å; L124-R128 WeakPolarHBondContact O-CB 3.39Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.23Å; L124-R128 PolarHBondContact O-N 2.97Å; L124-I159 HydrophobicContact CD2-CD1 3.51Å; L124-F183 HydrophobicContact CD1-CE1 3.91Å; L124-F183 HydrophobicContact CD1-CE2 4.37Å; L124-F183 HydrophobicContact CD1-CZ 3.7Å; L124-F183 HydrophobicContact CD2-CD1 3.85Å; L124-F183 HydrophobicContact CD2-CE1 3.78Å; L124-F183 HydrophobicContact CD2-CG 4.35Å; L124-F183 HydrophobicContact CD2-CZ 4.23Å; L124-F183 HydrophobicContact CG-CE1 4.49Å
125	T	98.1	Very high	97.1	Very high	18 Å²	18	38.6 Å²	38.6	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-40.4	176.3	-64	0	0	0	0	111.9	C121 H122 I123 R129 T130 Y131 I298	C121-T125 WeakPolarHBondContact O-CB 3.36Å; C121-T125 PolarHBondContact O-N 2.86Å; C121-T125 PolarHBondContact O-OG1 3Å; H122-T125 PolarHBondContact O-N 3.47Å; H122-T125 VanDerWaalsContact O-N 3.07Å; I123-T125 VanDerWaalsContact C-N 3.3Å; I123-T125 PolarHBondContact O-N 2.76Å; T125-R129 WeakPolarHBondContact O-CA 3.35Å; T125-R129 PolarHBondContact O-N 3.36Å; T125-T130 WeakPolarHBondContact CA-OG1 3.46Å; T125-T130 PolarHBondContact OG1-OG1 2.83Å; T125-Y131 VanDerWaalsContact CG2-CB 3.49Å; T125-I298 HydrophobicContact CG2-CD1 3.52Å
126	L	97.7	Very high	96.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-48.8	172.7	-63.2	-169.7	0	0	0	111.2	H122 I123 W132 F247 I249 A273 A275 I298	H122-L126 WeakPolarHBondContact O-CG 3.47Å; H122-L126 PolarHBondContact O-N 3.4Å; I123-L126 PolarHBondContact O-N 2.84Å; L126-W132 HydrophobicContact CD2-CH2 3.62Å; L126-W132 HydrophobicContact CD2-CZ3 4.3Å; L126-F247 HydrophobicContact CB-CD1 3.65Å; L126-F247 HydrophobicContact CB-CE1 3.7Å; L126-F247 HydrophobicContact CB-CG 4.27Å; L126-F247 HydrophobicContact CB-CZ 4.38Å; L126-F247 HydrophobicContact CD1-CB 4.03Å; L126-F247 HydrophobicContact CD1-CD1 3.91Å; L126-F247 HydrophobicContact CD1-CG 4.29Å; L126-F247 HydrophobicContact CG-CD1 4.34Å; L126-I249 HydrophobicContact CD1-CD1 3.84Å; L126-I249 HydrophobicContact CD1-CG1 3.86Å; L126-A273 HydrophobicContact CD2-CB 3.9Å; L126-A275 HydrophobicContact CD1-CB 4.11Å; L126-A275 HydrophobicContact CD2-CB 4.09Å; L126-A275 HydrophobicContact CG-CB 4.2Å; L126-I298 HydrophobicContact CD2-CD1 4.2Å
127	Y	97.9	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-36	-178.2	-94.9	-94.1	0	0	0	114.5	I123 L124 S156 A157 I159 D162 F185 C219 F247	I123-Y127 HydrophobicContact CG2-CD2 3.96Å; I123-Y127 HydrophobicContact CG2-CE2 4.23Å; I123-Y127 WeakPolarHBondContact O-CB 3.2Å; I123-Y127 WeakPolarHBondContact O-CD2 3.2Å; I123-Y127 PolarHBondContact O-N 3.07Å; L124-Y127 PolarHBondContact O-N 3.1Å; Y127-S156 CarbonylContact O-C 3.47Å; Y127-S156 WeakPolarHBondContact O-CA 3.37Å; Y127-A157 HydrophobicContact CD1-CB 3.7Å; Y127-A157 HydrophobicContact CE1-CB 3.98Å; Y127-A157 PolarHBondContact O-N 2.78Å; Y127-I159 HydrophobicContact CD1-CB 4.35Å; Y127-I159 HydrophobicContact CD1-CG1 3.4Å; Y127-I159 VanDerWaalsContact CD1-CG1 3.4Å; Y127-I159 HydrophobicContact CD2-CG1 4.49Å; Y127-I159 HydrophobicContact CE1-CG1 4.05Å; Y127-I159 HydrophobicContact CG-CD1 4.43Å; Y127-I159 HydrophobicContact CG-CG1 3.68Å; Y127-D162 HydrophobicContact CE1-CB 4.27Å; Y127-D162 WeakPolarHBondContact CE1-OD2 3.41Å; Y127-D162 WeakPolarHBondContact OH-CB 3.2Å; Y127-D162 PolarHBondContact OH-OD2 3.43Å; Y127-D162 VanDerWaalsContact OH-OD2 3.14Å; Y127-F185 HydrophobicContact CD2-CZ 4.21Å; Y127-F185 HydrophobicContact CE1-CE1 4.48Å; Y127-F185 AromaticContact CE2-CE1 3.89Å; Y127-F185 HydrophobicContact CE2-CE1 3.89Å; Y127-F185 AromaticContact CE2-CZ 3.77Å; Y127-F185 HydrophobicContact CE2-CZ 3.77Å; Y127-F185 AromaticContact CZ-CE1 3.76Å; Y127-C219 HydrophobicContact CE2-CB 3.89Å; Y127-F247 HydrophobicContact CD1-CE2 4.07Å; Y127-F247 AromaticContact CD2-CD2 3.84Å; Y127-F247 HydrophobicContact CD2-CD2 3.84Å; Y127-F247 AromaticContact CD2-CE2 3.64Å; Y127-F247 HydrophobicContact CD2-CE2 3.64Å; Y127-F247 HydrophobicContact CD2-CZ 4.34Å; Y127-F247 HydrophobicContact CE1-CD2 4.46Å; Y127-F247 AromaticContact CE1-CE2 3.93Å; Y127-F247 HydrophobicContact CE1-CE2 3.93Å; Y127-F247 AromaticContact CE2-CD2 3.37Å; Y127-F247 HydrophobicContact CE2-CD2 3.37Å; Y127-F247 AromaticContact CE2-CE2 3.51Å; Y127-F247 HydrophobicContact CE2-CE2 3.51Å; Y127-F247 HydrophobicContact CE2-CG 4.36Å; Y127-F247 AromaticContact CG-CE2 3.92Å; Y127-F247 HydrophobicContact CG-CE2 3.92Å; Y127-F247 HydrophobicContact CG-CZ 4.42Å; Y127-F247 AromaticContact CZ-CD2 3.72Å; Y127-F247 AromaticContact CZ-CE2 3.64Å
128	R	97.2	Very high	96.3	Very high	126 Å²	126	48 Å²	48	48%	0.475	25%	0.247	S	C	.	.	H	α-helix	trans	-105.3	-10.7	-173.4	-55.4	-55.2	-59.8	148.7	4.3	113.5	L124 T130 S156 A157	L124-R128 WeakPolarHBondContact O-CB 3.39Å; L124-R128 VanDerWaalsContact O-CG 3.28Å; L124-R128 WeakPolarHBondContact O-CG 3.23Å; L124-R128 PolarHBondContact O-N 2.97Å; R128-T130 HydrophobicContact CB-CG2 4.08Å; R128-T130 PolarHBondContact O-N 3.25Å; R128-S156 PolarHBondContact O-OG 3.08Å; R128-A157 PolarHBondContact NH1-O 2.73Å
129	R	96.2	Very high	96	Very high	28 Å²	28	53.1 Å²	53.1	11%	0.106	27%	0.27	C	S	.	.			trans	55.4	28.4	-177.9	-58.1	-177	68.6	81.1	-10	114.5	T125 Y131 W132 L133 N154 S156 N296	T125-R129 WeakPolarHBondContact O-CA 3.35Å; T125-R129 PolarHBondContact O-N 3.36Å; R129-Y131 PolarHBondContact O-N 2.96Å; R129-W132 HydrophobicContact CB-CE3 3.75Å; R129-W132 HydrophobicContact CB-CZ3 4.31Å; R129-W132 HydrophobicContact CG-CE3 3.79Å; R129-W132 HydrophobicContact CG-CZ3 3.95Å; R129-W132 PolarHBondContact O-N 3.15Å; R129-L133 WeakPolarHBondContact O-CB 3.49Å; R129-L133 VanDerWaalsContact O-CG 3.32Å; R129-L133 WeakPolarHBondContact O-CG 3.26Å; R129-L133 PolarHBondContact O-N 3.18Å; R129-N154 WeakPolarHBondContact CD-O 3.37Å; R129-N154 PolarHBondContact NE-O 3.24Å; R129-N154 VanDerWaalsContact NE-O 3.09Å; R129-S156 WeakPolarHBondContact CB-OG 3.48Å; R129-S156 WeakPolarHBondContact CD-OG 3.31Å; R129-S156 VanDerWaalsContact CG-OG 3.25Å; R129-S156 WeakPolarHBondContact CG-OG 3.42Å; R129-N296 PolarHBondContact NH1-OD1 3.01Å; R129-N296 VanDerWaalsContact NH1-OD1 3.12Å; R129-N296 PolarHBondContact NH2-OD1 2.95Å
130	T	96.1	Very high	95.7	Very high	74 Å²	74	55.8 Å²	55.8	45%	0.454	30%	0.298	S	S	.	.	H	α-helix	trans	-52	-48.4	-178.3	41	0	0	0	0	112.7	T125 R128 L133 A134	T125-T130 WeakPolarHBondContact CA-OG1 3.46Å; T125-T130 PolarHBondContact OG1-OG1 2.83Å; R128-T130 HydrophobicContact CB-CG2 4.08Å; R128-T130 PolarHBondContact O-N 3.25Å; T130-L133 PolarHBondContact O-N 2.88Å; T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 2.89Å
131	Y	95.2	Very high	95.3	Very high	118 Å²	118	60.1 Å²	60.1	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-54.8	177.4	172.7	-105.3	0	0	0	112.4	T125 R129 L133 A134 N135 I298	T125-Y131 VanDerWaalsContact CG2-CB 3.49Å; R129-Y131 PolarHBondContact O-N 2.96Å; Y131-L133 VanDerWaalsContact C-N 3.3Å; Y131-L133 PolarHBondContact O-N 2.96Å; Y131-A134 PolarHBondContact O-N 3.47Å; Y131-N135 VanDerWaalsContact O-CB 3.28Å; Y131-N135 WeakPolarHBondContact O-CB 3.35Å; Y131-N135 PolarHBondContact O-N 2.81Å; Y131-I298 HydrophobicContact CD1-CD1 4.07Å; Y131-I298 HydrophobicContact CD1-CG1 4.16Å; Y131-I298 HydrophobicContact CG-CD1 4.37Å
132	W	93.9	Very high	94.8	Very high	39 Å²	39	66.5 Å²	66.5	15%	0.148	33%	0.33	C	S	.	.	H	α-helix	trans	-66.3	-31.2	-179.1	-60.2	-73	0	0	0	112.9	L126 R129 S136 A273 N296 I298	L126-W132 HydrophobicContact CD2-CH2 3.62Å; L126-W132 HydrophobicContact CD2-CZ3 4.3Å; R129-W132 HydrophobicContact CB-CE3 3.75Å; R129-W132 HydrophobicContact CB-CZ3 4.31Å; R129-W132 HydrophobicContact CG-CE3 3.79Å; R129-W132 HydrophobicContact CG-CZ3 3.95Å; R129-W132 PolarHBondContact O-N 3.15Å; W132-S136 VanDerWaalsContact O-CB 3.22Å; W132-S136 WeakPolarHBondContact O-CB 3.39Å; W132-S136 PolarHBondContact O-N 2.93Å; W132-S136 PolarHBondContact O-OG 2.63Å; W132-A273 HydrophobicContact CH2-CB 3.98Å; W132-N296 HydrophobicContact CZ2-CB 4.45Å; W132-N296 WeakPolarHBondContact CZ2-O 3.43Å; W132-I298 HydrophobicContact CH2-CD1 3.88Å; W132-I298 HydrophobicContact CH2-CG1 4.1Å; W132-I298 HydrophobicContact CZ2-CD1 3.9Å; W132-I298 HydrophobicContact CZ2-CG1 3.67Å; W132-I298 HydrophobicContact CZ3-CD1 4.39Å
133	L	93.9	Very high	94.2	Very high	34 Å²	34	67.7 Å²	67.7	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-47.6	174.6	-75.2	168.3	0	0	0	111.7	R129 T130 Y131 S136 L137 I143 V152 A153	R129-L133 WeakPolarHBondContact O-CB 3.49Å; R129-L133 VanDerWaalsContact O-CG 3.32Å; R129-L133 WeakPolarHBondContact O-CG 3.26Å; R129-L133 PolarHBondContact O-N 3.18Å; T130-L133 PolarHBondContact O-N 2.88Å; Y131-L133 VanDerWaalsContact C-N 3.3Å; Y131-L133 PolarHBondContact O-N 2.96Å; L133-S136 PolarHBondContact O-N 3.44Å; L133-L137 PolarHBondContact O-N 3.08Å; L133-I143 HydrophobicContact CD2-CD1 4.48Å; L133-V152 HydrophobicContact CD2-CB 3.92Å; L133-V152 HydrophobicContact CD2-CG1 3.85Å; L133-A153 HydrophobicContact CD1-CB 4.18Å; L133-A153 HydrophobicContact CD2-CB 4.05Å
134	A	94.5	Very high	93.7	Very high	61 Å²	61	72.7 Å²	72.7	50%	0.504	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176	0	0	0	0	0	111.5	T130 Y131 S136 L137 Q138	T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 2.89Å; Y131-A134 PolarHBondContact O-N 3.47Å; A134-S136 VanDerWaalsContact C-N 3.33Å; A134-S136 PolarHBondContact O-N 2.94Å; A134-L137 PolarHBondContact O-N 3.09Å; A134-Q138 PolarHBondContact O-N 3.5Å
135	N	93.8	Very high	93.3	Very high	45 Å²	45	72.9 Å²	72.9	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-37.2	177.3	-166.8	11.7	0	0	0	111.8	Y131 L137 Q138 M139	Y131-N135 VanDerWaalsContact O-CB 3.28Å; Y131-N135 WeakPolarHBondContact O-CB 3.35Å; Y131-N135 PolarHBondContact O-N 2.81Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.38Å; N135-Q138 PolarHBondContact O-N 2.84Å; N135-M139 HydrophobicContact CB-CE 4.37Å; N135-M139 WeakPolarHBondContact O-CB 3.4Å; N135-M139 WeakPolarHBondContact O-CE 3.43Å; N135-M139 WeakPolarHBondContact O-CG 3.48Å; N135-M139 PolarHBondContact O-N 3.2Å
136	S	91.9	Very high	92.9	Very high	21 Å²	21	77.1 Å²	77.1	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-60.5	-40.4	174.3	-66.5	0	0	0	0	112.8	W132 L133 A134 M139 G140 K141	W132-S136 VanDerWaalsContact O-CB 3.22Å; W132-S136 WeakPolarHBondContact O-CB 3.39Å; W132-S136 PolarHBondContact O-N 2.93Å; W132-S136 PolarHBondContact O-OG 2.63Å; L133-S136 PolarHBondContact O-N 3.44Å; A134-S136 VanDerWaalsContact C-N 3.33Å; A134-S136 PolarHBondContact O-N 2.94Å; S136-M139 PolarHBondContact O-N 3.06Å; S136-G140 PolarHBondContact O-N 2.93Å; S136-K141 VanDerWaalsContact O-CB 3.22Å; S136-K141 WeakPolarHBondContact O-CB 3.47Å; S136-K141 PolarHBondContact O-N 3.31Å
137	L	92.7	Very high	92.6	Very high	103 Å²	103	84.3 Å²	84.3	54%	0.539	44%	0.437	S	S	.	.	H	α-helix	trans	-67.6	-40.8	175	-67.8	171.9	0	0	0	111.3	L133 A134 N135 M139 G140 I143	L133-L137 PolarHBondContact O-N 3.08Å; A134-L137 PolarHBondContact O-N 3.09Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.38Å; L137-M139 VanDerWaalsContact C-N 3.32Å; L137-M139 PolarHBondContact O-N 2.68Å; L137-G140 WeakPolarHBondContact O-CA 3.4Å; L137-G140 PolarHBondContact O-N 2.87Å; L137-I143 HydrophobicContact CD2-CB 4.48Å; L137-I143 HydrophobicContact CD2-CD1 3.85Å; L137-I143 HydrophobicContact CD2-CG1 3.89Å; L137-I143 HydrophobicContact CG-CD1 4.28Å
138	Q	93.3	Very high	92.2	Very high	171 Å²	171	88.1 Å²	88.1	80%	0.799	46%	0.455	S	S	*	.	H	α-helix	trans	-65	-34.3	176.3	-172.7	172.3	-7.6	0	0	112.6	A134 N135 G140	A134-Q138 PolarHBondContact O-N 3.5Å; N135-Q138 PolarHBondContact O-N 2.84Å; Q138-G140 PolarHBondContact O-N 3.31Å
139	M	93.5	Very high	91.9	Very high	133 Å²	133	86 Å²	86	66%	0.655	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	10	169.4	-67	-175.3	-71.8	0	0	113.5	N135 S136 L137	N135-M139 HydrophobicContact CB-CE 4.37Å; N135-M139 WeakPolarHBondContact O-CB 3.4Å; N135-M139 WeakPolarHBondContact O-CE 3.43Å; N135-M139 WeakPolarHBondContact O-CG 3.48Å; N135-M139 PolarHBondContact O-N 3.2Å; S136-M139 PolarHBondContact O-N 3.06Å; L137-M139 VanDerWaalsContact C-N 3.32Å; L137-M139 PolarHBondContact O-N 2.68Å
140	G	91.8	Very high	91.6	Very high	56 Å²	56	92.3 Å²	92.3	58%	0.577	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	6.8	171.6	0	0	0	0	0	116.2	S136 L137 Q138 R142	S136-G140 PolarHBondContact O-N 2.93Å; L137-G140 WeakPolarHBondContact O-CA 3.4Å; L137-G140 PolarHBondContact O-N 2.87Å; Q138-G140 PolarHBondContact O-N 3.31Å; G140-R142 PolarHBondContact O-N 3.43Å
141	K	89.4	Confident	91.4	Very high	100 Å²	100	95 Å²	95	44%	0.435	49%	0.488	S	S	.	.			trans	-68.5	113.6	179	-170.4	174.2	-177.7	178.3	0	110.5	S136 I143 V152	S136-K141 VanDerWaalsContact O-CB 3.22Å; S136-K141 WeakPolarHBondContact O-CB 3.47Å; S136-K141 PolarHBondContact O-N 3.31Å; K141-I143 PolarHBondContact O-N 2.88Å; K141-V152 HydrophobicContact CD-CG1 4.2Å; K141-V152 HydrophobicContact CD-CG2 3.9Å
142	R	88.1	Confident	91.1	Very high	206 Å²	206	90.2 Å²	90.2	78%	0.777	47%	0.471	S	S	*	.			trans	-77.3	115.5	178.4	-65.4	-174.4	179.3	-173.5	-0.7	111.6	G140	G140-R142 PolarHBondContact O-N 3.43Å
143	I	86.1	Confident	91	Very high	42 Å²	42	89.5 Å²	89.5	22%	0.215	47%	0.474	C	S	.	.			trans	-97.2	95.7	177.2	-53.2	-175.3	0	0	0	108.6	L133 L137 K141 H148 L149 V152	L133-I143 HydrophobicContact CD2-CD1 4.48Å; L137-I143 HydrophobicContact CD2-CB 4.48Å; L137-I143 HydrophobicContact CD2-CD1 3.85Å; L137-I143 HydrophobicContact CD2-CG1 3.89Å; L137-I143 HydrophobicContact CG-CD1 4.28Å; K141-I143 PolarHBondContact O-N 2.88Å; I143-H148 HydrophobicContact CG2-CB 4.23Å; I143-L149 HydrophobicContact CG2-CB 3.74Å; I143-L149 HydrophobicContact CG2-CD1 4.14Å; I143-V152 HydrophobicContact CD1-CB 4.01Å; I143-V152 HydrophobicContact CD1-CG1 4.22Å; I143-V152 HydrophobicContact CD1-CG2 3.76Å; I143-V152 HydrophobicContact CG1-CG2 3.81Å
144	N	88.5	Confident	90.9	Very high	106 Å²	106	93.8 Å²	93.8	57%	0.567	50%	0.497	S	S	*	.			trans	-100.9	107.8	-178.8	-66.5	-4.4	0	0	0	109.8	H148	N144-H148 WeakPolarHBondContact O-CB 3.43Å
145	G	89.4	Confident	90.7	Very high	48 Å²	48	91.9 Å²	91.9	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	73	-178.1	176.3	0	0	0	0	0	115.2	E147 L149	G145-E147 VanDerWaalsContact C-N 3.35Å; G145-E147 PolarHBondContact O-N 2.94Å; G145-L149 WeakPolarHBondContact O-CB 3.24Å; G145-L149 PolarHBondContact O-N 3.25Å
146	P	89.8	Confident	90.7	Very high	107 Å²	107	91.6 Å²	91.6	70%	0.695	48%	0.484	S	S	*	.	H	α-helix	trans	-72.3	-24.7	-170.3	28.6	-35.2	0	0	0	113.9	K150	P146-K150 WeakPolarHBondContact O-CB 3.45Å; P146-K150 PolarHBondContact O-N 3.29Å
147	E	90.6	Very high	90.9	Very high	152 Å²	152	91.6 Å²	91.6	71%	0.71	49%	0.486	S	S	*	.	H	α-helix	trans	-74.5	-52	-177.5	-64.1	178.7	156.3	0	0	111	G145 L149 K150 E151	G145-E147 VanDerWaalsContact C-N 3.35Å; G145-E147 PolarHBondContact O-N 2.94Å; E147-L149 PolarHBondContact O-N 3.35Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 3.31Å; E147-K150 VanDerWaalsContact O-N 3.08Å; E147-E151 PolarHBondContact O-N 2.91Å; E147-E151 VanDerWaalsContact O-N 3.09Å
148	H	89.7	Confident	91	Very high	81 Å²	81	96.1 Å²	96.1	38%	0.375	50%	0.496	S	S	.	.	H	α-helix	trans	-57.9	-38.2	171.2	-70.6	-148.9	0	0	0	110.8	I143 N144 E151 V152	I143-H148 HydrophobicContact CG2-CB 4.23Å; N144-H148 WeakPolarHBondContact O-CB 3.43Å; H148-E151 WeakPolarHBondContact O-CB 3.28Å; H148-E151 PolarHBondContact O-N 2.99Å; H148-V152 WeakPolarHBondContact O-CG2 3.34Å; H148-V152 PolarHBondContact O-N 2.91Å
149	L	91.2	Very high	91.3	Very high	82 Å²	82	89 Å²	89	43%	0.429	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176.3	179.2	61	0	0	0	111.9	I143 G145 E147 E151 V152 A153	I143-L149 HydrophobicContact CG2-CB 3.74Å; I143-L149 HydrophobicContact CG2-CD1 4.14Å; G145-L149 WeakPolarHBondContact O-CB 3.24Å; G145-L149 PolarHBondContact O-N 3.25Å; E147-L149 PolarHBondContact O-N 3.35Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.81Å; L149-V152 PolarHBondContact O-N 2.77Å; L149-A153 HydrophobicContact CD1-CB 4.45Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.24Å
150	K	91.1	Very high	91.4	Very high	160 Å²	160	91.3 Å²	91.3	70%	0.696	46%	0.464	S	S	*	.	H	α-helix	trans	-60.7	-36.4	175.2	179.9	-173.8	173.2	-168	0	111.9	P146 E147 N154	P146-K150 WeakPolarHBondContact O-CB 3.45Å; P146-K150 PolarHBondContact O-N 3.29Å; E147-K150 WeakPolarHBondContact O-CB 3.31Å; E147-K150 PolarHBondContact O-N 3.31Å; E147-K150 VanDerWaalsContact O-N 3.08Å; K150-N154 PolarHBondContact O-N 2.57Å; K150-N154 VanDerWaalsContact O-N 3.15Å
151	E	90.2	Very high	91.6	Very high	131 Å²	131	98.9 Å²	98.9	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-68.4	-47.1	175.4	-66.6	175	-178.8	0	0	112.7	E147 H148 L149 N154	E147-E151 PolarHBondContact O-N 2.91Å; E147-E151 VanDerWaalsContact O-N 3.09Å; H148-E151 WeakPolarHBondContact O-CB 3.28Å; H148-E151 PolarHBondContact O-N 2.99Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.81Å; E151-N154 WeakPolarHBondContact O-CB 3.48Å; E151-N154 PolarHBondContact O-N 3.46Å
152	V	89.9	Confident	92	Very high	17 Å²	17	96.2 Å²	96.2	10%	0.103	47%	0.466	C	S	.	.	H	α-helix	trans	-73.5	-34.9	-179.1	-157.8	0	0	0	0	111.8	L133 K141 I143 H148 L149 N154	L133-V152 HydrophobicContact CD2-CB 3.92Å; L133-V152 HydrophobicContact CD2-CG1 3.85Å; K141-V152 HydrophobicContact CD-CG1 4.2Å; K141-V152 HydrophobicContact CD-CG2 3.9Å; I143-V152 HydrophobicContact CD1-CB 4.01Å; I143-V152 HydrophobicContact CD1-CG1 4.22Å; I143-V152 HydrophobicContact CD1-CG2 3.76Å; I143-V152 HydrophobicContact CG1-CG2 3.81Å; H148-V152 WeakPolarHBondContact O-CG2 3.34Å; H148-V152 PolarHBondContact O-N 2.91Å; L149-V152 PolarHBondContact O-N 2.77Å; V152-N154 PolarHBondContact O-N 2.85Å
153	A	91.9	Very high	92.5	Very high	24 Å²	24	87.1 Å²	87.1	20%	0.198	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	11.5	176.3	0	0	0	0	0	113.3	L133 L149 G155 S156	L133-A153 HydrophobicContact CD1-CB 4.18Å; L133-A153 HydrophobicContact CD2-CB 4.05Å; L149-A153 HydrophobicContact CD1-CB 4.45Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.24Å; A153-G155 PolarHBondContact O-N 3.45Å; A153-S156 VanDerWaalsContact O-CB 3.24Å; A153-S156 WeakPolarHBondContact O-CB 3.32Å; A153-S156 PolarHBondContact O-N 3.47Å; A153-S156 VanDerWaalsContact O-N 3.1Å; A153-S156 PolarHBondContact O-OG 3.32Å
154	N	91.5	Very high	93.1	Very high	124 Å²	124	85.1 Å²	85.1	66%	0.663	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	139.3	178.3	-172.8	24.1	0	0	0	110.7	R129 K150 E151 V152 S156	R129-N154 WeakPolarHBondContact CD-O 3.37Å; R129-N154 PolarHBondContact NE-O 3.24Å; R129-N154 VanDerWaalsContact NE-O 3.09Å; K150-N154 PolarHBondContact O-N 2.57Å; K150-N154 VanDerWaalsContact O-N 3.15Å; E151-N154 WeakPolarHBondContact O-CB 3.48Å; E151-N154 PolarHBondContact O-N 3.46Å; V152-N154 PolarHBondContact O-N 2.85Å; N154-S156 VanDerWaalsContact C-N 3.34Å
155	G	90.7	Very high	93.5	Very high	21 Å²	21	80.1 Å²	80.1	22%	0.216	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-15.9	-173	0	0	0	0	0	115.3	A153 R272	A153-G155 PolarHBondContact O-N 3.45Å; G155-R272 PolarHBondContact O-NH1 3.15Å
156	S	93.5	Very high	94	Very high	38 Å²	38	77.8 Å²	77.8	27%	0.266	37%	0.372	S	S	.	.			trans	-63.9	135.9	173.8	-69.7	0	0	0	0	111.7	Y127 R128 R129 A153 N154	Y127-S156 CarbonylContact O-C 3.47Å; Y127-S156 WeakPolarHBondContact O-CA 3.37Å; R128-S156 PolarHBondContact O-OG 3.08Å; R129-S156 WeakPolarHBondContact CB-OG 3.48Å; R129-S156 WeakPolarHBondContact CD-OG 3.31Å; R129-S156 VanDerWaalsContact CG-OG 3.25Å; R129-S156 WeakPolarHBondContact CG-OG 3.42Å; A153-S156 VanDerWaalsContact O-CB 3.24Å; A153-S156 WeakPolarHBondContact O-CB 3.32Å; A153-S156 PolarHBondContact O-N 3.47Å; A153-S156 VanDerWaalsContact O-N 3.1Å; A153-S156 PolarHBondContact O-OG 3.32Å; N154-S156 VanDerWaalsContact C-N 3.34Å
157	A	95.2	Very high	94.4	Very high	21 Å²	21	72.8 Å²	72.8	17%	0.174	34%	0.34	C	S	.	.			trans	-116.6	170.9	-170.4	0	0	0	0	0	113.3	Y127 R128	Y127-A157 HydrophobicContact CD1-CB 3.7Å; Y127-A157 HydrophobicContact CE1-CB 3.98Å; Y127-A157 PolarHBondContact O-N 2.78Å; R128-A157 PolarHBondContact NH1-O 2.73Å
158	R	96.7	Very high	94.8	Very high	199 Å²	199	65.8 Å²	65.8	75%	0.751	31%	0.308	S	S	*	.			trans	-94.2	133.1	166.1	170.8	-179.6	-68.8	-171	-0.5	106.9
159	I	97.6	Very high	95.1	Very high	20 Å²	20	62.1 Å²	62.1	10%	0.103	29%	0.291	C	S	.	.			trans	-82.4	-35.1	-177.6	-67.5	155.5	0	0	0	112.6	L124 Y127 R161 D162 F183 F185	L124-I159 HydrophobicContact CD2-CD1 3.51Å; Y127-I159 HydrophobicContact CD1-CB 4.35Å; Y127-I159 HydrophobicContact CD1-CG1 3.4Å; Y127-I159 VanDerWaalsContact CD1-CG1 3.4Å; Y127-I159 HydrophobicContact CD2-CG1 4.49Å; Y127-I159 HydrophobicContact CE1-CG1 4.05Å; Y127-I159 HydrophobicContact CG-CD1 4.43Å; Y127-I159 HydrophobicContact CG-CG1 3.68Å; I159-R161 PolarHBondContact O-N 2.92Å; I159-D162 PolarHBondContact O-N 1.79Å; I159-D162 VanDerWaalsContact O-N 3.08Å; I159-F183 HydrophobicContact CG2-CB 3.81Å; I159-F185 HydrophobicContact CB-CZ 4.49Å; I159-F185 HydrophobicContact CG1-CZ 4.41Å; I159-F185 HydrophobicContact CG2-CD1 4.11Å; I159-F185 HydrophobicContact CG2-CD2 3.58Å; I159-F185 HydrophobicContact CG2-CE1 3.9Å; I159-F185 HydrophobicContact CG2-CE2 3.34Å; I159-F185 HydrophobicContact CG2-CG 3.97Å; I159-F185 HydrophobicContact CG2-CZ 3.51Å
160	R	97.1	Very high	95.4	Very high	182 Å²	182	59.9 Å²	59.9	69%	0.687	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	118.1	-171.2	-176.9	-176.2	-69.6	-165.9	-2.7	111.5	G184	R160-G184 WeakPolarHBondContact CA-O 3.46Å
161	R	95.2	Very high	95.6	Very high	216 Å²	216	60 Å²	60	82%	0.815	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-1.6	-174.4	-58	174.1	179	164	-3.2	116.7	I159 G184	I159-R161 PolarHBondContact O-N 2.92Å; R161-G184 PolarHBondContact N-O 2.95Å
162	D	97.6	Very high	96	Very high	43 Å²	43	55.3 Å²	55.3	23%	0.23	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71	150.4	170.6	-72.1	37.9	0	0	0	109.4	Y127 I159 F185 H186 D218	Y127-D162 HydrophobicContact CE1-CB 4.27Å; Y127-D162 WeakPolarHBondContact CE1-OD2 3.41Å; Y127-D162 WeakPolarHBondContact OH-CB 3.2Å; Y127-D162 PolarHBondContact OH-OD2 3.43Å; Y127-D162 VanDerWaalsContact OH-OD2 3.14Å; I159-D162 PolarHBondContact O-N 1.79Å; I159-D162 VanDerWaalsContact O-N 3.08Å; D162-F185 HydrophobicContact CB-CD1 4.32Å; D162-F185 HydrophobicContact CB-CE1 4.27Å; D162-F185 WeakPolarHBondContact O-CA 3.21Å; D162-F185 WeakPolarHBondContact O-CD1 3.41Å; D162-H186 PolarHBondContact O-N 3.16Å; D162-D218 HydrophobicContact CB-CB 4.18Å
163	T	98.4	Very high	96.4	Very high	16 Å²	16	54.5 Å²	54.5	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.5	-178.9	-58.6	0	0	0	0	111.3	H186 T188 Q216 D218 C219	T163-H186 CarbonylContact C-O 3.5Å; T163-H186 WeakPolarHBondContact CA-O 3.41Å; T163-T188 HydrophobicContact CG2-CG2 3.64Å; T163-Q216 VanDerWaalsContact CB-O 3.23Å; T163-Q216 WeakPolarHBondContact CB-O 3.3Å; T163-Q216 HydrophobicContact CG2-CG 4.3Å; T163-Q216 WeakPolarHBondContact CG2-O 3.37Å; T163-Q216 PolarHBondContact OG1-O 3.15Å; T163-D218 PolarHBondContact N-OD2 3.4Å; T163-D218 PolarHBondContact O-N 3.09Å; T163-C219 PolarHBondContact O-N 2.93Å; T163-C219 VanDerWaalsContact O-N 3.09Å
164	L	98.7	Very high	96.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.5	169.6	-178.1	65.5	0	0	0	109.6	I123 I166 V176 A180 F185 H186 T188 C219 T221	I123-L164 HydrophobicContact CD1-CD1 3.94Å; I123-L164 HydrophobicContact CD1-CD2 4.3Å; L164-I166 HydrophobicContact CD2-CD1 4.41Å; L164-I166 HydrophobicContact CD2-CG1 4.42Å; L164-I166 HydrophobicContact CG-CG1 4.3Å; L164-V176 HydrophobicContact CD2-CG1 4.26Å; L164-A180 HydrophobicContact CD2-CB 3.45Å; L164-A180 VanDerWaalsContact CD2-CB 3.45Å; L164-F185 HydrophobicContact CB-CB 4.22Å; L164-F185 HydrophobicContact CB-CD1 3.81Å; L164-F185 HydrophobicContact CB-CE1 4.33Å; L164-F185 HydrophobicContact CB-CG 4.05Å; L164-H186 PolarHBondContact N-O 2.87Å; L164-T188 PolarHBondContact O-N 3.3Å; L164-T188 VanDerWaalsContact O-O 3.1Å; L164-T188 PolarHBondContact O-OG1 3.32Å; L164-C219 CarbonylContact C-O 3.37Å; L164-C219 WeakPolarHBondContact CA-O 3.33Å; L164-C219 HydrophobicContact CD1-CB 3.97Å; L164-T221 HydrophobicContact CD1-CG2 3.96Å; L164-T221 HydrophobicContact CG-CG2 4.44Å
165	G	98.7	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116	173.2	0	0	0	0	0	111.8	T188 S217 C219 V220 T221	G165-T188 WeakPolarHBondContact CA-O 3.27Å; G165-S217 WeakPolarHBondContact CA-OG 3.17Å; G165-S217 PolarHBondContact N-OG 2.91Å; G165-C219 PolarHBondContact N-O 2.75Å; G165-V220 WeakPolarHBondContact O-CA 3.17Å; G165-T221 PolarHBondContact O-N 3.34Å
166	I	98.8	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.2	177.4	-65.7	171.7	0	0	0	109.9	L164 G168 L169 V176 A177 V187 T188 F189 Y190 L213 T221	L164-I166 HydrophobicContact CD2-CD1 4.41Å; L164-I166 HydrophobicContact CD2-CG1 4.42Å; L164-I166 HydrophobicContact CG-CG1 4.3Å; I166-G168 WeakPolarHBondContact CG2-O 3.3Å; I166-L169 HydrophobicContact CD1-CD1 4.44Å; I166-L169 HydrophobicContact CG2-CD1 4.11Å; I166-V176 HydrophobicContact CD1-CG1 4.2Å; I166-A177 HydrophobicContact CD1-CB 3.74Å; I166-V187 HydrophobicContact CD1-CG1 3.73Å; I166-T188 PolarHBondContact N-O 3.44Å; I166-F189 HydrophobicContact CB-CB 4Å; I166-F189 HydrophobicContact CG2-CB 4.41Å; I166-F189 CarbonylContact O-C 3.55Å; I166-F189 WeakPolarHBondContact O-CA 3.35Å; I166-F189 WeakPolarHBondContact O-CB 3.48Å; I166-Y190 PolarHBondContact O-N 3.47Å; I166-L213 WeakPolarHBondContact O-CD1 3.04Å; I166-T221 HydrophobicContact CB-CG2 4.46Å; I166-T221 HydrophobicContact CG1-CG2 3.75Å
167	V	98.6	Very high	97.6	Very high	2 Å²	2	47 Å²	47	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.5	174.8	-177.4	0	0	0	0	109.3	Y190 L210 L213 V220 T221 L222 H223 C224 M233	V167-Y190 HydrophobicContact CG1-CD1 4.39Å; V167-L210 HydrophobicContact CG1-CD1 4.31Å; V167-L210 HydrophobicContact CG2-CD1 3.85Å; V167-L213 HydrophobicContact CG2-CD1 4.25Å; V167-L213 HydrophobicContact CG2-CD2 3.81Å; V167-V220 HydrophobicContact CG2-CG1 4.21Å; V167-T221 PolarHBondContact N-O 2.55Å; V167-L222 HydrophobicContact CB-CD2 3.76Å; V167-L222 HydrophobicContact CG1-CD2 4.31Å; V167-L222 HydrophobicContact CG2-CD2 3.86Å; V167-H223 CarbonylContact O-C 3.57Å; V167-H223 PolarHBondContact O-N 3.26Å; V167-C224 PolarHBondContact O-N 3Å; V167-C224 VanDerWaalsContact O-N 3.08Å; V167-M233 HydrophobicContact CG1-CE 3.81Å; V167-M233 HydrophobicContact CG1-SD 3.8Å
168	G	97.8	Very high	97.7	Very high	4 Å²	4	50.2 Å²	50.2	4%	0.041	23%	0.225	C	C	.	.			trans	88.1	107.7	-170	0	0	0	0	0	112.2	I166 G170 Y190 D191 H223	I166-G168 WeakPolarHBondContact CG2-O 3.3Å; G168-G170 VanDerWaalsContact C-N 3.3Å; G168-G170 PolarHBondContact O-N 3.12Å; G168-Y190 PolarHBondContact N-O 2.94Å; G168-D191 WeakPolarHBondContact CA-OD2 3.35Å; G168-H223 WeakPolarHBondContact O-CB 3.49Å
169	L	97.6	Very high	97.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	20%	0.199	C	C	.	.			trans	-98.8	46.1	-179.5	-165.9	84.2	0	0	0	111.1	I166 T174 A177 F189 D191 L194 I198 L202 I204	I166-L169 HydrophobicContact CD1-CD1 4.44Å; I166-L169 HydrophobicContact CG2-CD1 4.11Å; L169-T174 PolarHBondContact O-OG1 2.71Å; L169-A177 HydrophobicContact CD1-CB 4.38Å; L169-F189 HydrophobicContact CB-CB 4.33Å; L169-F189 HydrophobicContact CB-CD2 3.51Å; L169-F189 HydrophobicContact CB-CE2 3.93Å; L169-F189 HydrophobicContact CB-CG 3.99Å; L169-F189 HydrophobicContact CD1-CB 4.05Å; L169-F189 HydrophobicContact CD1-CD1 4.38Å; L169-F189 HydrophobicContact CD1-CD2 4.44Å; L169-F189 HydrophobicContact CD1-CG 4.05Å; L169-F189 HydrophobicContact CD2-CD1 3.97Å; L169-F189 HydrophobicContact CD2-CD2 3.87Å; L169-F189 HydrophobicContact CD2-CE1 3.84Å; L169-F189 HydrophobicContact CD2-CE2 3.73Å; L169-F189 HydrophobicContact CD2-CG 3.97Å; L169-F189 HydrophobicContact CD2-CZ 3.7Å; L169-F189 HydrophobicContact CG-CD2 4.13Å; L169-F189 HydrophobicContact CG-CE2 4.42Å; L169-F189 HydrophobicContact CG-CG 4.22Å; L169-D191 HydrophobicContact CB-CB 4.45Å; L169-D191 PolarHBondContact N-OD2 3.13Å; L169-L194 HydrophobicContact CB-CD1 3.77Å; L169-L194 HydrophobicContact CD2-CD1 4.35Å; L169-I198 HydrophobicContact CD2-CG2 3.9Å; L169-L202 HydrophobicContact CD2-CD1 3.87Å; L169-I204 HydrophobicContact CD1-CD1 3.83Å; L169-I204 HydrophobicContact CD2-CD1 3.81Å; L169-I204 HydrophobicContact CG-CD1 4.5Å
170	G	96	Very high	97.8	Very high	35 Å²	35	42.5 Å²	42.5	36%	0.361	19%	0.194	S	C	.	.	S	Bend	trans	-69.6	-161.2	171.5	0	0	0	0	0	112.8	G168 V172 G173 T174	G168-G170 VanDerWaalsContact C-N 3.3Å; G168-G170 PolarHBondContact O-N 3.12Å; G170-V172 PolarHBondContact O-N 3.2Å; G170-G173 PolarHBondContact O-N 2.77Å; G170-T174 WeakPolarHBondContact O-CB 3.05Å; G170-T174 PolarHBondContact O-N 2.94Å; G170-T174 PolarHBondContact O-OG1 2.86Å
171	R	96.4	Very high	97.8	Very high	164 Å²	164	37.1 Å²	37.1	62%	0.619	18%	0.177	S	C	*	.	H	α-helix	trans	-53.8	-50.8	-179.3	-63.2	177.3	-179.1	80.6	0.9	112.5	V112 A175	V112-R171 HydrophobicContact CG1-CB 3.91Å; V112-R171 HydrophobicContact CG2-CB 3.86Å; R171-A175 PolarHBondContact O-N 3.46Å; R171-A175 VanDerWaalsContact O-N 3.15Å
172	V	97.8	Very high	98	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-46.2	179	-177.9	0	0	0	0	111.2	V112 A116 G170 T174 A175 V176	V112-V172 HydrophobicContact CG1-CG2 4.47Å; A116-V172 HydrophobicContact CB-CG1 4.49Å; G170-V172 PolarHBondContact O-N 3.2Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.04Å; V172-A175 PolarHBondContact O-N 3.4Å; V172-A175 VanDerWaalsContact O-N 3.11Å; V172-V176 HydrophobicContact CG1-CG2 4.18Å; V172-V176 WeakPolarHBondContact O-CB 3.46Å; V172-V176 WeakPolarHBondContact O-CG2 3.27Å; V172-V176 PolarHBondContact O-N 3Å
173	G	98	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-39.7	177.8	0	0	0	0	0	113.2	G170 A177	G170-G173 PolarHBondContact O-N 2.77Å; G173-A177 WeakPolarHBondContact O-CB 3.48Å; G173-A177 PolarHBondContact O-N 3.21Å
174	T	97.9	Very high	97.9	Very high	37 Å²	37	34 Å²	34	23%	0.227	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-45.7	173.9	-60	0	0	0	0	111.9	L169 G170 V172 V176 A177 L178 L202	L169-T174 PolarHBondContact O-OG1 2.71Å; G170-T174 WeakPolarHBondContact O-CB 3.05Å; G170-T174 PolarHBondContact O-N 2.94Å; G170-T174 PolarHBondContact O-OG1 2.86Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.04Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 2.95Å; T174-A177 PolarHBondContact O-N 3.04Å; T174-L178 HydrophobicContact CG2-CD1 4.27Å; T174-L178 WeakPolarHBondContact O-CG 3.5Å; T174-L178 PolarHBondContact O-N 2.99Å; T174-L178 VanDerWaalsContact O-N 3.15Å; T174-L202 HydrophobicContact CG2-CD1 3.92Å; T174-L202 HydrophobicContact CG2-CD2 3.89Å
175	A	98.3	Very high	97.9	Very high	11 Å²	11	34.6 Å²	34.6	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-38.5	177.9	0	0	0	0	0	112.3	V112 A116 R171 V172 R179	V112-A175 HydrophobicContact CG1-CB 4.31Å; A116-A175 HydrophobicContact CB-CB 3.63Å; R171-A175 PolarHBondContact O-N 3.46Å; R171-A175 VanDerWaalsContact O-N 3.15Å; V172-A175 PolarHBondContact O-N 3.4Å; V172-A175 VanDerWaalsContact O-N 3.11Å; A175-R179 VanDerWaalsContact O-CD 3.31Å; A175-R179 WeakPolarHBondContact O-CD 3.3Å; A175-R179 VanDerWaalsContact O-CG 3.28Å; A175-R179 WeakPolarHBondContact O-CG 3.45Å; A175-R179 PolarHBondContact O-N 3.31Å
176	V	98.6	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-45.1	173.1	168.2	0	0	0	0	111.5	A116 T119 L120 L164 I166 V172 T174 L178 R179 A180 T221	A116-V176 HydrophobicContact CB-CG2 3.67Å; T119-V176 HydrophobicContact CG2-CG1 4.16Å; T119-V176 HydrophobicContact CG2-CG2 3.87Å; L120-V176 HydrophobicContact CD2-CB 4.21Å; L120-V176 HydrophobicContact CD2-CG1 3.89Å; L120-V176 HydrophobicContact CD2-CG2 4.15Å; L164-V176 HydrophobicContact CD2-CG1 4.26Å; I166-V176 HydrophobicContact CD1-CG1 4.2Å; V172-V176 HydrophobicContact CG1-CG2 4.18Å; V172-V176 WeakPolarHBondContact O-CB 3.46Å; V172-V176 WeakPolarHBondContact O-CG2 3.27Å; V172-V176 PolarHBondContact O-N 3Å; T174-V176 VanDerWaalsContact C-N 3.33Å; T174-V176 PolarHBondContact O-N 2.95Å; V176-L178 PolarHBondContact O-N 2.83Å; V176-R179 PolarHBondContact O-N 3Å; V176-A180 VanDerWaalsContact O-CB 3.24Å; V176-A180 WeakPolarHBondContact O-CB 3.48Å; V176-A180 PolarHBondContact O-N 2.83Å; V176-T221 HydrophobicContact CG1-CG2 4.38Å
177	A	98.3	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-50.4	178.7	0	0	0	0	0	112.3	I166 L169 G173 T174 R179 A180 Q181 V187 I204	I166-A177 HydrophobicContact CD1-CB 3.74Å; L169-A177 HydrophobicContact CD1-CB 4.38Å; G173-A177 WeakPolarHBondContact O-CB 3.48Å; G173-A177 PolarHBondContact O-N 3.21Å; T174-A177 PolarHBondContact O-N 3.04Å; A177-R179 PolarHBondContact O-N 3.35Å; A177-A180 PolarHBondContact O-N 3.41Å; A177-Q181 WeakPolarHBondContact O-CG 3.48Å; A177-Q181 PolarHBondContact O-N 3.37Å; A177-Q181 VanDerWaalsContact O-N 3.08Å; A177-V187 HydrophobicContact CB-CG1 3.87Å; A177-I204 HydrophobicContact CB-CD1 4.36Å
178	L	97.9	Very high	97.9	Very high	89 Å²	89	38.8 Å²	38.8	47%	0.466	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-40.7	179.8	-67.7	170	0	0	0	112.2	T174 V176 L202	T174-L178 HydrophobicContact CG2-CD1 4.27Å; T174-L178 WeakPolarHBondContact O-CG 3.5Å; T174-L178 PolarHBondContact O-N 2.99Å; T174-L178 VanDerWaalsContact O-N 3.15Å; V176-L178 PolarHBondContact O-N 2.83Å; L178-L202 HydrophobicContact CD2-CD2 4.09Å; L178-L202 HydrophobicContact CG-CD2 4.43Å
179	R	98.5	Very high	97.9	Very high	58 Å²	58	38.7 Å²	38.7	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-40.8	175.3	-72.1	163.9	158.8	77	-7.4	111.9	E113 D117 L120 A175 V176 A177 A182 F183	E113-R179 IonicContact OE1-CZ 3.28Å; E113-R179 IonicContact OE1-NH1 3.17Å; E113-R179 PolarHBondContact OE1-NH1 3.11Å; E113-R179 IonicContact OE1-NH2 2.6Å; E113-R179 PolarHBondContact OE1-NH2 2.75Å; D117-R179 IonicContact OD1-CZ 2.97Å; D117-R179 IonicContact OD1-NE 3.86Å; D117-R179 PolarHBondContact OD1-NE 3.46Å; D117-R179 IonicContact OD1-NH2 3.85Å; D117-R179 PolarHBondContact OD1-NH2 2.84Å; D117-R179 IonicContact OD2-CZ 3.47Å; D117-R179 IonicContact OD2-NE 3.53Å; D117-R179 IonicContact OD2-NH2 3.56Å; D117-R179 PolarHBondContact OD2-NH2 3.42Å; L120-R179 HydrophobicContact CD2-CB 3.85Å; L120-R179 HydrophobicContact CG-CB 3.91Å; A175-R179 VanDerWaalsContact O-CD 3.31Å; A175-R179 WeakPolarHBondContact O-CD 3.3Å; A175-R179 VanDerWaalsContact O-CG 3.28Å; A175-R179 WeakPolarHBondContact O-CG 3.45Å; A175-R179 PolarHBondContact O-N 3.31Å; V176-R179 PolarHBondContact O-N 3Å; A177-R179 PolarHBondContact O-N 3.35Å; R179-A182 PolarHBondContact O-N 3.45Å; R179-F183 WeakPolarHBondContact O-CD2 3.37Å
180	A	98.3	Very high	98	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-37	-178	0	0	0	0	0	113.5	L164 V176 A177 A182 F183 F185 V187	L164-A180 HydrophobicContact CD2-CB 3.45Å; L164-A180 VanDerWaalsContact CD2-CB 3.45Å; V176-A180 VanDerWaalsContact O-CB 3.24Å; V176-A180 WeakPolarHBondContact O-CB 3.48Å; V176-A180 PolarHBondContact O-N 2.83Å; A177-A180 PolarHBondContact O-N 3.41Å; A180-A182 PolarHBondContact O-N 2.98Å; A180-F183 PolarHBondContact O-N 3.41Å; A180-F183 VanDerWaalsContact O-N 3.08Å; A180-F185 HydrophobicContact CB-CB 4.32Å; A180-F185 HydrophobicContact CB-CD2 3.87Å; A180-F185 HydrophobicContact CB-CG 4.42Å; A180-V187 HydrophobicContact CB-CG2 4Å
181	Q	97.2	Very high	98	Very high	69 Å²	69	40 Å²	40	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-53	-38.6	175	-77.7	171.5	-29.6	0	0	112.1	A177 F183 G184 V187 L202 G203 I204	A177-Q181 WeakPolarHBondContact O-CG 3.48Å; A177-Q181 PolarHBondContact O-N 3.37Å; A177-Q181 VanDerWaalsContact O-N 3.08Å; Q181-F183 VanDerWaalsContact C-N 3.3Å; Q181-F183 PolarHBondContact O-N 3.02Å; Q181-G184 WeakPolarHBondContact O-CA 3.41Å; Q181-G184 PolarHBondContact O-N 2.63Å; Q181-V187 HydrophobicContact CG-CG2 4.11Å; Q181-L202 PolarHBondContact NE2-O 3.06Å; Q181-G203 PolarHBondContact NE2-O 3.43Å; Q181-I204 VanDerWaalsContact NE2-CG2 3.34Å
182	A	97.9	Very high	98	Very high	90 Å²	90	35.5 Å²	35.5	74%	0.744	20%	0.198	S	C	*	.	H	α-helix	trans	-64.9	-28	-179.9	0	0	0	0	0	114.1	R179 A180 G184	R179-A182 PolarHBondContact O-N 3.45Å; A180-A182 PolarHBondContact O-N 2.98Å; A182-G184 VanDerWaalsContact C-N 3.26Å
183	F	98.2	Very high	97.9	Very high	92 Å²	92	41 Å²	41	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-80.5	-9.3	173.1	-65.3	-85.8	0	0	0	112.9	L120 L124 I159 R179 A180 Q181 F185	L120-F183 HydrophobicContact CD1-CD2 4.13Å; L120-F183 HydrophobicContact CD1-CE2 4.01Å; L124-F183 HydrophobicContact CD1-CE1 3.91Å; L124-F183 HydrophobicContact CD1-CE2 4.37Å; L124-F183 HydrophobicContact CD1-CZ 3.7Å; L124-F183 HydrophobicContact CD2-CD1 3.85Å; L124-F183 HydrophobicContact CD2-CE1 3.78Å; L124-F183 HydrophobicContact CD2-CG 4.35Å; L124-F183 HydrophobicContact CD2-CZ 4.23Å; L124-F183 HydrophobicContact CG-CE1 4.49Å; I159-F183 HydrophobicContact CG2-CB 3.81Å; R179-F183 WeakPolarHBondContact O-CD2 3.37Å; A180-F183 PolarHBondContact O-N 3.41Å; A180-F183 VanDerWaalsContact O-N 3.08Å; Q181-F183 VanDerWaalsContact C-N 3.3Å; Q181-F183 PolarHBondContact O-N 3.02Å; F183-F185 HydrophobicContact CB-CD2 4.25Å
184	G	97.5	Very high	97.7	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	26.8	-178.8	0	0	0	0	0	114.2	R160 R161 Q181 A182	R160-G184 WeakPolarHBondContact CA-O 3.46Å; R161-G184 PolarHBondContact N-O 2.95Å; Q181-G184 WeakPolarHBondContact O-CA 3.41Å; Q181-G184 PolarHBondContact O-N 2.63Å; A182-G184 VanDerWaalsContact C-N 3.26Å
185	F	98.4	Very high	97.6	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64	145.9	163.4	-81.1	-73.7	0	0	0	110.5	I123 Y127 I159 D162 L164 A180 F183 V187	I123-F185 HydrophobicContact CG2-CE2 3.8Å; I123-F185 HydrophobicContact CG2-CZ 3.52Å; Y127-F185 HydrophobicContact CD2-CZ 4.21Å; Y127-F185 HydrophobicContact CE1-CE1 4.48Å; Y127-F185 AromaticContact CE2-CE1 3.89Å; Y127-F185 HydrophobicContact CE2-CE1 3.89Å; Y127-F185 AromaticContact CE2-CZ 3.77Å; Y127-F185 HydrophobicContact CE2-CZ 3.77Å; Y127-F185 AromaticContact CZ-CE1 3.76Å; I159-F185 HydrophobicContact CB-CZ 4.49Å; I159-F185 HydrophobicContact CG1-CZ 4.41Å; I159-F185 HydrophobicContact CG2-CD1 4.11Å; I159-F185 HydrophobicContact CG2-CD2 3.58Å; I159-F185 HydrophobicContact CG2-CE1 3.9Å; I159-F185 HydrophobicContact CG2-CE2 3.34Å; I159-F185 HydrophobicContact CG2-CG 3.97Å; I159-F185 HydrophobicContact CG2-CZ 3.51Å; D162-F185 HydrophobicContact CB-CD1 4.32Å; D162-F185 HydrophobicContact CB-CE1 4.27Å; D162-F185 WeakPolarHBondContact O-CA 3.21Å; D162-F185 WeakPolarHBondContact O-CD1 3.41Å; L164-F185 HydrophobicContact CB-CB 4.22Å; L164-F185 HydrophobicContact CB-CD1 3.81Å; L164-F185 HydrophobicContact CB-CE1 4.33Å; L164-F185 HydrophobicContact CB-CG 4.05Å; A180-F185 HydrophobicContact CB-CB 4.32Å; A180-F185 HydrophobicContact CB-CD2 3.87Å; A180-F185 HydrophobicContact CB-CG 4.42Å; F183-F185 HydrophobicContact CB-CD2 4.25Å; F185-V187 HydrophobicContact CB-CG2 4.14Å
186	H	98.1	Very high	97.4	Very high	86 Å²	86	50.8 Å²	50.8	40%	0.398	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.5	156.4	-175.8	56.3	0	0	0	107.8	D162 T163 L164 E205	D162-H186 PolarHBondContact O-N 3.16Å; T163-H186 CarbonylContact C-O 3.5Å; T163-H186 WeakPolarHBondContact CA-O 3.41Å; L164-H186 PolarHBondContact N-O 2.87Å; H186-E205 IonicContact CD2-OE2 3.42Å; H186-E205 IonicContact CE1-OE2 2.76Å; H186-E205 PolarHBondContact CE1-OE2 2.92Å; H186-E205 IonicContact NE2-OE2 3.19Å; H186-E205 PolarHBondContact NE2-OE2 2.89Å
187	V	98.4	Very high	97.2	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	-173.5	-178.1	0	0	0	0	110.1	I166 A177 A180 Q181 F185 I204 E205	I166-V187 HydrophobicContact CD1-CG1 3.73Å; A177-V187 HydrophobicContact CB-CG1 3.87Å; A180-V187 HydrophobicContact CB-CG2 4Å; Q181-V187 HydrophobicContact CG-CG2 4.11Å; F185-V187 HydrophobicContact CB-CG2 4.14Å; V187-I204 HydrophobicContact CB-CB 4.38Å; V187-I204 HydrophobicContact CB-CG2 3.86Å; V187-I204 HydrophobicContact CG1-CB 4.33Å; V187-I204 HydrophobicContact CG1-CG2 3.94Å; V187-E205 PolarHBondContact O-N 3.3Å; V187-E205 VanDerWaalsContact O-N 3.08Å
188	T	98.3	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149	177.8	74.6	0	0	0	0	109.6	T163 L164 G165 I166 E205 Q216	T163-T188 HydrophobicContact CG2-CG2 3.64Å; L164-T188 PolarHBondContact O-N 3.3Å; L164-T188 VanDerWaalsContact O-O 3.1Å; L164-T188 PolarHBondContact O-OG1 3.32Å; G165-T188 WeakPolarHBondContact CA-O 3.27Å; I166-T188 PolarHBondContact N-O 3.44Å; T188-E205 CarbonylContact C-O 3.57Å; T188-E205 VanDerWaalsContact CA-O 3.23Å; T188-E205 WeakPolarHBondContact CA-O 3.42Å; T188-E205 HydrophobicContact CG2-CB 4.12Å; T188-E205 HydrophobicContact CG2-CG 4.42Å; T188-Q216 PolarHBondContact OG1-NE2 2.95Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.13Å
189	F	98.6	Very high	96.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.1	177.8	78.2	-83.3	0	0	0	114.2	I166 L169 D191 L194 E199 I204 E205 R206 V207	I166-F189 HydrophobicContact CB-CB 4Å; I166-F189 HydrophobicContact CG2-CB 4.41Å; I166-F189 CarbonylContact O-C 3.55Å; I166-F189 WeakPolarHBondContact O-CA 3.35Å; I166-F189 WeakPolarHBondContact O-CB 3.48Å; L169-F189 HydrophobicContact CB-CB 4.33Å; L169-F189 HydrophobicContact CB-CD2 3.51Å; L169-F189 HydrophobicContact CB-CE2 3.93Å; L169-F189 HydrophobicContact CB-CG 3.99Å; L169-F189 HydrophobicContact CD1-CB 4.05Å; L169-F189 HydrophobicContact CD1-CD1 4.38Å; L169-F189 HydrophobicContact CD1-CD2 4.44Å; L169-F189 HydrophobicContact CD1-CG 4.05Å; L169-F189 HydrophobicContact CD2-CD1 3.97Å; L169-F189 HydrophobicContact CD2-CD2 3.87Å; L169-F189 HydrophobicContact CD2-CE1 3.84Å; L169-F189 HydrophobicContact CD2-CE2 3.73Å; L169-F189 HydrophobicContact CD2-CG 3.97Å; L169-F189 HydrophobicContact CD2-CZ 3.7Å; L169-F189 HydrophobicContact CG-CD2 4.13Å; L169-F189 HydrophobicContact CG-CE2 4.42Å; L169-F189 HydrophobicContact CG-CG 4.22Å; F189-D191 HydrophobicContact CD2-CB 4.05Å; F189-D191 HydrophobicContact CE2-CB 4.17Å; F189-L194 HydrophobicContact CE2-CD1 4.42Å; F189-E199 HydrophobicContact CE1-CB 3.69Å; F189-E199 HydrophobicContact CZ-CB 4.03Å; F189-I204 HydrophobicContact CD1-CD1 3.54Å; F189-I204 HydrophobicContact CD1-CG1 3.88Å; F189-I204 HydrophobicContact CE1-CD1 3.78Å; F189-I204 HydrophobicContact CE1-CG1 3.86Å; F189-I204 HydrophobicContact CG-CD1 4.47Å; F189-E205 VanDerWaalsContact CD1-O 3.22Å; F189-E205 WeakPolarHBondContact CD1-O 3.27Å; F189-E205 PolarHBondContact N-O 3.33Å; F189-R206 HydrophobicContact CD1-CB 4.25Å; F189-R206 HydrophobicContact CD2-CG 4.32Å; F189-R206 HydrophobicContact CE1-CB 3.59Å; F189-R206 HydrophobicContact CE1-CG 3.96Å; F189-R206 HydrophobicContact CE2-CB 4.29Å; F189-R206 HydrophobicContact CE2-CG 3.7Å; F189-R206 HydrophobicContact CZ-CB 3.63Å; F189-R206 HydrophobicContact CZ-CG 3.51Å; F189-V207 WeakPolarHBondContact O-CG2 3.3Å; F189-V207 PolarHBondContact O-N 2.87Å
190	Y	98.4	Very high	96.7	Very high	50 Å²	50	58 Å²	58	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.5	168.4	171.7	-113.4	0	0	0	108.5	I166 V167 G168 P192 Y208 S209 L210 L213	I166-Y190 PolarHBondContact O-N 3.47Å; V167-Y190 HydrophobicContact CG1-CD1 4.39Å; G168-Y190 PolarHBondContact N-O 2.94Å; Y190-P192 HydrophobicContact CE1-CG 4.38Å; Y190-P192 HydrophobicContact CE2-CB 4.31Å; Y190-Y208 WeakPolarHBondContact CE2-O 3.27Å; Y190-S209 VanDerWaalsContact CD2-C 3.49Å; Y190-L210 HydrophobicContact CD1-CB 3.98Å; Y190-L210 HydrophobicContact CD1-CD1 4.11Å; Y190-L210 HydrophobicContact CE1-CB 3.87Å; Y190-L213 VanDerWaalsContact N-CD1 3.31Å
191	D	97.6	Very high	96.6	Very high	17 Å²	17	63 Å²	63	9%	0.091	34%	0.338	C	S	.	.			trans	-147.2	113.3	169.1	-163.7	-48.1	0	0	0	108.7	G168 L169 F189 Y193 L194 R206	G168-D191 WeakPolarHBondContact CA-OD2 3.35Å; L169-D191 HydrophobicContact CB-CB 4.45Å; L169-D191 PolarHBondContact N-OD2 3.13Å; F189-D191 HydrophobicContact CD2-CB 4.05Å; F189-D191 HydrophobicContact CE2-CB 4.17Å; D191-Y193 PolarHBondContact OD1-N 2.94Å; D191-L194 HydrophobicContact CB-CB 4.38Å; D191-L194 HydrophobicContact CB-CD1 3.89Å; D191-L194 HydrophobicContact CB-CG 4.11Å; D191-L194 PolarHBondContact OD1-N 2.86Å; D191-R206 PolarHBondContact O-NH2 2.96Å
192	P	96	Very high	96.5	Very high	70 Å²	70	61.3 Å²	61.3	46%	0.455	33%	0.331	S	S	.	.	S	Bend	trans	-83.6	-9.1	-177.4	34.1	-35.3	0	0	0	113.5	Y190	Y190-P192 HydrophobicContact CE1-CG 4.38Å; Y190-P192 HydrophobicContact CE2-CB 4.31Å
193	Y	94.9	Very high	96.5	Very high	147 Å²	147	59.8 Å²	59.8	58%	0.576	32%	0.324	S	S	*	.	S	Bend	trans	-103.6	-14.2	-174.7	-53.7	-65.6	0	0	0	113.2	D191 Q229	D191-Y193 PolarHBondContact OD1-N 2.94Å; Y193-Q229 PolarHBondContact OH-OE1 3.33Å
194	L	94.7	Very high	96.4	Very high	45 Å²	45	56.3 Å²	56.3	24%	0.236	31%	0.31	C	S	.	.	S	Bend	trans	-77.5	145	175.6	-72.7	179.4	0	0	0	113.2	L169 F189 D191 I198 R206	L169-L194 HydrophobicContact CB-CD1 3.77Å; L169-L194 HydrophobicContact CD2-CD1 4.35Å; F189-L194 HydrophobicContact CE2-CD1 4.42Å; D191-L194 HydrophobicContact CB-CB 4.38Å; D191-L194 HydrophobicContact CB-CD1 3.89Å; D191-L194 HydrophobicContact CB-CG 4.11Å; D191-L194 PolarHBondContact OD1-N 2.86Å; L194-I198 HydrophobicContact CB-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CD1 4.2Å; L194-I198 HydrophobicContact CD2-CD1 3.95Å; L194-I198 HydrophobicContact CG-CD1 4.37Å; L194-R206 PolarHBondContact O-NH2 2.73Å
195	P	94.7	Very high	96.4	Very high	90 Å²	90	59 Å²	59	58%	0.584	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-72	154.7	169.4	32.7	-35.7	0	0	0	111.8	I198	P195-I198 HydrophobicContact CG-CD1 4.22Å
196	D	94.5	Very high	96.4	Very high	117 Å²	117	59.6 Å²	59.6	63%	0.626	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	148.9	179.8	-57.8	-7.9	0	0	0	112.6	R206	D196-R206 IonicContact OD1-CZ 2.78Å; D196-R206 IonicContact OD1-NH1 2.73Å; D196-R206 PolarHBondContact OD1-NH1 3.08Å
197	G	94.4	Very high	96.4	Very high	23 Å²	23	56.2 Å²	56.2	24%	0.237	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.2	-21.3	175.5	0	0	0	0	0	114.3	E199 R200 S201	G197-E199 WeakPolarHBondContact CA-OE1 3.25Å; G197-E199 WeakPolarHBondContact CA-OE2 3.21Å; G197-E199 PolarHBondContact N-OE1 3.05Å; G197-E199 PolarHBondContact N-OE2 2.67Å; G197-E199 PolarHBondContact O-N 2.63Å; G197-R200 WeakPolarHBondContact O-CB 3.31Å; G197-R200 PolarHBondContact O-N 3.3Å; G197-S201 PolarHBondContact O-N 3.45Å
198	I	94.5	Very high	96.3	Very high	52 Å²	52	63.1 Å²	63.1	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-35.3	177.8	-64.9	175.1	0	0	0	110.9	L169 L194 P195 R200 S201 L202	L169-I198 HydrophobicContact CD2-CG2 3.9Å; L194-I198 HydrophobicContact CB-CD1 4.24Å; L194-I198 HydrophobicContact CD1-CD1 4.2Å; L194-I198 HydrophobicContact CD2-CD1 3.95Å; L194-I198 HydrophobicContact CG-CD1 4.37Å; P195-I198 HydrophobicContact CG-CD1 4.22Å; I198-R200 PolarHBondContact O-N 3.29Å; I198-S201 PolarHBondContact O-N 2.71Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 PolarHBondContact O-N 2.97Å
199	E	95.2	Very high	96.3	Very high	20 Å²	20	65 Å²	65	9%	0.093	34%	0.342	C	S	.	.	H	α-helix	trans	-57.9	-35.6	176.5	73.8	-70.4	159.9	0	0	112.7	F189 G197 G203 I204 R206	F189-E199 HydrophobicContact CE1-CB 3.69Å; F189-E199 HydrophobicContact CZ-CB 4.03Å; G197-E199 WeakPolarHBondContact CA-OE1 3.25Å; G197-E199 WeakPolarHBondContact CA-OE2 3.21Å; G197-E199 PolarHBondContact N-OE1 3.05Å; G197-E199 PolarHBondContact N-OE2 2.67Å; G197-E199 PolarHBondContact O-N 2.63Å; E199-G203 PolarHBondContact O-N 2.78Å; E199-I204 PolarHBondContact O-N 3.11Å; E199-I204 VanDerWaalsContact O-N 3.09Å; E199-R206 HydrophobicContact CB-CB 3.96Å; E199-R206 HydrophobicContact CG-CB 4.22Å
200	R	95.3	Very high	96.2	Very high	204 Å²	204	66.3 Å²	66.3	77%	0.77	35%	0.349	S	S	*	.	H	α-helix	trans	-77	-37.3	-179.1	-49.1	180	-165.6	-159.6	0.2	111.8	G197 I198 L202	G197-R200 WeakPolarHBondContact O-CB 3.31Å; G197-R200 PolarHBondContact O-N 3.3Å; I198-R200 PolarHBondContact O-N 3.29Å; R200-L202 VanDerWaalsContact C-N 3.27Å; R200-L202 PolarHBondContact O-N 2.85Å
201	S	95.5	Very high	96.2	Very high	107 Å²	107	69.3 Å²	69.3	75%	0.748	37%	0.365	S	S	*	.	H	α-helix	trans	-67.2	-27.5	177.4	-60.6	0	0	0	0	112.9	G197 I198	G197-S201 PolarHBondContact O-N 3.45Å; I198-S201 PolarHBondContact O-N 2.71Å
202	L	96.1	Very high	96.2	Very high	33 Å²	33	72.2 Å²	72.2	17%	0.173	38%	0.38	C	S	.	.	H	α-helix	trans	-101.4	-11.9	-179.4	-64.8	172.4	0	0	0	113.9	L169 T174 L178 Q181 I198 R200 I204	L169-L202 HydrophobicContact CD2-CD1 3.87Å; T174-L202 HydrophobicContact CG2-CD1 3.92Å; T174-L202 HydrophobicContact CG2-CD2 3.89Å; L178-L202 HydrophobicContact CD2-CD2 4.09Å; L178-L202 HydrophobicContact CG-CD2 4.43Å; Q181-L202 PolarHBondContact NE2-O 3.06Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 PolarHBondContact O-N 2.97Å; R200-L202 VanDerWaalsContact C-N 3.27Å; R200-L202 PolarHBondContact O-N 2.85Å; L202-I204 HydrophobicContact CB-CD1 4.04Å; L202-I204 HydrophobicContact CB-CG1 3.99Å; L202-I204 HydrophobicContact CB-CG2 4.44Å; L202-I204 HydrophobicContact CD1-CD1 3.96Å
203	G	96.7	Very high	96.3	Very high	58 Å²	58	68.9 Å²	68.9	60%	0.598	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	42	-177	0	0	0	0	0	113	Q181 E199	Q181-G203 PolarHBondContact NE2-O 3.43Å; E199-G203 PolarHBondContact O-N 2.78Å
204	I	97.3	Very high	96.4	Very high	18 Å²	18	61.9 Å²	61.9	9%	0.092	33%	0.331	C	S	.	.			trans	-128.1	164.5	-179.8	64.3	-179.6	0	0	0	110.6	L169 A177 Q181 V187 F189 E199 L202	L169-I204 HydrophobicContact CD1-CD1 3.83Å; L169-I204 HydrophobicContact CD2-CD1 3.81Å; L169-I204 HydrophobicContact CG-CD1 4.5Å; A177-I204 HydrophobicContact CB-CD1 4.36Å; Q181-I204 VanDerWaalsContact NE2-CG2 3.34Å; V187-I204 HydrophobicContact CB-CB 4.38Å; V187-I204 HydrophobicContact CB-CG2 3.86Å; V187-I204 HydrophobicContact CG1-CB 4.33Å; V187-I204 HydrophobicContact CG1-CG2 3.94Å; F189-I204 HydrophobicContact CD1-CD1 3.54Å; F189-I204 HydrophobicContact CD1-CG1 3.88Å; F189-I204 HydrophobicContact CE1-CD1 3.78Å; F189-I204 HydrophobicContact CE1-CG1 3.86Å; F189-I204 HydrophobicContact CG-CD1 4.47Å; E199-I204 PolarHBondContact O-N 3.11Å; E199-I204 VanDerWaalsContact O-N 3.09Å; L202-I204 HydrophobicContact CB-CD1 4.04Å; L202-I204 HydrophobicContact CB-CG1 3.99Å; L202-I204 HydrophobicContact CB-CG2 4.44Å; L202-I204 HydrophobicContact CD1-CD1 3.96Å
205	E	97.4	Very high	96.6	Very high	84 Å²	84	67.1 Å²	67.1	39%	0.393	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.1	-179	177.5	169.9	-155.5	0	0	111.7	H186 V187 T188 F189	H186-E205 IonicContact CD2-OE2 3.42Å; H186-E205 IonicContact CE1-OE2 2.76Å; H186-E205 PolarHBondContact CE1-OE2 2.92Å; H186-E205 IonicContact NE2-OE2 3.19Å; H186-E205 PolarHBondContact NE2-OE2 2.89Å; V187-E205 PolarHBondContact O-N 3.3Å; V187-E205 VanDerWaalsContact O-N 3.08Å; T188-E205 CarbonylContact C-O 3.57Å; T188-E205 VanDerWaalsContact CA-O 3.23Å; T188-E205 WeakPolarHBondContact CA-O 3.42Å; T188-E205 HydrophobicContact CG2-CB 4.12Å; T188-E205 HydrophobicContact CG2-CG 4.42Å; F189-E205 VanDerWaalsContact CD1-O 3.22Å; F189-E205 WeakPolarHBondContact CD1-O 3.27Å; F189-E205 PolarHBondContact N-O 3.33Å
206	R	98.1	Very high	96.6	Very high	25 Å²	25	64.7 Å²	64.7	9%	0.094	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132	173.5	-171.3	177.1	-171.5	-169.2	0.8	110.4	F189 D191 L194 D196 E199 Y208	F189-R206 HydrophobicContact CD1-CB 4.25Å; F189-R206 HydrophobicContact CD2-CG 4.32Å; F189-R206 HydrophobicContact CE1-CB 3.59Å; F189-R206 HydrophobicContact CE1-CG 3.96Å; F189-R206 HydrophobicContact CE2-CB 4.29Å; F189-R206 HydrophobicContact CE2-CG 3.7Å; F189-R206 HydrophobicContact CZ-CB 3.63Å; F189-R206 HydrophobicContact CZ-CG 3.51Å; D191-R206 PolarHBondContact O-NH2 2.96Å; L194-R206 PolarHBondContact O-NH2 2.73Å; D196-R206 IonicContact OD1-CZ 2.78Å; D196-R206 IonicContact OD1-NH1 2.73Å; D196-R206 PolarHBondContact OD1-NH1 3.08Å; E199-R206 HydrophobicContact CB-CB 3.96Å; E199-R206 HydrophobicContact CG-CB 4.22Å; R206-Y208 HydrophobicContact CG-CE1 4.49Å
207	V	97.6	Very high	96.8	Very high	14 Å²	14	59.1 Å²	59.1	9%	0.085	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	149.8	166.4	-68.2	0	0	0	0	110.7	F189 D212 L213 Q216	F189-V207 WeakPolarHBondContact O-CG2 3.3Å; F189-V207 PolarHBondContact O-N 2.87Å; V207-D212 HydrophobicContact CB-CB 4.09Å; V207-D212 HydrophobicContact CG1-CB 4.25Å; V207-D212 HydrophobicContact CG2-CB 4.47Å; V207-L213 HydrophobicContact CG2-CB 3.75Å; V207-L213 HydrophobicContact CG2-CD1 4.35Å; V207-L213 HydrophobicContact CG2-CG 4.5Å; V207-Q216 VanDerWaalsContact CG1-NE2 3.32Å
208	Y	96.8	Very high	97	Very high	151 Å²	151	59.9 Å²	59.9	59%	0.592	30%	0.302	S	S	*	.	S	Bend	trans	-102.1	-1.5	-169.5	-63.2	-86.4	0	0	0	113.7	Y190 R206	Y190-Y208 WeakPolarHBondContact CE2-O 3.27Å; R206-Y208 HydrophobicContact CG-CE1 4.49Å
209	S	97.3	Very high	97.2	Very high	38 Å²	38	57.4 Å²	57.4	27%	0.266	29%	0.289	S	S	.	.	S	Bend	trans	-130.4	153	167.6	88.9	0	0	0	0	111.7	Y190 Q211 D212	Y190-S209 VanDerWaalsContact CD2-C 3.49Å; S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 PolarHBondContact OG-N 3.29Å; S209-D212 WeakPolarHBondContact CB-OD2 3.23Å; S209-D212 PolarHBondContact OG-N 3.5Å; S209-D212 VanDerWaalsContact OG-N 3.1Å; S209-D212 PolarHBondContact OG-OD2 3.47Å
210	L	97.3	Very high	97.4	Very high	29 Å²	29	56.4 Å²	56.4	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-34.2	171.3	-179.4	60.8	0	0	0	111.3	V167 Y190 D212 L213 L214 M233 T238	V167-L210 HydrophobicContact CG1-CD1 4.31Å; V167-L210 HydrophobicContact CG2-CD1 3.85Å; Y190-L210 HydrophobicContact CD1-CB 3.98Å; Y190-L210 HydrophobicContact CD1-CD1 4.11Å; Y190-L210 HydrophobicContact CE1-CB 3.87Å; L210-D212 PolarHBondContact O-N 2.76Å; L210-L213 PolarHBondContact O-N 3.21Å; L210-L214 HydrophobicContact CD1-CD1 4.23Å; L210-L214 HydrophobicContact CD1-CD2 4.35Å; L210-L214 HydrophobicContact CD1-CG 4.11Å; L210-L214 HydrophobicContact CD2-CD1 4.47Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.23Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 2.92Å; L210-M233 HydrophobicContact CD2-CB 4.5Å; L210-T238 HydrophobicContact CD2-CG2 4.49Å
211	Q	97.5	Very high	97.5	Very high	114 Å²	114	46.7 Å²	46.7	53%	0.533	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-45.1	180	171.2	170.3	-12	0	0	112	S209 L213 L214 F215 L241	S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 PolarHBondContact OG-N 3.29Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 2.73Å; Q211-L214 PolarHBondContact O-N 3.24Å; Q211-F215 WeakPolarHBondContact O-CB 3.37Å; Q211-F215 PolarHBondContact O-N 3.32Å; Q211-L241 HydrophobicContact CB-CD1 4.15Å; Q211-L241 HydrophobicContact CG-CD1 4.06Å
212	D	97.6	Very high	97.7	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-43	178.7	-57.4	-50	0	0	0	110.9	V207 S209 L210 F215 Q216	V207-D212 HydrophobicContact CB-CB 4.09Å; V207-D212 HydrophobicContact CG1-CB 4.25Å; V207-D212 HydrophobicContact CG2-CB 4.47Å; S209-D212 WeakPolarHBondContact CB-OD2 3.23Å; S209-D212 PolarHBondContact OG-N 3.5Å; S209-D212 VanDerWaalsContact OG-N 3.1Å; S209-D212 PolarHBondContact OG-OD2 3.47Å; L210-D212 PolarHBondContact O-N 2.76Å; D212-F215 PolarHBondContact O-N 2.93Å; D212-Q216 VanDerWaalsContact O-CG 3.27Å; D212-Q216 WeakPolarHBondContact O-CG 3.4Å; D212-Q216 PolarHBondContact O-N 3.29Å
213	L	98.4	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-50.5	176.5	-173.7	143.6	0	0	0	111.7	I166 V167 Y190 V207 L210 Q211 F215 Q216 S217 V220	I166-L213 WeakPolarHBondContact O-CD1 3.04Å; V167-L213 HydrophobicContact CG2-CD1 4.25Å; V167-L213 HydrophobicContact CG2-CD2 3.81Å; Y190-L213 VanDerWaalsContact N-CD1 3.31Å; V207-L213 HydrophobicContact CG2-CB 3.75Å; V207-L213 HydrophobicContact CG2-CD1 4.35Å; V207-L213 HydrophobicContact CG2-CG 4.5Å; L210-L213 PolarHBondContact O-N 3.21Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 2.73Å; L213-F215 VanDerWaalsContact C-N 3.31Å; L213-F215 PolarHBondContact O-N 3.15Å; L213-Q216 PolarHBondContact O-N 3.45Å; L213-S217 WeakPolarHBondContact O-CB 3.44Å; L213-S217 PolarHBondContact O-N 3.24Å; L213-S217 VanDerWaalsContact O-N 3.07Å; L213-S217 PolarHBondContact O-OG 3.49Å; L213-V220 HydrophobicContact CD2-CG1 4.13Å; L213-V220 HydrophobicContact CD2-CG2 4.17Å
214	L	98.3	Very high	97.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-177.6	-63	175.9	0	0	0	111.6	L210 Q211 V220 I234 T238 L241 M242 R243	L210-L214 HydrophobicContact CD1-CD1 4.23Å; L210-L214 HydrophobicContact CD1-CD2 4.35Å; L210-L214 HydrophobicContact CD1-CG 4.11Å; L210-L214 HydrophobicContact CD2-CD1 4.47Å; L210-L214 HydrophobicContact CG-CD1 3.92Å; L210-L214 HydrophobicContact CG-CG 4.23Å; L210-L214 VanDerWaalsContact O-CG 3.3Å; L210-L214 WeakPolarHBondContact O-CG 3.21Å; L210-L214 PolarHBondContact O-N 2.92Å; Q211-L214 PolarHBondContact O-N 3.24Å; L214-V220 HydrophobicContact CD2-CG1 4.02Å; L214-V220 HydrophobicContact CD2-CG2 3.95Å; L214-I234 HydrophobicContact CD1-CD1 4.44Å; L214-I234 HydrophobicContact CD2-CD1 4.13Å; L214-T238 HydrophobicContact CD1-CG2 4.39Å; L214-L241 CarbonylContact C-O 3.57Å; L214-L241 HydrophobicContact CB-CB 4.27Å; L214-L241 HydrophobicContact CD1-CB 4.49Å; L214-M242 HydrophobicContact CB-CG 4.14Å; L214-M242 HydrophobicContact CD2-CG 3.94Å; L214-M242 HydrophobicContact CG-CG 4.42Å; L214-M242 WeakPolarHBondContact O-CA 3.24Å; L214-R243 PolarHBondContact O-N 2.91Å
215	F	97.3	Very high	97.7	Very high	155 Å²	155	41.8 Å²	41.8	68%	0.68	21%	0.206	S	C	*	.	H	α-helix	trans	-69.8	-33.8	179	-175.2	-102.4	0	0	0	113.4	Q211 D212 L213 L241 R243	Q211-F215 WeakPolarHBondContact O-CB 3.37Å; Q211-F215 PolarHBondContact O-N 3.32Å; D212-F215 PolarHBondContact O-N 2.93Å; L213-F215 VanDerWaalsContact C-N 3.31Å; L213-F215 PolarHBondContact O-N 3.15Å; F215-L241 WeakPolarHBondContact CA-O 3.46Å; F215-L241 PolarHBondContact N-O 3.08Å; F215-R243 WeakPolarHBondContact O-CG 3.16Å; F215-R243 PolarHBondContact O-NE 3.38Å
216	Q	96.6	Very high	97.6	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-93.1	-13.3	-178	78.2	-170.5	8.8	0	0	115.1	T163 T188 V207 D212 L213 R243	T163-Q216 VanDerWaalsContact CB-O 3.23Å; T163-Q216 WeakPolarHBondContact CB-O 3.3Å; T163-Q216 HydrophobicContact CG2-CG 4.3Å; T163-Q216 WeakPolarHBondContact CG2-O 3.37Å; T163-Q216 PolarHBondContact OG1-O 3.15Å; T188-Q216 PolarHBondContact OG1-NE2 2.95Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.13Å; V207-Q216 VanDerWaalsContact CG1-NE2 3.32Å; D212-Q216 VanDerWaalsContact O-CG 3.27Å; D212-Q216 WeakPolarHBondContact O-CG 3.4Å; D212-Q216 PolarHBondContact O-N 3.29Å; L213-Q216 PolarHBondContact O-N 3.45Å; Q216-R243 PolarHBondContact O-NE 2.94Å; Q216-R243 PolarHBondContact O-NH1 3.35Å; Q216-R243 PolarHBondContact O-NH2 3.38Å; Q216-R243 VanDerWaalsContact O-NH2 3.1Å
217	S	98.3	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.			trans	-93.5	130.8	-172.2	-59	0	0	0	0	113.4	G165 L213 R243	G165-S217 WeakPolarHBondContact CA-OG 3.17Å; G165-S217 PolarHBondContact N-OG 2.91Å; L213-S217 WeakPolarHBondContact O-CB 3.44Å; L213-S217 PolarHBondContact O-N 3.24Å; L213-S217 VanDerWaalsContact O-N 3.07Å; L213-S217 PolarHBondContact O-OG 3.49Å; S217-R243 WeakPolarHBondContact O-CD 3.42Å; S217-R243 WeakPolarHBondContact O-CG 3.49Å
218	D	98.2	Very high	96.9	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.203	25%	0.246	C	C	.	.	S	Bend	trans	-85	-22	170.2	-54.4	-62.7	0	0	0	111.1	D162 T163 R243 A246 F247	D162-D218 HydrophobicContact CB-CB 4.18Å; T163-D218 PolarHBondContact N-OD2 3.4Å; T163-D218 PolarHBondContact O-N 3.09Å; D218-R243 WeakPolarHBondContact OD1-CD 3.44Å; D218-R243 IonicContact OD1-CZ 3.43Å; D218-R243 IonicContact OD1-NE 3.29Å; D218-R243 IonicContact OD1-NH1 2.71Å; D218-R243 PolarHBondContact OD1-NH1 2.86Å; D218-R243 IonicContact OD2-NH1 2.69Å; D218-R243 PolarHBondContact OD2-NH1 2.9Å; D218-A246 CarbonylContact O-C 3.57Å; D218-A246 VanDerWaalsContact O-CA 3.26Å; D218-A246 WeakPolarHBondContact O-CA 3.22Å; D218-A246 WeakPolarHBondContact O-CB 3.2Å; D218-F247 PolarHBondContact O-N 3.41Å
219	C	98.5	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.8	175.8	-175.9	0	0	0	0	109.5	Y127 T163 L164 G165 F247 I249	Y127-C219 HydrophobicContact CE2-CB 3.89Å; T163-C219 PolarHBondContact O-N 2.93Å; T163-C219 VanDerWaalsContact O-N 3.09Å; L164-C219 CarbonylContact C-O 3.37Å; L164-C219 WeakPolarHBondContact CA-O 3.33Å; L164-C219 HydrophobicContact CD1-CB 3.97Å; G165-C219 PolarHBondContact N-O 2.75Å; C219-F247 HydrophobicContact CB-CB 4.22Å; C219-F247 HydrophobicContact CB-CD2 4.49Å; C219-I249 WeakPolarHBondContact SG-CD1 3.43Å
220	V	98.8	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.7	178.3	177.5	0	0	0	0	109.7	G165 V167 L213 L214 L222 M242 F247 L248 I249	G165-V220 WeakPolarHBondContact O-CA 3.17Å; V167-V220 HydrophobicContact CG2-CG1 4.21Å; L213-V220 HydrophobicContact CD2-CG1 4.13Å; L213-V220 HydrophobicContact CD2-CG2 4.17Å; L214-V220 HydrophobicContact CD2-CG1 4.02Å; L214-V220 HydrophobicContact CD2-CG2 3.95Å; V220-L222 HydrophobicContact CG1-CD2 4.27Å; V220-M242 HydrophobicContact CB-CE 4.14Å; V220-M242 HydrophobicContact CG2-CE 3.94Å; V220-F247 PolarHBondContact N-O 2.9Å; V220-L248 HydrophobicContact CB-CD1 4.09Å; V220-L248 HydrophobicContact CG1-CD1 4.03Å; V220-L248 CarbonylContact O-C 3.59Å; V220-L248 WeakPolarHBondContact O-CA 3.38Å; V220-I249 PolarHBondContact O-N 3.41Å
221	T	98.8	Very high	96.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.6	177.6	-172	0	0	0	0	111.8	T119 L164 G165 I166 V167 V176 H223 I249	T119-T221 WeakPolarHBondContact CG2-OG1 3.46Å; L164-T221 HydrophobicContact CD1-CG2 3.96Å; L164-T221 HydrophobicContact CG-CG2 4.44Å; G165-T221 PolarHBondContact O-N 3.34Å; I166-T221 HydrophobicContact CB-CG2 4.46Å; I166-T221 HydrophobicContact CG1-CG2 3.75Å; V167-T221 PolarHBondContact N-O 2.55Å; V176-T221 HydrophobicContact CG1-CG2 4.38Å; T221-H223 WeakPolarHBondContact CG2-NE2 3.35Å; T221-H223 PolarHBondContact OG1-CE1 3.4Å; T221-H223 PolarHBondContact OG1-NE2 2.81Å; T221-I249 WeakPolarHBondContact CA-O 3.4Å
222	L	98.7	Very high	96.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.6	-174.4	-52.1	-175.5	0	0	0	111.5	V167 V220 M233 I234 I249 N250 A252 L256 I257	V167-L222 HydrophobicContact CB-CD2 3.76Å; V167-L222 HydrophobicContact CG1-CD2 4.31Å; V167-L222 HydrophobicContact CG2-CD2 3.86Å; V220-L222 HydrophobicContact CG1-CD2 4.27Å; L222-M233 HydrophobicContact CD2-SD 4.26Å; L222-I234 HydrophobicContact CD1-CG1 4Å; L222-I234 HydrophobicContact CD2-CD1 4.42Å; L222-I234 HydrophobicContact CD2-CG1 4.13Å; L222-I249 PolarHBondContact N-O 3.12Å; L222-N250 HydrophobicContact CD1-CB 4.28Å; L222-A252 VanDerWaalsContact O-CB 3.3Å; L222-A252 WeakPolarHBondContact O-CB 3.17Å; L222-L256 HydrophobicContact CB-CD1 4.27Å; L222-L256 HydrophobicContact CD1-CB 3.96Å; L222-L256 HydrophobicContact CD1-CD1 4.35Å; L222-I257 HydrophobicContact CD1-CD1 3.9Å; L222-I257 HydrophobicContact CD1-CG1 3.71Å
223	H	98.3	Very high	96.6	Very high	22 Å²	22	49 Å²	49	10%	0.102	24%	0.235	C	C	.	.			trans	-135.9	14.6	-179	-59.6	-45.7	0	0	0	113.8	T119 V167 G168 T221 T251	T119-H223 PolarHBondContact OG1-CE1 3.12Å; V167-H223 CarbonylContact O-C 3.57Å; V167-H223 PolarHBondContact O-N 3.26Å; G168-H223 WeakPolarHBondContact O-CB 3.49Å; T221-H223 WeakPolarHBondContact CG2-NE2 3.35Å; T221-H223 PolarHBondContact OG1-CE1 3.4Å; T221-H223 PolarHBondContact OG1-NE2 2.81Å; H223-T251 PolarHBondContact CE1-OG1 3.49Å
224	C	96.6	Very high	96.6	Very high	25 Å²	25	49 Å²	49	17%	0.169	24%	0.235	C	C	.	.	S	Bend	trans	-84.7	157.4	171.2	55.7	0	0	0	0	112.1	V167 M233 A252	V167-C224 PolarHBondContact O-N 3Å; V167-C224 VanDerWaalsContact O-N 3.08Å; C224-M233 WeakPolarHBondContact SG-CE 3.46Å; C224-A252 WeakPolarHBondContact O-CB 3.36Å
225	S	94.6	Very high	96.6	Very high	66 Å²	66	51 Å²	51	46%	0.462	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-75.6	146.8	170.1	45.6	0	0	0	0	111.4	N227 N230	S225-N227 PolarHBondContact O-ND2 2.84Å; S225-N230 PolarHBondContact O-ND2 3.44Å
226	L	95	Very high	96.6	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.225	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70.5	136.6	169.4	-177.6	62.4	0	0	0	110.2	D90 R231 R253 L256	D90-L226 HydrophobicContact CB-CB 4.3Å; L226-R231 HydrophobicContact CD1-CB 4.17Å; L226-R231 HydrophobicContact CD1-CG 4.46Å; L226-R253 HydrophobicContact CB-CB 3.8Å; L226-R253 HydrophobicContact CB-CG 3.78Å; L226-R253 HydrophobicContact CD2-CB 4.28Å; L226-L256 HydrophobicContact CB-CD2 4.43Å; L226-L256 HydrophobicContact CD1-CD2 3.94Å; L226-L256 HydrophobicContact CD1-CG 4.41Å
227	N	91.3	Very high	96.6	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.273	26%	0.259	S	S	.	.			trans	-153.6	175	175.6	63.5	69.1	0	0	0	110.5	S225 Q229 N230 R231	S225-N227 PolarHBondContact O-ND2 2.84Å; N227-Q229 PolarHBondContact O-N 3.08Å; N227-Q229 VanDerWaalsContact O-N 3.15Å; N227-Q229 WeakPolarHBondContact OD1-CA 3.24Å; N227-Q229 WeakPolarHBondContact OD1-CB 3.37Å; N227-Q229 PolarHBondContact OD1-N 3.32Å; N227-N230 PolarHBondContact N-OD1 2.94Å; N227-N230 PolarHBondContact ND2-ND2 3.19Å; N227-N230 VanDerWaalsContact ND2-ND2 3.19Å; N227-N230 PolarHBondContact O-N 3.33Å; N227-N230 PolarHBondContact O-OD1 2.99Å; N227-N230 PolarHBondContact OD1-N 3.49Å; N227-R231 PolarHBondContact O-N 3.26Å
228	E	89.6	Confident	96.6	Very high	196 Å²	196	54.2 Å²	54.2	92%	0.916	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.1	-177.7	-61.3	179.7	172.9	0	0	114
229	Q	93.5	Very high	96.6	Very high	156 Å²	156	52.5 Å²	52.5	73%	0.729	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-16.1	-173.5	-57.5	179.6	-5.9	0	0	113.4	Y193 N227	Y193-Q229 PolarHBondContact OH-OE1 3.33Å; N227-Q229 PolarHBondContact O-N 3.08Å; N227-Q229 VanDerWaalsContact O-N 3.15Å; N227-Q229 WeakPolarHBondContact OD1-CA 3.24Å; N227-Q229 WeakPolarHBondContact OD1-CB 3.37Å; N227-Q229 PolarHBondContact OD1-N 3.32Å
230	N	96.4	Very high	96.6	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.08	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	8.5	-171.9	78	-2.6	0	0	0	115.4	S225 N227 H232 M233	S225-N230 PolarHBondContact O-ND2 3.44Å; N227-N230 PolarHBondContact N-OD1 2.94Å; N227-N230 PolarHBondContact ND2-ND2 3.19Å; N227-N230 VanDerWaalsContact ND2-ND2 3.19Å; N227-N230 PolarHBondContact O-N 3.33Å; N227-N230 PolarHBondContact O-OD1 2.99Å; N227-N230 PolarHBondContact OD1-N 3.49Å; N230-H232 PolarHBondContact O-N 3.31Å; N230-M233 HydrophobicContact CB-CB 4.42Å; N230-M233 HydrophobicContact CB-CE 3.72Å; N230-M233 WeakPolarHBondContact O-CB 3.42Å; N230-M233 WeakPolarHBondContact O-CG 3.36Å; N230-M233 PolarHBondContact O-N 3.41Å; N230-M233 VanDerWaalsContact O-N 3.08Å
231	R	96.3	Very high	96.5	Very high	147 Å²	147	59.5 Å²	59.5	56%	0.555	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	127.6	168.6	-170.8	177	-173	-68.7	-15.2	109.6	L226 N227 M233 G255 E280	L226-R231 HydrophobicContact CD1-CB 4.17Å; L226-R231 HydrophobicContact CD1-CG 4.46Å; N227-R231 PolarHBondContact O-N 3.26Å; R231-M233 VanDerWaalsContact C-N 3.29Å; R231-M233 PolarHBondContact O-N 2.88Å; R231-G255 CarbonylContact C-O 3.58Å; R231-G255 WeakPolarHBondContact CA-O 3.18Å; R231-E280 IonicContact NH2-OE2 2.73Å; R231-E280 PolarHBondContact NH2-OE2 3.19Å
232	H	97.7	Very high	96.4	Very high	48 Å²	48	59.9 Å²	59.9	22%	0.222	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.1	-174.6	-63.8	-156.4	0	0	0	113	N230 I234 N235 G255 L256 D258 E280	N230-H232 PolarHBondContact O-N 3.31Å; H232-I234 PolarHBondContact O-N 3Å; H232-N235 WeakPolarHBondContact O-CB 3.48Å; H232-N235 PolarHBondContact O-ND2 2.88Å; H232-G255 PolarHBondContact N-O 3.25Å; H232-L256 CarbonylContact C-O 3.57Å; H232-D258 HydrophobicContact CB-CB 4.48Å; H232-D258 IonicContact ND1-OD2 2.76Å; H232-E280 IonicContact CD2-OE2 2.88Å; H232-E280 IonicContact CE1-OE1 3.99Å; H232-E280 PolarHBondContact CE1-OE1 2.85Å; H232-E280 VanDerWaalsContact CE1-OE1 3.3Å; H232-E280 IonicContact CE1-OE2 3.52Å; H232-E280 PolarHBondContact CE1-OE2 2.83Å; H232-E280 VanDerWaalsContact NE2-CG 3.32Å; H232-E280 WeakPolarHBondContact NE2-CG 3.45Å; H232-E280 IonicContact NE2-OE1 2.88Å; H232-E280 PolarHBondContact NE2-OE1 3.44Å; H232-E280 CovalentContact NE2-OE2 1.79Å; H232-E280 IonicContact NE2-OE2 3.47Å; H232-E280 PolarHBondContact NE2-OE2 3.37Å
233	M	97.6	Very high	96.4	Very high	27 Å²	27	64 Å²	64	13%	0.133	30%	0.304	C	S	.	.	S	Bend	trans	-57.6	-30.7	173.3	57.1	147.6	64.7	0	0	113.4	V167 L210 L222 C224 N230 R231 T238 L256	V167-M233 HydrophobicContact CG1-CE 3.81Å; V167-M233 HydrophobicContact CG1-SD 3.8Å; L210-M233 HydrophobicContact CD2-CB 4.5Å; L222-M233 HydrophobicContact CD2-SD 4.26Å; C224-M233 WeakPolarHBondContact SG-CE 3.46Å; N230-M233 HydrophobicContact CB-CB 4.42Å; N230-M233 HydrophobicContact CB-CE 3.72Å; N230-M233 WeakPolarHBondContact O-CB 3.42Å; N230-M233 WeakPolarHBondContact O-CG 3.36Å; N230-M233 PolarHBondContact O-N 3.41Å; N230-M233 VanDerWaalsContact O-N 3.08Å; R231-M233 VanDerWaalsContact C-N 3.29Å; R231-M233 PolarHBondContact O-N 2.88Å; M233-T238 WeakPolarHBondContact O-CB 3.37Å; M233-T238 WeakPolarHBondContact O-CG2 3.37Å; M233-T238 PolarHBondContact O-OG1 3.5Å; M233-L256 HydrophobicContact CE-CD2 4.31Å; M233-L256 HydrophobicContact CG-CB 4.14Å; M233-L256 HydrophobicContact CG-CD2 4.24Å; M233-L256 VanDerWaalsContact CG-O 3.27Å; M233-L256 WeakPolarHBondContact CG-O 3.32Å; M233-L256 PolarHBondContact N-O 3.06Å; M233-L256 HydrophobicContact SD-CD2 4.48Å
234	I	98.3	Very high	96.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-101.5	100	171.1	-55.4	-55.9	0	0	0	107.9	L214 L222 H232 T238 I239 L248 L256 I257 D258	L214-I234 HydrophobicContact CD1-CD1 4.44Å; L214-I234 HydrophobicContact CD2-CD1 4.13Å; L222-I234 HydrophobicContact CD1-CG1 4Å; L222-I234 HydrophobicContact CD2-CD1 4.42Å; L222-I234 HydrophobicContact CD2-CG1 4.13Å; H232-I234 PolarHBondContact O-N 3Å; I234-T238 WeakPolarHBondContact CA-OG1 3.15Å; I234-I239 HydrophobicContact CG2-CD1 3.96Å; I234-I239 HydrophobicContact CG2-CG1 3.6Å; I234-L248 HydrophobicContact CG2-CD2 3.98Å; I234-L256 PolarHBondContact N-O 3.04Å; I234-I257 HydrophobicContact CB-CG1 4.03Å; I234-I257 HydrophobicContact CG1-CG1 4.42Å; I234-I257 HydrophobicContact CG2-CG1 4.41Å; I234-I257 WeakPolarHBondContact O-CA 3.4Å; I234-D258 PolarHBondContact O-N 2.86Å
235	N	97.7	Very high	96.2	Very high	44 Å²	44	68.5 Å²	68.5	24%	0.235	34%	0.338	C	S	.	.	S	Bend	trans	-136.2	-179	-172.7	59.4	57.3	0	0	0	110.8	H232 H237 T238 I239 D258	H232-N235 WeakPolarHBondContact O-CB 3.48Å; H232-N235 PolarHBondContact O-ND2 2.88Å; N235-H237 PolarHBondContact O-N 2.79Å; N235-H237 WeakPolarHBondContact OD1-CA 3.45Å; N235-H237 WeakPolarHBondContact OD1-CB 3.41Å; N235-H237 PolarHBondContact OD1-N 2.88Å; N235-T238 PolarHBondContact N-OG1 3.1Å; N235-T238 PolarHBondContact O-N 3.49Å; N235-T238 PolarHBondContact O-OG1 2.57Å; N235-T238 PolarHBondContact OD1-N 3.23Å; N235-T238 VanDerWaalsContact OD1-N 3.12Å; N235-T238 PolarHBondContact OD1-OG1 2.83Å; N235-I239 VanDerWaalsContact O-CB 3.23Å; N235-I239 WeakPolarHBondContact O-CB 3.49Å; N235-I239 WeakPolarHBondContact O-CG1 3.3Å; N235-I239 PolarHBondContact O-N 3.23Å; N235-D258 HydrophobicContact CB-CB 4.33Å
236	E	97.4	Very high	96.4	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27	-176.9	-154.1	-144.5	144.5	0	0	114.2	K240 A261	E236-K240 WeakPolarHBondContact O-CD 3.17Å; E236-K240 WeakPolarHBondContact O-CE 3.21Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 2.71Å; E236-K240 PolarHBondContact OE1-NZ 3.16Å; E236-A261 HydrophobicContact CB-CB 4.08Å
237	H	97.8	Very high	96.5	Very high	123 Å²	123	63.6 Å²	63.6	57%	0.569	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-53.4	174.9	179.5	77.8	0	0	0	111.7	N235 I239 K240	N235-H237 PolarHBondContact O-N 2.79Å; N235-H237 WeakPolarHBondContact OD1-CA 3.45Å; N235-H237 WeakPolarHBondContact OD1-CB 3.41Å; N235-H237 PolarHBondContact OD1-N 2.88Å; H237-I239 VanDerWaalsContact C-N 3.32Å; H237-I239 PolarHBondContact O-N 2.89Å; H237-K240 WeakPolarHBondContact O-CB 3.38Å; H237-K240 PolarHBondContact O-N 3.23Å
238	T	97.8	Very high	96.9	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.104	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-68.7	-30.4	-176.8	48.5	0	0	0	0	112.7	L210 L214 M233 I234 N235 K240 L241 M242	L210-T238 HydrophobicContact CD2-CG2 4.49Å; L214-T238 HydrophobicContact CD1-CG2 4.39Å; M233-T238 WeakPolarHBondContact O-CB 3.37Å; M233-T238 WeakPolarHBondContact O-CG2 3.37Å; M233-T238 PolarHBondContact O-OG1 3.5Å; I234-T238 WeakPolarHBondContact CA-OG1 3.15Å; N235-T238 PolarHBondContact N-OG1 3.1Å; N235-T238 PolarHBondContact O-N 3.49Å; N235-T238 PolarHBondContact O-OG1 2.57Å; N235-T238 PolarHBondContact OD1-N 3.23Å; N235-T238 VanDerWaalsContact OD1-N 3.12Å; N235-T238 PolarHBondContact OD1-OG1 2.83Å; T238-K240 PolarHBondContact O-N 2.99Å; T238-L241 HydrophobicContact CG2-CD1 4.42Å; T238-L241 WeakPolarHBondContact O-CB 3.31Å; T238-L241 PolarHBondContact O-N 3.23Å; T238-M242 PolarHBondContact O-N 2.88Å
239	I	98.1	Very high	97.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-61.8	-27.7	170.7	-70.8	171.1	0	0	0	112.3	I234 N235 H237 L241 M242 A261 A265 R270 I271	I234-I239 HydrophobicContact CG2-CD1 3.96Å; I234-I239 HydrophobicContact CG2-CG1 3.6Å; N235-I239 VanDerWaalsContact O-CB 3.23Å; N235-I239 WeakPolarHBondContact O-CB 3.49Å; N235-I239 WeakPolarHBondContact O-CG1 3.3Å; N235-I239 PolarHBondContact O-N 3.23Å; H237-I239 VanDerWaalsContact C-N 3.32Å; H237-I239 PolarHBondContact O-N 2.89Å; I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 PolarHBondContact O-N 2.78Å; I239-M242 HydrophobicContact CG1-SD 4.4Å; I239-M242 WeakPolarHBondContact O-CB 3.35Å; I239-M242 PolarHBondContact O-N 2.79Å; I239-A261 HydrophobicContact CD1-CB 3.89Å; I239-A265 HydrophobicContact CG2-CB 3.49Å; I239-A265 VanDerWaalsContact CG2-CB 3.49Å; I239-R270 WeakPolarHBondContact O-CD 3.48Å; I239-I271 HydrophobicContact CD1-CD1 4.49Å; I239-I271 HydrophobicContact CG1-CD1 4.36Å; I239-I271 HydrophobicContact CG2-CD1 4.01Å; I239-I271 HydrophobicContact CG2-CG1 4.41Å
240	K	97.3	Very high	97.5	Very high	108 Å²	108	44.4 Å²	44.4	47%	0.47	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-77.1	-13	174.1	-67.3	165.8	-170.8	168.7	0	113.3	E236 H237 T238	E236-K240 WeakPolarHBondContact O-CD 3.17Å; E236-K240 WeakPolarHBondContact O-CE 3.21Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 2.71Å; E236-K240 PolarHBondContact OE1-NZ 3.16Å; H237-K240 WeakPolarHBondContact O-CB 3.38Å; H237-K240 PolarHBondContact O-N 3.23Å; T238-K240 PolarHBondContact O-N 2.99Å
241	L	97.2	Very high	97.6	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.209	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-87.4	-15.8	173.1	-53.6	174.1	0	0	0	112.2	Q211 L214 F215 T238 I239	Q211-L241 HydrophobicContact CB-CD1 4.15Å; Q211-L241 HydrophobicContact CG-CD1 4.06Å; L214-L241 CarbonylContact C-O 3.57Å; L214-L241 HydrophobicContact CB-CB 4.27Å; L214-L241 HydrophobicContact CD1-CB 4.49Å; F215-L241 WeakPolarHBondContact CA-O 3.46Å; F215-L241 PolarHBondContact N-O 3.08Å; T238-L241 HydrophobicContact CG2-CD1 4.42Å; T238-L241 WeakPolarHBondContact O-CB 3.31Å; T238-L241 PolarHBondContact O-N 3.23Å; I239-L241 VanDerWaalsContact C-N 3.28Å; I239-L241 PolarHBondContact O-N 2.78Å
242	M	98	Very high	97.7	Very high	7 Å²	7	38 Å²	38	3%	0.034	20%	0.195	C	C	.	.	S	Bend	trans	-68.4	149.2	176.1	-64.7	-178.5	70.9	0	0	112	L214 V220 T238 I239 A246 L248 I271	L214-M242 HydrophobicContact CB-CG 4.14Å; L214-M242 HydrophobicContact CD2-CG 3.94Å; L214-M242 HydrophobicContact CG-CG 4.42Å; L214-M242 WeakPolarHBondContact O-CA 3.24Å; V220-M242 HydrophobicContact CB-CE 4.14Å; V220-M242 HydrophobicContact CG2-CE 3.94Å; T238-M242 PolarHBondContact O-N 2.88Å; I239-M242 HydrophobicContact CG1-SD 4.4Å; I239-M242 WeakPolarHBondContact O-CB 3.35Å; I239-M242 PolarHBondContact O-N 2.79Å; M242-A246 HydrophobicContact CE-CB 4.22Å; M242-L248 HydrophobicContact CE-CB 4.35Å; M242-L248 HydrophobicContact CE-CD1 4.34Å; M242-I271 HydrophobicContact CE-CD1 4.44Å; M242-I271 HydrophobicContact CE-CG1 4.46Å; M242-I271 HydrophobicContact SD-CD1 4.06Å; M242-I271 HydrophobicContact SD-CG1 4.37Å
243	R	96.8	Very high	97.6	Very high	88 Å²	88	37.3 Å²	37.3	33%	0.332	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-57.5	136.5	173	-69.7	-170.6	169.6	178.6	1.4	111.9	L214 F215 Q216 S217 D218 G245 A246	L214-R243 PolarHBondContact O-N 2.91Å; F215-R243 WeakPolarHBondContact O-CG 3.16Å; F215-R243 PolarHBondContact O-NE 3.38Å; Q216-R243 PolarHBondContact O-NE 2.94Å; Q216-R243 PolarHBondContact O-NH1 3.35Å; Q216-R243 PolarHBondContact O-NH2 3.38Å; Q216-R243 VanDerWaalsContact O-NH2 3.1Å; S217-R243 WeakPolarHBondContact O-CD 3.42Å; S217-R243 WeakPolarHBondContact O-CG 3.49Å; D218-R243 WeakPolarHBondContact OD1-CD 3.44Å; D218-R243 IonicContact OD1-CZ 3.43Å; D218-R243 IonicContact OD1-NE 3.29Å; D218-R243 IonicContact OD1-NH1 2.71Å; D218-R243 PolarHBondContact OD1-NH1 2.86Å; D218-R243 IonicContact OD2-NH1 2.69Å; D218-R243 PolarHBondContact OD2-NH1 2.9Å; R243-G245 PolarHBondContact O-N 3Å; R243-A246 HydrophobicContact CB-CB 4.24Å; R243-A246 WeakPolarHBondContact O-CB 3.15Å; R243-A246 PolarHBondContact O-N 3.35Å
244	P	96.4	Very high	97.5	Very high	122 Å²	122	36.3 Å²	36.3	79%	0.792	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	121.1	174.3	-25.7	35	0	0	0	112.1
245	G	95.3	Very high	97.4	Very high	18 Å²	18	36.9 Å²	36.9	19%	0.186	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	22.6	-177.6	0	0	0	0	0	114.5	R243 R270 R272	R243-G245 PolarHBondContact O-N 3Å; G245-R270 PolarHBondContact N-O 3.42Å; G245-R272 VanDerWaalsContact O-CB 3.22Å; G245-R272 WeakPolarHBondContact O-CB 3.42Å; G245-R272 PolarHBondContact O-NE 2.88Å; G245-R272 PolarHBondContact O-NH2 2.88Å
246	A	97.8	Very high	97.4	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	165.9	171.1	0	0	0	0	0	113.2	D218 M242 R243 R272	D218-A246 CarbonylContact O-C 3.57Å; D218-A246 VanDerWaalsContact O-CA 3.26Å; D218-A246 WeakPolarHBondContact O-CA 3.22Å; D218-A246 WeakPolarHBondContact O-CB 3.2Å; M242-A246 HydrophobicContact CE-CB 4.22Å; R243-A246 HydrophobicContact CB-CB 4.24Å; R243-A246 WeakPolarHBondContact O-CB 3.15Å; R243-A246 PolarHBondContact O-N 3.35Å; A246-R272 PolarHBondContact O-N 2.83Å
247	F	98.4	Very high	97.5	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.3	171.1	-63.7	-70.6	0	0	0	112.1	L126 Y127 D218 C219 V220 I249 R272 A273	L126-F247 HydrophobicContact CB-CD1 3.65Å; L126-F247 HydrophobicContact CB-CE1 3.7Å; L126-F247 HydrophobicContact CB-CG 4.27Å; L126-F247 HydrophobicContact CB-CZ 4.38Å; L126-F247 HydrophobicContact CD1-CB 4.03Å; L126-F247 HydrophobicContact CD1-CD1 3.91Å; L126-F247 HydrophobicContact CD1-CG 4.29Å; L126-F247 HydrophobicContact CG-CD1 4.34Å; Y127-F247 HydrophobicContact CD1-CE2 4.07Å; Y127-F247 AromaticContact CD2-CD2 3.84Å; Y127-F247 HydrophobicContact CD2-CD2 3.84Å; Y127-F247 AromaticContact CD2-CE2 3.64Å; Y127-F247 HydrophobicContact CD2-CE2 3.64Å; Y127-F247 HydrophobicContact CD2-CZ 4.34Å; Y127-F247 HydrophobicContact CE1-CD2 4.46Å; Y127-F247 AromaticContact CE1-CE2 3.93Å; Y127-F247 HydrophobicContact CE1-CE2 3.93Å; Y127-F247 AromaticContact CE2-CD2 3.37Å; Y127-F247 HydrophobicContact CE2-CD2 3.37Å; Y127-F247 AromaticContact CE2-CE2 3.51Å; Y127-F247 HydrophobicContact CE2-CE2 3.51Å; Y127-F247 HydrophobicContact CE2-CG 4.36Å; Y127-F247 AromaticContact CG-CE2 3.92Å; Y127-F247 HydrophobicContact CG-CE2 3.92Å; Y127-F247 HydrophobicContact CG-CZ 4.42Å; Y127-F247 AromaticContact CZ-CD2 3.72Å; Y127-F247 AromaticContact CZ-CE2 3.64Å; D218-F247 PolarHBondContact O-N 3.41Å; C219-F247 HydrophobicContact CB-CB 4.22Å; C219-F247 HydrophobicContact CB-CD2 4.49Å; V220-F247 PolarHBondContact N-O 2.9Å; F247-I249 HydrophobicContact CB-CD1 4.42Å; F247-R272 HydrophobicContact CE1-CB 4.45Å; F247-R272 HydrophobicContact CE1-CG 4.13Å; F247-A273 HydrophobicContact CD1-CB 3.87Å; F247-A273 HydrophobicContact CE1-CB 3.9Å
248	L	98.6	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.2	174	-176.5	63.3	0	0	0	111.5	V220 I234 M242 I257 L262 I271 A273 A274 A275	V220-L248 HydrophobicContact CB-CD1 4.09Å; V220-L248 HydrophobicContact CG1-CD1 4.03Å; V220-L248 CarbonylContact O-C 3.59Å; V220-L248 WeakPolarHBondContact O-CA 3.38Å; I234-L248 HydrophobicContact CG2-CD2 3.98Å; M242-L248 HydrophobicContact CE-CB 4.35Å; M242-L248 HydrophobicContact CE-CD1 4.34Å; L248-I257 HydrophobicContact CD2-CD1 3.86Å; L248-I257 HydrophobicContact CG-CD1 4.33Å; L248-L262 HydrophobicContact CD2-CD1 3.95Å; L248-L262 HydrophobicContact CD2-CD2 4.43Å; L248-I271 HydrophobicContact CB-CG2 4.34Å; L248-I271 HydrophobicContact CD2-CD1 4.2Å; L248-A273 PolarHBondContact N-O 2.84Å; L248-A274 HydrophobicContact CB-CB 4.35Å; L248-A274 CarbonylContact O-C 3.48Å; L248-A274 WeakPolarHBondContact O-CA 3.49Å; L248-A275 PolarHBondContact O-N 2.89Å
249	I	98.8	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	177.1	-58.5	86.7	0	0	0	110	T119 H122 I123 L126 C219 V220 T221 L222 F247 T251 A275	T119-I249 HydrophobicContact CG2-CG2 4.27Å; H122-I249 HydrophobicContact CB-CG2 4.19Å; I123-I249 HydrophobicContact CG1-CD1 3.7Å; I123-I249 HydrophobicContact CG1-CG1 3.95Å; L126-I249 HydrophobicContact CD1-CD1 3.84Å; L126-I249 HydrophobicContact CD1-CG1 3.86Å; C219-I249 WeakPolarHBondContact SG-CD1 3.43Å; V220-I249 PolarHBondContact O-N 3.41Å; T221-I249 WeakPolarHBondContact CA-O 3.4Å; L222-I249 PolarHBondContact N-O 3.12Å; F247-I249 HydrophobicContact CB-CD1 4.42Å; I249-T251 HydrophobicContact CG2-CG2 4.13Å; I249-A275 VanDerWaalsContact CA-O 3.3Å; I249-A275 WeakPolarHBondContact CA-O 3.44Å; I249-A275 HydrophobicContact CG1-CB 4.38Å
250	N	98.6	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115.2	171.6	-171.3	2.9	0	0	0	111	L222 A252 R253 I257 A275 L276 D277 V278	L222-N250 HydrophobicContact CD1-CB 4.28Å; N250-A252 PolarHBondContact OD1-N 2.98Å; N250-R253 PolarHBondContact ND2-O 3.42Å; N250-R253 PolarHBondContact OD1-N 2.99Å; N250-I257 HydrophobicContact CB-CD1 3.68Å; N250-A275 PolarHBondContact N-O 2.98Å; N250-L276 HydrophobicContact CB-CD2 3.76Å; N250-D277 PolarHBondContact O-N 3.28Å; N250-V278 HydrophobicContact CB-CG2 4.41Å; N250-V278 WeakPolarHBondContact OD1-CG2 3.35Å
251	T	98.2	Very high	97.4	Very high	17 Å²	17	24.8 Å²	24.8	10%	0.104	15%	0.145	C	C	.	.			trans	-125.9	27	170.5	70.5	0	0	0	0	110.7	T119 H223 I249 D277 A304	T119-T251 PolarHBondContact OG1-OG1 2.86Å; H223-T251 PolarHBondContact CE1-OG1 3.49Å; I249-T251 HydrophobicContact CG2-CG2 4.13Å; T251-D277 HydrophobicContact CG2-CB 4.15Å; T251-A304 HydrophobicContact CG2-CB 4.46Å
252	A	97.2	Very high	97.4	Very high	11 Å²	11	22.9 Å²	22.9	9%	0.091	14%	0.135	C	C	.	.	S	Bend	trans	-110.2	-79	-176.2	0	0	0	0	0	111.4	L222 C224 N250 L256	L222-A252 VanDerWaalsContact O-CB 3.3Å; L222-A252 WeakPolarHBondContact O-CB 3.17Å; C224-A252 WeakPolarHBondContact O-CB 3.36Å; N250-A252 PolarHBondContact OD1-N 2.98Å; A252-L256 HydrophobicContact CB-CD1 3.75Å
253	R	96.2	Very high	97.4	Very high	33 Å²	33	22.8 Å²	22.8	13%	0.125	14%	0.135	C	C	.	.			trans	-148	140.1	175.4	-70.8	-60.9	-179.9	-112.1	15.4	111.3	D90 L226 N250 G255 L256	D90-R253 IonicContact OD1-CZ 3.81Å; D90-R253 IonicContact OD1-NE 3.21Å; D90-R253 PolarHBondContact OD1-NE 3.16Å; D90-R253 IonicContact OD1-NH2 3.69Å; D90-R253 PolarHBondContact OD1-NH2 2.94Å; D90-R253 WeakPolarHBondContact OD2-CD 3.45Å; D90-R253 IonicContact OD2-CZ 2.75Å; D90-R253 IonicContact OD2-NE 3.79Å; D90-R253 PolarHBondContact OD2-NE 2.94Å; L226-R253 HydrophobicContact CB-CB 3.8Å; L226-R253 HydrophobicContact CB-CG 3.78Å; L226-R253 HydrophobicContact CD2-CB 4.28Å; N250-R253 PolarHBondContact ND2-O 3.42Å; N250-R253 PolarHBondContact OD1-N 2.99Å; R253-G255 PolarHBondContact O-N 3.21Å; R253-L256 HydrophobicContact CB-CD1 4.3Å; R253-L256 HydrophobicContact CB-CG 4.24Å; R253-L256 WeakPolarHBondContact O-CB 3.29Å; R253-L256 WeakPolarHBondContact O-CG 3.45Å; R253-L256 PolarHBondContact O-N 3.28Å
254	G	96.2	Very high	97.5	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-54.8	-53.2	-179.4	0	0	0	0	0	113.1	L256 I257 T279	G254-L256 PolarHBondContact O-N 3.46Å; G254-I257 PolarHBondContact O-N 3.27Å; G254-T279 VanDerWaalsContact CA-C 3.5Å
255	G	96.2	Very high	97.5	Very high	11 Å²	11	14.8 Å²	14.8	11%	0.113	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-63	8.2	-179.2	0	0	0	0	0	117.4	R231 H232 R253	R231-G255 CarbonylContact C-O 3.58Å; R231-G255 WeakPolarHBondContact CA-O 3.18Å; H232-G255 PolarHBondContact N-O 3.25Å; R253-G255 PolarHBondContact O-N 3.21Å
256	L	98.1	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-78.3	-22.9	163.3	-63.4	171.5	0	0	0	112	L222 L226 H232 M233 I234 A252 R253 G254	L222-L256 HydrophobicContact CB-CD1 4.27Å; L222-L256 HydrophobicContact CD1-CB 3.96Å; L222-L256 HydrophobicContact CD1-CD1 4.35Å; L226-L256 HydrophobicContact CB-CD2 4.43Å; L226-L256 HydrophobicContact CD1-CD2 3.94Å; L226-L256 HydrophobicContact CD1-CG 4.41Å; H232-L256 CarbonylContact C-O 3.57Å; M233-L256 HydrophobicContact CE-CD2 4.31Å; M233-L256 HydrophobicContact CG-CB 4.14Å; M233-L256 HydrophobicContact CG-CD2 4.24Å; M233-L256 VanDerWaalsContact CG-O 3.27Å; M233-L256 WeakPolarHBondContact CG-O 3.32Å; M233-L256 PolarHBondContact N-O 3.06Å; M233-L256 HydrophobicContact SD-CD2 4.48Å; I234-L256 PolarHBondContact N-O 3.04Å; A252-L256 HydrophobicContact CB-CD1 3.75Å; R253-L256 HydrophobicContact CB-CD1 4.3Å; R253-L256 HydrophobicContact CB-CG 4.24Å; R253-L256 WeakPolarHBondContact O-CB 3.29Å; R253-L256 WeakPolarHBondContact O-CG 3.45Å; R253-L256 PolarHBondContact O-N 3.28Å; G254-L256 PolarHBondContact O-N 3.46Å
257	I	98.1	Very high	97.6	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-113	140.3	-179.6	-61.4	176	0	0	0	109.1	L222 I234 L248 N250 G254 L262 L276	L222-I257 HydrophobicContact CD1-CD1 3.9Å; L222-I257 HydrophobicContact CD1-CG1 3.71Å; I234-I257 HydrophobicContact CB-CG1 4.03Å; I234-I257 HydrophobicContact CG1-CG1 4.42Å; I234-I257 HydrophobicContact CG2-CG1 4.41Å; I234-I257 WeakPolarHBondContact O-CA 3.4Å; L248-I257 HydrophobicContact CD2-CD1 3.86Å; L248-I257 HydrophobicContact CG-CD1 4.33Å; N250-I257 HydrophobicContact CB-CD1 3.68Å; G254-I257 PolarHBondContact O-N 3.27Å; I257-L262 HydrophobicContact CG2-CB 3.97Å; I257-L262 HydrophobicContact CG2-CD2 3.96Å; I257-L276 HydrophobicContact CD1-CD2 3.74Å
258	D	97.8	Very high	97.5	Very high	34 Å²	34	24.8 Å²	24.8	18%	0.182	14%	0.138	C	C	.	.			trans	-81.1	110.2	161.8	178.5	-39.6	0	0	0	109	H232 I234 N235 V260 A261 L262	H232-D258 HydrophobicContact CB-CB 4.48Å; H232-D258 IonicContact ND1-OD2 2.76Å; I234-D258 PolarHBondContact O-N 2.86Å; N235-D258 HydrophobicContact CB-CB 4.33Å; D258-V260 PolarHBondContact O-N 2.83Å; D258-V260 WeakPolarHBondContact OD1-CA 3.07Å; D258-V260 WeakPolarHBondContact OD1-CB 3.3Å; D258-V260 PolarHBondContact OD1-N 3.27Å; D258-A261 HydrophobicContact CB-CB 3.95Å; D258-A261 PolarHBondContact O-N 2.66Å; D258-A261 PolarHBondContact OD1-N 2.84Å; D258-L262 PolarHBondContact O-N 3.46Å
259	E	97.2	Very high	97.4	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-29.7	-176.9	-81.3	-170.3	-155.4	0	0	113.2	A263 T279 E280 S289 A290 L291	E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.34Å; E259-A263 PolarHBondContact O-N 3.05Å; E259-T279 VanDerWaalsContact OE1-CB 3.23Å; E259-T279 WeakPolarHBondContact OE1-CB 3.33Å; E259-E280 HydrophobicContact CG-CB 4.4Å; E259-E280 HydrophobicContact CG-CG 4.18Å; E259-E280 PolarHBondContact N-OE1 3.23Å; E259-E280 PolarHBondContact OE1-N 2.88Å; E259-S289 PolarHBondContact OE2-OG 2.9Å; E259-A290 HydrophobicContact CB-CB 4.36Å; E259-L291 HydrophobicContact CB-CD2 4.31Å; E259-L291 HydrophobicContact CB-CG 4.16Å; E259-L291 HydrophobicContact CG-CD1 3.87Å; E259-L291 HydrophobicContact CG-CD2 4.42Å; E259-L291 HydrophobicContact CG-CG 4.05Å
260	V	96.9	Very high	97.2	Very high	97 Å²	97	30.3 Å²	30.3	59%	0.588	17%	0.172	S	C	*	.	H	α-helix	trans	-73.7	-44.8	-178.5	-177.6	0	0	0	0	110.1	D258 L262 A263 A264 A290	D258-V260 PolarHBondContact O-N 2.83Å; D258-V260 WeakPolarHBondContact OD1-CA 3.07Å; D258-V260 WeakPolarHBondContact OD1-CB 3.3Å; D258-V260 PolarHBondContact OD1-N 3.27Å; V260-L262 VanDerWaalsContact C-N 3.35Å; V260-A263 PolarHBondContact O-N 3.44Å; V260-A264 PolarHBondContact O-N 2.89Å; V260-A290 HydrophobicContact CG2-CB 3.9Å
261	A	97.7	Very high	97.2	Very high	10 Å²	10	30.4 Å²	30.4	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-38.7	175.4	0	0	0	0	0	111.9	E236 I239 D258 A265	E236-A261 HydrophobicContact CB-CB 4.08Å; I239-A261 HydrophobicContact CD1-CB 3.89Å; D258-A261 HydrophobicContact CB-CB 3.95Å; D258-A261 PolarHBondContact O-N 2.66Å; D258-A261 PolarHBondContact OD1-N 2.84Å; A261-A265 WeakPolarHBondContact O-CB 3.38Å; A261-A265 PolarHBondContact O-N 2.92Å
262	L	98.1	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-44.9	173.6	177.9	57.1	0	0	0	111.9	L248 I257 D258 V260 A264 A265 L266 I271 A274 L276 L291	L248-L262 HydrophobicContact CD2-CD1 3.95Å; L248-L262 HydrophobicContact CD2-CD2 4.43Å; I257-L262 HydrophobicContact CG2-CB 3.97Å; I257-L262 HydrophobicContact CG2-CD2 3.96Å; D258-L262 PolarHBondContact O-N 3.46Å; V260-L262 VanDerWaalsContact C-N 3.35Å; L262-A264 VanDerWaalsContact C-N 3.32Å; L262-A264 PolarHBondContact O-N 3.26Å; L262-A265 PolarHBondContact O-N 3.14Å; L262-L266 HydrophobicContact CD1-CD1 3.86Å; L262-L266 HydrophobicContact CD1-CG 3.97Å; L262-L266 HydrophobicContact CG-CD1 3.92Å; L262-L266 HydrophobicContact CG-CG 4.48Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.49Å; L262-I271 HydrophobicContact CD1-CD1 3.63Å; L262-A274 HydrophobicContact CD1-CB 4.24Å; L262-A274 HydrophobicContact CD2-CB 4.44Å; L262-L276 HydrophobicContact CD2-CD1 3.96Å; L262-L276 HydrophobicContact CD2-CD2 4.15Å; L262-L276 HydrophobicContact CD2-CG 4.49Å; L262-L291 HydrophobicContact CB-CD2 4.4Å; L262-L291 HydrophobicContact CD2-CD2 4.16Å; L262-L291 HydrophobicContact CG-CD2 4.19Å
263	A	97.6	Very high	97.2	Very high	5 Å²	5	33.6 Å²	33.6	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-42.8	177.4	0	0	0	0	0	112	E259 V260 K267 A290 L291	E259-A263 VanDerWaalsContact O-CB 3.31Å; E259-A263 WeakPolarHBondContact O-CB 3.34Å; E259-A263 PolarHBondContact O-N 3.05Å; V260-A263 PolarHBondContact O-N 3.44Å; A263-K267 WeakPolarHBondContact O-CB 3.48Å; A263-K267 VanDerWaalsContact O-CG 3.25Å; A263-K267 WeakPolarHBondContact O-CG 3.47Å; A263-K267 PolarHBondContact O-N 2.83Å; A263-K267 VanDerWaalsContact O-N 3.12Å; A263-A290 WeakPolarHBondContact CB-O 3.46Å; A263-L291 HydrophobicContact CB-CD2 4.26Å
264	A	97.4	Very high	97.3	Very high	40 Å²	40	32 Å²	32	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-63.4	-47.6	174.3	0	0	0	0	0	111.9	V260 L262 L266 K267 E268	V260-A264 PolarHBondContact O-N 2.89Å; L262-A264 VanDerWaalsContact C-N 3.32Å; L262-A264 PolarHBondContact O-N 3.26Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.35Å; A264-K267 PolarHBondContact O-N 3.15Å; A264-K267 VanDerWaalsContact O-N 3.14Å; A264-E268 WeakPolarHBondContact O-CB 3.47Å; A264-E268 WeakPolarHBondContact O-CG 3.42Å; A264-E268 PolarHBondContact O-N 2.73Å
265	A	98	Very high	97.4	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-29.3	-177.4	0	0	0	0	0	114.6	I239 A261 L262 G269 R270 I271	I239-A265 HydrophobicContact CG2-CB 3.49Å; I239-A265 VanDerWaalsContact CG2-CB 3.49Å; A261-A265 WeakPolarHBondContact O-CB 3.38Å; A261-A265 PolarHBondContact O-N 2.92Å; L262-A265 PolarHBondContact O-N 3.14Å; A265-G269 PolarHBondContact O-N 2.82Å; A265-R270 HydrophobicContact CB-CB 4.5Å; A265-R270 PolarHBondContact O-N 2.82Å; A265-I271 HydrophobicContact CB-CD1 4.01Å; A265-I271 HydrophobicContact CB-CG1 4.16Å; A265-I271 PolarHBondContact O-N 3.03Å; A265-I271 VanDerWaalsContact O-N 3.1Å
266	L	97.8	Very high	97.5	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-43.3	170	-72	166.6	0	0	0	111.4	L262 A264 E268 G269 I271 A274 A294 P295 L297	L262-L266 HydrophobicContact CD1-CD1 3.86Å; L262-L266 HydrophobicContact CD1-CG 3.97Å; L262-L266 HydrophobicContact CG-CD1 3.92Å; L262-L266 HydrophobicContact CG-CG 4.48Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.49Å; A264-L266 VanDerWaalsContact C-N 3.33Å; A264-L266 PolarHBondContact O-N 3.35Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.21Å; L266-G269 PolarHBondContact O-N 3.15Å; L266-G269 VanDerWaalsContact O-N 3.1Å; L266-I271 HydrophobicContact CD2-CB 4.06Å; L266-I271 HydrophobicContact CD2-CG2 3.69Å; L266-I271 HydrophobicContact CG-CG2 4.47Å; L266-A274 HydrophobicContact CD1-CB 4.23Å; L266-A274 HydrophobicContact CD2-CB 4.2Å; L266-A294 HydrophobicContact CB-CB 4.39Å; L266-A294 HydrophobicContact CD1-CB 3.89Å; L266-P295 HydrophobicContact CB-CG 4.38Å; L266-P295 WeakPolarHBondContact O-CG 3.33Å; L266-L297 HydrophobicContact CD1-CB 4.36Å; L266-L297 HydrophobicContact CD1-CD1 4.4Å
267	K	97.2	Very high	97.5	Very high	108 Å²	108	31.5 Å²	31.5	47%	0.47	17%	0.168	S	C	.	.	H	α-helix	trans	-63.4	-35.8	176.2	-73.9	170.8	177.4	179.5	0	112.4	A263 A264 G269 D293	A263-K267 WeakPolarHBondContact O-CB 3.48Å; A263-K267 VanDerWaalsContact O-CG 3.25Å; A263-K267 WeakPolarHBondContact O-CG 3.47Å; A263-K267 PolarHBondContact O-N 2.83Å; A263-K267 VanDerWaalsContact O-N 3.12Å; A264-K267 PolarHBondContact O-N 3.15Å; A264-K267 VanDerWaalsContact O-N 3.14Å; K267-G269 VanDerWaalsContact C-N 3.33Å; K267-D293 VanDerWaalsContact CE-C 3.49Å; K267-D293 WeakPolarHBondContact CE-O 3.38Å; K267-D293 IonicContact NZ-OD2 3.65Å; K267-D293 PolarHBondContact NZ-OD2 3.23Å
268	E	96.1	Very high	97.4	Very high	122 Å²	122	31.4 Å²	31.4	57%	0.57	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-10	173.6	-71.1	174.4	-151.5	0	0	114	A264 L266 R270	A264-E268 WeakPolarHBondContact O-CB 3.47Å; A264-E268 WeakPolarHBondContact O-CG 3.42Å; A264-E268 PolarHBondContact O-N 2.73Å; L266-E268 VanDerWaalsContact C-N 3.32Å; L266-E268 PolarHBondContact O-N 3.21Å; E268-R270 PolarHBondContact O-N 2.83Å; E268-R270 IonicContact OE2-CZ 2.75Å; E268-R270 IonicContact OE2-NH1 3.75Å; E268-R270 PolarHBondContact OE2-NH1 3.19Å; E268-R270 IonicContact OE2-NH2 3.23Å; E268-R270 PolarHBondContact OE2-NH2 3.06Å
269	G	95.2	Very high	97.4	Very high	44 Å²	44	30.2 Å²	30.2	45%	0.454	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	10.4	-176.4	0	0	0	0	0	115.2	A265 L266 K267 I271	A265-G269 PolarHBondContact O-N 2.82Å; L266-G269 PolarHBondContact O-N 3.15Å; L266-G269 VanDerWaalsContact O-N 3.1Å; K267-G269 VanDerWaalsContact C-N 3.33Å; G269-I271 VanDerWaalsContact C-N 3.34Å
270	R	96.5	Very high	97.2	Very high	72 Å²	72	32.4 Å²	32.4	27%	0.272	17%	0.172	S	C	.	.	S	Bend	trans	-64.6	-41.3	173.7	-176.2	-178	-62.1	91.7	11.6	110.8	I239 G245 A265 E268	I239-R270 WeakPolarHBondContact O-CD 3.48Å; G245-R270 PolarHBondContact N-O 3.42Å; A265-R270 HydrophobicContact CB-CB 4.5Å; A265-R270 PolarHBondContact O-N 2.82Å; E268-R270 PolarHBondContact O-N 2.83Å; E268-R270 IonicContact OE2-CZ 2.75Å; E268-R270 IonicContact OE2-NH1 3.75Å; E268-R270 PolarHBondContact OE2-NH1 3.19Å; E268-R270 IonicContact OE2-NH2 3.23Å; E268-R270 PolarHBondContact OE2-NH2 3.06Å
271	I	97.7	Very high	97	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.3	163.7	-64.4	174.6	0	0	0	106.6	I239 M242 L248 L262 A265 L266 G269 A273	I239-I271 HydrophobicContact CD1-CD1 4.49Å; I239-I271 HydrophobicContact CG1-CD1 4.36Å; I239-I271 HydrophobicContact CG2-CD1 4.01Å; I239-I271 HydrophobicContact CG2-CG1 4.41Å; M242-I271 HydrophobicContact CE-CD1 4.44Å; M242-I271 HydrophobicContact CE-CG1 4.46Å; M242-I271 HydrophobicContact SD-CD1 4.06Å; M242-I271 HydrophobicContact SD-CG1 4.37Å; L248-I271 HydrophobicContact CB-CG2 4.34Å; L248-I271 HydrophobicContact CD2-CD1 4.2Å; L262-I271 HydrophobicContact CD1-CD1 3.63Å; A265-I271 HydrophobicContact CB-CD1 4.01Å; A265-I271 HydrophobicContact CB-CG1 4.16Å; A265-I271 PolarHBondContact O-N 3.03Å; A265-I271 VanDerWaalsContact O-N 3.1Å; L266-I271 HydrophobicContact CD2-CB 4.06Å; L266-I271 HydrophobicContact CD2-CG2 3.69Å; L266-I271 HydrophobicContact CG-CG2 4.47Å; G269-I271 VanDerWaalsContact C-N 3.34Å; I271-A273 WeakPolarHBondContact CG2-O 3.27Å
272	R	96.7	Very high	96.7	Very high	96 Å²	96	35.6 Å²	35.6	36%	0.362	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-42	-175.9	176.9	-168.6	-57.9	-126.6	-1.9	112.1	G155 G245 A246 F247 N296	G155-R272 PolarHBondContact O-NH1 3.15Å; G245-R272 VanDerWaalsContact O-CB 3.22Å; G245-R272 WeakPolarHBondContact O-CB 3.42Å; G245-R272 PolarHBondContact O-NE 2.88Å; G245-R272 PolarHBondContact O-NH2 2.88Å; A246-R272 PolarHBondContact O-N 2.83Å; F247-R272 HydrophobicContact CE1-CB 4.45Å; F247-R272 HydrophobicContact CE1-CG 4.13Å; R272-N296 WeakPolarHBondContact O-CB 3.02Å; R272-N296 PolarHBondContact O-ND2 2.7Å
273	A	97.7	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	155.4	178.7	0	0	0	0	0	109.6	L126 W132 F247 L248 I271 N296	L126-A273 HydrophobicContact CD2-CB 3.9Å; W132-A273 HydrophobicContact CH2-CB 3.98Å; F247-A273 HydrophobicContact CD1-CB 3.87Å; F247-A273 HydrophobicContact CE1-CB 3.9Å; L248-A273 PolarHBondContact N-O 2.84Å; I271-A273 WeakPolarHBondContact CG2-O 3.27Å; A273-N296 WeakPolarHBondContact CA-O 3.43Å; A273-N296 HydrophobicContact CB-CB 3.7Å; A273-N296 VanDerWaalsContact CB-O 3.24Å; A273-N296 WeakPolarHBondContact CB-O 3.03Å
274	A	98.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.6	176.4	0	0	0	0	0	112	L248 L262 L266 N296 L297 I298	L248-A274 HydrophobicContact CB-CB 4.35Å; L248-A274 CarbonylContact O-C 3.48Å; L248-A274 WeakPolarHBondContact O-CA 3.49Å; L262-A274 HydrophobicContact CD1-CB 4.24Å; L262-A274 HydrophobicContact CD2-CB 4.44Å; L266-A274 HydrophobicContact CD1-CB 4.23Å; L266-A274 HydrophobicContact CD2-CB 4.2Å; A274-N296 PolarHBondContact N-O 3.35Å; A274-N296 VanDerWaalsContact N-O 3.09Å; A274-L297 HydrophobicContact CB-CD1 3.97Å; A274-L297 CarbonylContact O-C 3.46Å; A274-L297 WeakPolarHBondContact O-CA 2.86Å; A274-I298 PolarHBondContact O-N 2.78Å
275	A	98.5	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.3	173.2	0	0	0	0	0	110.3	H122 L126 L248 I249 N250 I298	H122-A275 HydrophobicContact CB-CB 3.72Å; L126-A275 HydrophobicContact CD1-CB 4.11Å; L126-A275 HydrophobicContact CD2-CB 4.09Å; L126-A275 HydrophobicContact CG-CB 4.2Å; L248-A275 PolarHBondContact O-N 2.89Å; I249-A275 VanDerWaalsContact CA-O 3.3Å; I249-A275 WeakPolarHBondContact CA-O 3.44Å; I249-A275 HydrophobicContact CG1-CB 4.38Å; N250-A275 PolarHBondContact N-O 2.98Å; A275-I298 WeakPolarHBondContact CA-O 3.36Å; A275-I298 HydrophobicContact CB-CB 4.3Å
276	L	98.4	Very high	95.7	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.2	-178.8	-51.1	177.3	0	0	0	108.9	N250 I257 L262 T279 L291 L297 I298 V299 T300	N250-L276 HydrophobicContact CB-CD2 3.76Å; I257-L276 HydrophobicContact CD1-CD2 3.74Å; L262-L276 HydrophobicContact CD2-CD1 3.96Å; L262-L276 HydrophobicContact CD2-CD2 4.15Å; L262-L276 HydrophobicContact CD2-CG 4.49Å; L276-T279 HydrophobicContact CD1-CG2 4.38Å; L276-L291 HydrophobicContact CD1-CD1 3.59Å; L276-L297 HydrophobicContact CD1-CD1 4.08Å; L276-L297 HydrophobicContact CG-CD1 4.09Å; L276-I298 PolarHBondContact N-O 3.44Å; L276-V299 HydrophobicContact CB-CG2 4.45Å; L276-V299 CarbonylContact O-C 3.57Å; L276-V299 VanDerWaalsContact O-CA 3.22Å; L276-V299 WeakPolarHBondContact O-CA 3.3Å; L276-T300 PolarHBondContact O-N 3.36Å
277	D	98.2	Very high	95.4	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	28%	0.277	C	S	.	.	S	Bend	trans	-91.2	-11.2	163.9	-169	58.7	0	0	0	111.9	H122 N250 T251 T300 H302 M303 A304	H122-D277 WeakPolarHBondContact NE2-CB 3.47Å; H122-D277 IonicContact NE2-OD1 3.14Å; N250-D277 PolarHBondContact O-N 3.28Å; T251-D277 HydrophobicContact CG2-CB 4.15Å; D277-T300 CarbonylContact C-O 3.55Å; D277-T300 WeakPolarHBondContact CA-O 3.42Å; D277-T300 WeakPolarHBondContact CA-OG1 3.4Å; D277-T300 WeakPolarHBondContact CB-OG1 3.46Å; D277-T300 VanDerWaalsContact OD1-CB 3.26Å; D277-T300 WeakPolarHBondContact OD1-CB 3.34Å; D277-T300 PolarHBondContact OD1-OG1 3.33Å; D277-H302 WeakPolarHBondContact O-CA 3.41Å; D277-H302 PolarHBondContact O-N 3.38Å; D277-H302 WeakPolarHBondContact OD2-CA 3.47Å; D277-M303 VanDerWaalsContact CG-N 3.32Å; D277-M303 PolarHBondContact OD1-N 3.44Å; D277-M303 PolarHBondContact OD2-N 3.07Å; D277-A304 HydrophobicContact CB-CB 4.28Å; D277-A304 WeakPolarHBondContact OD2-CB 3.4Å; D277-A304 PolarHBondContact OD2-N 3.22Å
278	V	97.5	Very high	95	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.289	C	S	.	.			trans	-141.8	144.2	-171.5	-69.2	0	0	0	0	110.6	N250 E282 H302	N250-V278 HydrophobicContact CB-CG2 4.41Å; N250-V278 WeakPolarHBondContact OD1-CG2 3.35Å; V278-E282 VanDerWaalsContact CA-OE1 3.23Å; V278-E282 WeakPolarHBondContact CA-OE1 3.32Å; V278-E282 WeakPolarHBondContact CB-OE1 3.39Å; V278-H302 HydrophobicContact CG1-CB 4.46Å
279	T	96.3	Very high	94.8	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.055	27%	0.269	C	S	.	.			trans	-137	159.3	-168.9	46.8	0	0	0	0	112	G254 E259 L276 T281 E282 F284 V299	G254-T279 VanDerWaalsContact CA-C 3.5Å; E259-T279 VanDerWaalsContact OE1-CB 3.23Å; E259-T279 WeakPolarHBondContact OE1-CB 3.33Å; L276-T279 HydrophobicContact CD1-CG2 4.38Å; T279-T281 PolarHBondContact O-N 2.8Å; T279-T281 PolarHBondContact OG1-O 2.78Å; T279-E282 PolarHBondContact N-OE1 2.82Å; T279-E282 WeakPolarHBondContact OG1-CG 3.39Å; T279-F284 HydrophobicContact CG2-CD2 3.56Å; T279-F284 HydrophobicContact CG2-CE2 3.8Å; T279-F284 HydrophobicContact CG2-CG 4.23Å; T279-F284 WeakPolarHBondContact OG1-CD2 3.21Å; T279-V299 HydrophobicContact CG2-CG1 4.25Å
280	E	93.5	Very high	94.7	Very high	61 Å²	61	49.8 Å²	49.8	29%	0.285	27%	0.265	S	S	.	.	S	Bend	trans	-62.5	-26	-176.8	-80	-162.1	-108.4	0	0	112.8	R231 H232 E259	R231-E280 IonicContact NH2-OE2 2.73Å; R231-E280 PolarHBondContact NH2-OE2 3.19Å; H232-E280 IonicContact CD2-OE2 2.88Å; H232-E280 IonicContact CE1-OE1 3.99Å; H232-E280 PolarHBondContact CE1-OE1 2.85Å; H232-E280 VanDerWaalsContact CE1-OE1 3.3Å; H232-E280 IonicContact CE1-OE2 3.52Å; H232-E280 PolarHBondContact CE1-OE2 2.83Å; H232-E280 VanDerWaalsContact NE2-CG 3.32Å; H232-E280 WeakPolarHBondContact NE2-CG 3.45Å; H232-E280 IonicContact NE2-OE1 2.88Å; H232-E280 PolarHBondContact NE2-OE1 3.44Å; H232-E280 CovalentContact NE2-OE2 1.79Å; H232-E280 IonicContact NE2-OE2 3.47Å; H232-E280 PolarHBondContact NE2-OE2 3.37Å; E259-E280 HydrophobicContact CG-CB 4.4Å; E259-E280 HydrophobicContact CG-CG 4.18Å; E259-E280 PolarHBondContact N-OE1 3.23Å; E259-E280 PolarHBondContact OE1-N 2.88Å
281	T	92.7	Very high	94.6	Very high	108 Å²	108	46.4 Å²	46.4	66%	0.663	25%	0.252	S	S	*	.	S	Bend	trans	-128.5	129.3	171.7	-60.9	0	0	0	0	108.9	T279	T279-T281 PolarHBondContact O-N 2.8Å; T279-T281 PolarHBondContact OG1-O 2.78Å
282	E	91.8	Very high	94.4	Very high	67 Å²	67	51.9 Å²	51.9	31%	0.313	28%	0.275	S	S	.	.	S	Bend	trans	-129.5	142.3	178.8	-71.9	172.9	-165.8	0	0	108.7	H64 V278 T279 H302	H64-E282 IonicContact CD2-OE2 3.58Å; V278-E282 VanDerWaalsContact CA-OE1 3.23Å; V278-E282 WeakPolarHBondContact CA-OE1 3.32Å; V278-E282 WeakPolarHBondContact CB-OE1 3.39Å; T279-E282 PolarHBondContact N-OE1 2.82Å; T279-E282 WeakPolarHBondContact OG1-CG 3.39Å; E282-H302 IonicContact OE1-ND1 2.73Å; E282-H302 IonicContact OE2-CE1 2.69Å; E282-H302 IonicContact OE2-CG 3.51Å; E282-H302 IonicContact OE2-ND1 3.54Å; E282-H302 PolarHBondContact OE2-ND1 3.12Å
283	P	91.5	Very high	94.2	Very high	116 Å²	116	52.3 Å²	52.3	75%	0.753	29%	0.285	S	S	*	.	S	Bend	cis	-69	143.2	0.1	30.7	-36.3	0	0	0	112.5
284	F	92.4	Very high	94.1	Very high	44 Å²	44	53 Å²	53	19%	0.193	29%	0.291	C	S	.	.			trans	-72.4	131.1	-173.2	-175.3	-108.5	0	0	0	113	T279 W286 S289 L291 V299	T279-F284 HydrophobicContact CG2-CD2 3.56Å; T279-F284 HydrophobicContact CG2-CE2 3.8Å; T279-F284 HydrophobicContact CG2-CG 4.23Å; T279-F284 WeakPolarHBondContact OG1-CD2 3.21Å; F284-W286 AromaticContact CE1-CD2 3.52Å; F284-W286 HydrophobicContact CE1-CD2 3.52Å; F284-W286 AromaticContact CE1-CE2 3.69Å; F284-W286 AromaticContact CE1-CE3 3.57Å; F284-W286 HydrophobicContact CE1-CE3 3.57Å; F284-W286 HydrophobicContact CE1-CG 4.09Å; F284-W286 AromaticContact CE1-CH2 3.93Å; F284-W286 HydrophobicContact CE1-CH2 3.93Å; F284-W286 AromaticContact CE1-CZ2 3.9Å; F284-W286 HydrophobicContact CE1-CZ2 3.9Å; F284-W286 AromaticContact CE1-CZ3 3.77Å; F284-W286 HydrophobicContact CE1-CZ3 3.77Å; F284-W286 HydrophobicContact CZ-CD2 4.16Å; F284-W286 AromaticContact CZ-CE3 3.71Å; F284-W286 HydrophobicContact CZ-CE3 3.71Å; F284-W286 HydrophobicContact CZ-CH2 4.16Å; F284-W286 AromaticContact CZ-CZ3 3.71Å; F284-W286 HydrophobicContact CZ-CZ3 3.71Å; F284-S289 VanDerWaalsContact CE2-CB 3.42Å; F284-S289 WeakPolarHBondContact CE2-OG 3.31Å; F284-L291 HydrophobicContact CE2-CD1 4.22Å; F284-L291 HydrophobicContact CZ-CB 4.49Å; F284-L291 HydrophobicContact CZ-CD1 4.36Å; F284-V299 HydrophobicContact CD1-CB 4.31Å; F284-V299 HydrophobicContact CD1-CG1 3.69Å; F284-V299 HydrophobicContact CE1-CB 4.06Å; F284-V299 HydrophobicContact CE1-CG1 3.88Å; F284-V299 HydrophobicContact CE1-CG2 3.98Å; F284-V299 HydrophobicContact CG-CG1 4.1Å; F284-V299 HydrophobicContact CZ-CG1 4.45Å; F284-V299 HydrophobicContact CZ-CG2 4.13Å
285	V	93.5	Very high	93.9	Very high	70 Å²	70	55.5 Å²	55.5	42%	0.424	31%	0.307	S	S	.	.			trans	-127	105.8	-178.4	-179.8	0	0	0	0	110.9	S287 N288 S289	V285-S287 WeakPolarHBondContact CG1-OG 3.41Å; V285-S287 PolarHBondContact O-N 3.43Å; V285-S287 VanDerWaalsContact O-N 3.09Å; V285-N288 HydrophobicContact CG1-CB 4.38Å; V285-N288 PolarHBondContact O-N 3.32Å; V285-S289 PolarHBondContact O-N 2.97Å
286	W	91.8	Very high	93.8	Very high	127 Å²	127	58.1 Å²	58.1	48%	0.481	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.8	-176	-88.4	127.4	0	0	0	115.2	F284 N288 L291 K292 L297 V299	F284-W286 AromaticContact CE1-CD2 3.52Å; F284-W286 HydrophobicContact CE1-CD2 3.52Å; F284-W286 AromaticContact CE1-CE2 3.69Å; F284-W286 AromaticContact CE1-CE3 3.57Å; F284-W286 HydrophobicContact CE1-CE3 3.57Å; F284-W286 HydrophobicContact CE1-CG 4.09Å; F284-W286 AromaticContact CE1-CH2 3.93Å; F284-W286 HydrophobicContact CE1-CH2 3.93Å; F284-W286 AromaticContact CE1-CZ2 3.9Å; F284-W286 HydrophobicContact CE1-CZ2 3.9Å; F284-W286 AromaticContact CE1-CZ3 3.77Å; F284-W286 HydrophobicContact CE1-CZ3 3.77Å; F284-W286 HydrophobicContact CZ-CD2 4.16Å; F284-W286 AromaticContact CZ-CE3 3.71Å; F284-W286 HydrophobicContact CZ-CE3 3.71Å; F284-W286 HydrophobicContact CZ-CH2 4.16Å; F284-W286 AromaticContact CZ-CZ3 3.71Å; F284-W286 HydrophobicContact CZ-CZ3 3.71Å; W286-N288 PolarHBondContact O-N 2.67Å; W286-L291 HydrophobicContact CZ3-CB 4.35Å; W286-K292 WeakPolarHBondContact O-CB 3.49Å; W286-K292 WeakPolarHBondContact O-CG 3.38Å; W286-L297 HydrophobicContact CH2-CD2 3.67Å; W286-L297 HydrophobicContact CH2-CG 4.14Å; W286-L297 HydrophobicContact CZ3-CD2 3.93Å; W286-V299 HydrophobicContact CH2-CB 4.2Å; W286-V299 HydrophobicContact CH2-CG2 3.56Å; W286-V299 HydrophobicContact CZ2-CB 3.95Å; W286-V299 HydrophobicContact CZ2-CG2 3.84Å; W286-V299 HydrophobicContact CZ3-CG2 4.43Å
287	S	91.2	Very high	93.8	Very high	69 Å²	69	58.8 Å²	58.8	48%	0.483	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.6	-177.2	55.6	0	0	0	0	114	V285 K292	V285-S287 WeakPolarHBondContact CG1-OG 3.41Å; V285-S287 PolarHBondContact O-N 3.43Å; V285-S287 VanDerWaalsContact O-N 3.09Å; S287-K292 PolarHBondContact O-NZ 3.28Å; S287-K292 VanDerWaalsContact O-NZ 3.14Å
288	N	90.1	Very high	93.7	Very high	132 Å²	132	59.4 Å²	59.4	71%	0.706	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-17.3	-164.2	-62.5	14.6	0	0	0	114.4	V285 W286	V285-N288 HydrophobicContact CG1-CB 4.38Å; V285-N288 PolarHBondContact O-N 3.32Å; W286-N288 PolarHBondContact O-N 2.67Å
289	S	91.2	Very high	93.7	Very high	22 Å²	22	60.7 Å²	60.7	15%	0.154	34%	0.336	C	S	.	.	S	Bend	trans	-76.9	152.3	176.7	161.9	0	0	0	0	112.3	E259 F284 V285 L291 K292	E259-S289 PolarHBondContact OE2-OG 2.9Å; F284-S289 VanDerWaalsContact CE2-CB 3.42Å; F284-S289 WeakPolarHBondContact CE2-OG 3.31Å; V285-S289 PolarHBondContact O-N 2.97Å; S289-L291 PolarHBondContact O-N 3.42Å; S289-L291 WeakPolarHBondContact OG-CB 3.46Å; S289-L291 PolarHBondContact OG-N 3.13Å; S289-K292 VanDerWaalsContact O-CB 3.28Å; S289-K292 WeakPolarHBondContact O-CB 3.46Å; S289-K292 PolarHBondContact O-N 3.42Å
290	A	92.5	Very high	93.7	Very high	44 Å²	44	61.6 Å²	61.6	36%	0.364	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.1	-24.8	169.4	0	0	0	0	0	113.2	E259 V260 A263 K292	E259-A290 HydrophobicContact CB-CB 4.36Å; V260-A290 HydrophobicContact CG2-CB 3.9Å; A263-A290 WeakPolarHBondContact CB-O 3.46Å; A290-K292 VanDerWaalsContact C-N 3.26Å; A290-K292 PolarHBondContact O-N 3.07Å
291	L	94.7	Very high	93.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-76.1	-5.7	179.4	-60.4	173.1	0	0	0	114.1	E259 L262 A263 L276 F284 W286 S289 D293 A294 L297	E259-L291 HydrophobicContact CB-CD2 4.31Å; E259-L291 HydrophobicContact CB-CG 4.16Å; E259-L291 HydrophobicContact CG-CD1 3.87Å; E259-L291 HydrophobicContact CG-CD2 4.42Å; E259-L291 HydrophobicContact CG-CG 4.05Å; L262-L291 HydrophobicContact CB-CD2 4.4Å; L262-L291 HydrophobicContact CD2-CD2 4.16Å; L262-L291 HydrophobicContact CG-CD2 4.19Å; A263-L291 HydrophobicContact CB-CD2 4.26Å; L276-L291 HydrophobicContact CD1-CD1 3.59Å; F284-L291 HydrophobicContact CE2-CD1 4.22Å; F284-L291 HydrophobicContact CZ-CB 4.49Å; F284-L291 HydrophobicContact CZ-CD1 4.36Å; W286-L291 HydrophobicContact CZ3-CB 4.35Å; S289-L291 PolarHBondContact O-N 3.42Å; S289-L291 WeakPolarHBondContact OG-CB 3.46Å; S289-L291 PolarHBondContact OG-N 3.13Å; L291-D293 VanDerWaalsContact C-N 3.33Å; L291-D293 PolarHBondContact O-N 2.83Å; L291-D293 VanDerWaalsContact O-N 3.15Å; L291-A294 WeakPolarHBondContact O-CB 3.28Å; L291-A294 PolarHBondContact O-N 3.01Å; L291-L297 HydrophobicContact CB-CD2 3.65Å; L291-L297 HydrophobicContact CD1-CD2 4.04Å; L291-L297 HydrophobicContact CD2-CD2 4.17Å; L291-L297 HydrophobicContact CG-CD2 4.17Å
292	K	93.5	Very high	94	Very high	116 Å²	116	60 Å²	60	50%	0.504	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-46.3	-45.3	-173.5	177.4	-179.5	-177.3	170.7	0	115.7	W286 S287 S289 A290	W286-K292 WeakPolarHBondContact O-CB 3.49Å; W286-K292 WeakPolarHBondContact O-CG 3.38Å; S287-K292 PolarHBondContact O-NZ 3.28Å; S287-K292 VanDerWaalsContact O-NZ 3.14Å; S289-K292 VanDerWaalsContact O-CB 3.28Å; S289-K292 WeakPolarHBondContact O-CB 3.46Å; S289-K292 PolarHBondContact O-N 3.42Å; A290-K292 VanDerWaalsContact C-N 3.26Å; A290-K292 PolarHBondContact O-N 3.07Å
293	D	92.8	Very high	94.2	Very high	105 Å²	105	60.5 Å²	60.5	56%	0.561	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-106.4	22.5	179.3	-18.8	-77.2	0	0	0	112.5	K267 L291 P295	K267-D293 VanDerWaalsContact CE-C 3.49Å; K267-D293 WeakPolarHBondContact CE-O 3.38Å; K267-D293 IonicContact NZ-OD2 3.65Å; K267-D293 PolarHBondContact NZ-OD2 3.23Å; L291-D293 VanDerWaalsContact C-N 3.33Å; L291-D293 PolarHBondContact O-N 2.83Å; L291-D293 VanDerWaalsContact O-N 3.15Å; D293-P295 WeakPolarHBondContact O-CD 3.45Å
294	A	95.9	Very high	94.5	Very high	15 Å²	15	55.1 Å²	55.1	12%	0.124	30%	0.304	C	S	.	.			trans	-78.4	119.5	179.7	0	0	0	0	0	111	L266 L291 L297	L266-A294 HydrophobicContact CB-CB 4.39Å; L266-A294 HydrophobicContact CD1-CB 3.89Å; L291-A294 WeakPolarHBondContact O-CB 3.28Å; L291-A294 PolarHBondContact O-N 3.01Å; A294-L297 HydrophobicContact CB-CB 4.44Å; A294-L297 HydrophobicContact CB-CD2 4.09Å
295	P	95.2	Very high	94.5	Very high	53 Å²	53	54.6 Å²	54.6	34%	0.344	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	156.5	178.9	32.3	-36.5	0	0	0	111.5	L266 D293 L297	L266-P295 HydrophobicContact CB-CG 4.38Å; L266-P295 WeakPolarHBondContact O-CG 3.33Å; D293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-L297 PolarHBondContact O-N 2.76Å; P295-L297 VanDerWaalsContact O-N 3.13Å
296	N	95.7	Very high	94.7	Very high	55 Å²	55	56.9 Å²	56.9	29%	0.294	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	27.2	177.2	-59.6	-63.7	0	0	0	115.1	R129 W132 R272 A273 A274	R129-N296 PolarHBondContact NH1-OD1 3.01Å; R129-N296 VanDerWaalsContact NH1-OD1 3.12Å; R129-N296 PolarHBondContact NH2-OD1 2.95Å; W132-N296 HydrophobicContact CZ2-CB 4.45Å; W132-N296 WeakPolarHBondContact CZ2-O 3.43Å; R272-N296 WeakPolarHBondContact O-CB 3.02Å; R272-N296 PolarHBondContact O-ND2 2.7Å; A273-N296 WeakPolarHBondContact CA-O 3.43Å; A273-N296 HydrophobicContact CB-CB 3.7Å; A273-N296 VanDerWaalsContact CB-O 3.24Å; A273-N296 WeakPolarHBondContact CB-O 3.03Å; A274-N296 PolarHBondContact N-O 3.35Å; A274-N296 VanDerWaalsContact N-O 3.09Å
297	L	97.3	Very high	94.9	Very high	17 Å²	17	52 Å²	52	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.8	174.3	-178.2	61.5	0	0	0	111.4	L266 A274 L276 W286 L291 A294 P295 V299	L266-L297 HydrophobicContact CD1-CB 4.36Å; L266-L297 HydrophobicContact CD1-CD1 4.4Å; A274-L297 HydrophobicContact CB-CD1 3.97Å; A274-L297 CarbonylContact O-C 3.46Å; A274-L297 WeakPolarHBondContact O-CA 2.86Å; L276-L297 HydrophobicContact CD1-CD1 4.08Å; L276-L297 HydrophobicContact CG-CD1 4.09Å; W286-L297 HydrophobicContact CH2-CD2 3.67Å; W286-L297 HydrophobicContact CH2-CG 4.14Å; W286-L297 HydrophobicContact CZ3-CD2 3.93Å; L291-L297 HydrophobicContact CB-CD2 3.65Å; L291-L297 HydrophobicContact CD1-CD2 4.04Å; L291-L297 HydrophobicContact CD2-CD2 4.17Å; L291-L297 HydrophobicContact CG-CD2 4.17Å; A294-L297 HydrophobicContact CB-CB 4.44Å; A294-L297 HydrophobicContact CB-CD2 4.09Å; P295-L297 PolarHBondContact O-N 2.76Å; P295-L297 VanDerWaalsContact O-N 3.13Å; L297-V299 HydrophobicContact CD1-CG2 4.23Å; L297-V299 HydrophobicContact CD2-CG2 3.98Å; L297-V299 HydrophobicContact CG-CG2 3.95Å
298	I	97.1	Very high	95.1	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.8	163.7	-62.7	178.2	0	0	0	107.1	T125 L126 Y131 W132 A274 A275 L276	T125-I298 HydrophobicContact CG2-CD1 3.52Å; L126-I298 HydrophobicContact CD2-CD1 4.2Å; Y131-I298 HydrophobicContact CD1-CD1 4.07Å; Y131-I298 HydrophobicContact CD1-CG1 4.16Å; Y131-I298 HydrophobicContact CG-CD1 4.37Å; W132-I298 HydrophobicContact CH2-CD1 3.88Å; W132-I298 HydrophobicContact CH2-CG1 4.1Å; W132-I298 HydrophobicContact CZ2-CD1 3.9Å; W132-I298 HydrophobicContact CZ2-CG1 3.67Å; W132-I298 HydrophobicContact CZ3-CD1 4.39Å; A274-I298 PolarHBondContact O-N 2.78Å; A275-I298 WeakPolarHBondContact CA-O 3.36Å; A275-I298 HydrophobicContact CB-CB 4.3Å; L276-I298 PolarHBondContact N-O 3.44Å
299	V	97.3	Very high	95.4	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.4	170.1	-176.6	0	0	0	0	109.6	L276 T279 F284 W286 L297	L276-V299 HydrophobicContact CB-CG2 4.45Å; L276-V299 CarbonylContact O-C 3.57Å; L276-V299 VanDerWaalsContact O-CA 3.22Å; L276-V299 WeakPolarHBondContact O-CA 3.3Å; T279-V299 HydrophobicContact CG2-CG1 4.25Å; F284-V299 HydrophobicContact CD1-CB 4.31Å; F284-V299 HydrophobicContact CD1-CG1 3.69Å; F284-V299 HydrophobicContact CE1-CB 4.06Å; F284-V299 HydrophobicContact CE1-CG1 3.88Å; F284-V299 HydrophobicContact CE1-CG2 3.98Å; F284-V299 HydrophobicContact CG-CG1 4.1Å; F284-V299 HydrophobicContact CZ-CG1 4.45Å; F284-V299 HydrophobicContact CZ-CG2 4.13Å; W286-V299 HydrophobicContact CH2-CB 4.2Å; W286-V299 HydrophobicContact CH2-CG2 3.56Å; W286-V299 HydrophobicContact CZ2-CB 3.95Å; W286-V299 HydrophobicContact CZ2-CG2 3.84Å; W286-V299 HydrophobicContact CZ3-CG2 4.43Å; L297-V299 HydrophobicContact CD1-CG2 4.23Å; L297-V299 HydrophobicContact CD2-CG2 3.98Å; L297-V299 HydrophobicContact CG-CG2 3.95Å
300	T	97	Very high	95.6	Very high	27 Å²	27	52.3 Å²	52.3	17%	0.166	28%	0.284	C	S	.	.			trans	-114.2	151	168.6	46.9	0	0	0	0	110.3	H122 L276 D277 H302	H122-T300 WeakPolarHBondContact CE1-CG2 3.42Å; H122-T300 PolarHBondContact CE1-OG1 2.59Å; H122-T300 PolarHBondContact NE2-OG1 3.02Å; L276-T300 PolarHBondContact O-N 3.36Å; D277-T300 CarbonylContact C-O 3.55Å; D277-T300 WeakPolarHBondContact CA-O 3.42Å; D277-T300 WeakPolarHBondContact CA-OG1 3.4Å; D277-T300 WeakPolarHBondContact CB-OG1 3.46Å; D277-T300 VanDerWaalsContact OD1-CB 3.26Å; D277-T300 WeakPolarHBondContact OD1-CB 3.34Å; D277-T300 PolarHBondContact OD1-OG1 3.33Å; T300-H302 PolarHBondContact O-N 3.11Å; T300-H302 VanDerWaalsContact O-N 3.15Å
301	P	96	Very high	95.7	Very high	109 Å²	109	52.5 Å²	52.5	71%	0.708	28%	0.279	S	S	*	.			trans	-90.2	71.8	-168.6	35.8	-36.9	0	0	0	112.5	M303	P301-M303 VanDerWaalsContact C-N 3.3Å; P301-M303 HydrophobicContact CG-CG 4.46Å; P301-M303 PolarHBondContact O-N 2.91Å
302	H	95.6	Very high	95.8	Very high	28 Å²	28	59.2 Å²	59.2	13%	0.13	30%	0.304	C	S	.	.	S	Bend	trans	48.2	48.9	177.4	-156.4	150.7	0	0	0	112.8	H64 D277 V278 E282 T300 F305	H64-H302 AromaticContact CD2-CE1 3.96Å; H64-H302 AromaticContact CD2-ND1 3.81Å; H64-H302 AromaticContact CE1-CG 3.99Å; H64-H302 AromaticContact CE1-ND1 3.77Å; H64-H302 AromaticContact CG-CE1 3.88Å; H64-H302 AromaticContact ND1-CE1 3.9Å; H64-H302 AromaticContact NE2-ND1 3.6Å; D277-H302 WeakPolarHBondContact O-CA 3.41Å; D277-H302 PolarHBondContact O-N 3.38Å; D277-H302 WeakPolarHBondContact OD2-CA 3.47Å; V278-H302 HydrophobicContact CG1-CB 4.46Å; E282-H302 IonicContact OE1-ND1 2.73Å; E282-H302 IonicContact OE2-CE1 2.69Å; E282-H302 IonicContact OE2-CG 3.51Å; E282-H302 IonicContact OE2-ND1 3.54Å; E282-H302 PolarHBondContact OE2-ND1 3.12Å; T300-H302 PolarHBondContact O-N 3.11Å; T300-H302 VanDerWaalsContact O-N 3.15Å; H302-F305 WeakPolarHBondContact O-CE1 3.5Å
303	M	96	Very high	95.9	Very high	77 Å²	77	58.7 Å²	58.7	38%	0.379	30%	0.303	S	S	.	.			trans	-114.9	-2.2	-169.6	66.1	77	59.1	0	0	114.7	T118 D277 P301 F305 Y306	T118-M303 HydrophobicContact CG2-SD 4.43Å; D277-M303 VanDerWaalsContact CG-N 3.32Å; D277-M303 PolarHBondContact OD1-N 3.44Å; D277-M303 PolarHBondContact OD2-N 3.07Å; P301-M303 VanDerWaalsContact C-N 3.3Å; P301-M303 HydrophobicContact CG-CG 4.46Å; P301-M303 PolarHBondContact O-N 2.91Å; M303-F305 PolarHBondContact O-N 3.46Å; M303-F305 VanDerWaalsContact O-N 3.08Å; M303-Y306 VanDerWaalsContact O-CB 3.31Å; M303-Y306 WeakPolarHBondContact O-CB 3.38Å; M303-Y306 PolarHBondContact O-N 3.07Å
304	A	97	Very high	96.1	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.8	-177.2	0	0	0	0	0	114.1	E114 S115 T118 T251 D277	E114-A304 CarbonylContact C-O 3.52Å; E114-A304 WeakPolarHBondContact CB-O 3.21Å; E114-A304 VanDerWaalsContact O-O 3.1Å; S115-A304 VanDerWaalsContact CA-O 3.26Å; S115-A304 WeakPolarHBondContact CA-O 3.3Å; S115-A304 PolarHBondContact N-O 2.85Å; S115-A304 VanDerWaalsContact N-O 3.09Å; T118-A304 HydrophobicContact CG2-CB 3.66Å; T118-A304 PolarHBondContact OG1-O 3.05Å; T251-A304 HydrophobicContact CG2-CB 4.46Å; D277-A304 HydrophobicContact CB-CB 4.28Å; D277-A304 WeakPolarHBondContact OD2-CB 3.4Å; D277-A304 PolarHBondContact OD2-N 3.22Å
305	F	94.4	Very high	96.1	Very high	33 Å²	33	53.6 Å²	53.6	15%	0.145	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12	176.8	74.6	-95.7	0	0	0	114.2	F110 H302 M303 S310 M311 M314	F110-F305 HydrophobicContact CE2-CB 3.91Å; F110-F305 AromaticContact CE2-CD2 3.89Å; F110-F305 HydrophobicContact CE2-CD2 3.89Å; F110-F305 HydrophobicContact CE2-CG 4.14Å; H302-F305 WeakPolarHBondContact O-CE1 3.5Å; M303-F305 PolarHBondContact O-N 3.46Å; M303-F305 VanDerWaalsContact O-N 3.08Å; F305-S310 PolarHBondContact O-OG 2.97Å; F305-M311 HydrophobicContact CE2-CE 4.39Å; F305-M314 HydrophobicContact CD2-CE 4.02Å; F305-M314 HydrophobicContact CE2-CE 3.84Å
306	Y	96.5	Very high	96.2	Very high	119 Å²	119	55 Å²	55	47%	0.467	28%	0.275	S	S	.	.			trans	-87.2	116.3	-160	-178.7	-91.2	0	0	0	114.2	M303 M311	M303-Y306 VanDerWaalsContact O-CB 3.31Å; M303-Y306 WeakPolarHBondContact O-CB 3.38Å; M303-Y306 PolarHBondContact O-N 3.07Å; Y306-M311 HydrophobicContact CD2-CE 3.75Å; Y306-M311 HydrophobicContact CD2-SD 4.46Å; Y306-M311 HydrophobicContact CE2-CE 3.68Å; Y306-M311 HydrophobicContact CE2-SD 3.89Å
307	S	96.6	Very high	96.3	Very high	23 Å²	23	53.9 Å²	53.9	16%	0.161	27%	0.274	C	S	.	.			trans	-135.9	162.3	152.9	73.9	0	0	0	0	109	E114 S309 S310 M311	E114-S307 WeakPolarHBondContact OE1-CB 3.39Å; E114-S307 PolarHBondContact OE1-OG 2.9Å; S307-S309 PolarHBondContact O-N 3.36Å; S307-S309 PolarHBondContact OG-N 3.18Å; S307-S309 PolarHBondContact OG-OG 2.86Å; S307-S310 PolarHBondContact N-OG 2.83Å; S307-S310 PolarHBondContact O-N 3.01Å; S307-S310 PolarHBondContact O-OG 3.3Å; S307-S310 WeakPolarHBondContact OG-CB 3.45Å; S307-S310 PolarHBondContact OG-N 2.89Å; S307-S310 PolarHBondContact OG-OG 3.47Å; S307-M311 WeakPolarHBondContact O-CB 3.41Å; S307-M311 PolarHBondContact O-N 3.02Å
308	E	95.5	Very high	96.3	Very high	149 Å²	149	53.1 Å²	53.1	70%	0.696	27%	0.269	S	S	*	.	H	α-helix	trans	-58.8	-32.5	173.7	-64.1	-169.4	160.1	0	0	111.8	R312	E308-R312 WeakPolarHBondContact O-CB 3.48Å; E308-R312 PolarHBondContact O-N 3.5Å
309	S	96.2	Very high	96.3	Very high	80 Å²	80	52.4 Å²	52.4	56%	0.559	27%	0.266	S	S	*	.	H	α-helix	trans	-69.4	-52.6	174.2	23.7	0	0	0	0	112.6	S307 M311 R312 E313	S307-S309 PolarHBondContact O-N 3.36Å; S307-S309 PolarHBondContact OG-N 3.18Å; S307-S309 PolarHBondContact OG-OG 2.86Å; S309-M311 PolarHBondContact O-N 3.4Å; S309-R312 PolarHBondContact O-N 2.82Å; S309-E313 WeakPolarHBondContact O-CB 3.41Å; S309-E313 PolarHBondContact O-N 3.39Å
310	S	95.5	Very high	96.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-37.4	-176.4	71.3	0	0	0	0	112.2	E114 F305 S307 R312 M314	E114-S310 WeakPolarHBondContact OE1-CB 3.42Å; F305-S310 PolarHBondContact O-OG 2.97Å; S307-S310 PolarHBondContact N-OG 2.83Å; S307-S310 PolarHBondContact O-N 3.01Å; S307-S310 PolarHBondContact O-OG 3.3Å; S307-S310 WeakPolarHBondContact OG-CB 3.45Å; S307-S310 PolarHBondContact OG-N 2.89Å; S307-S310 PolarHBondContact OG-OG 3.47Å; S310-R312 VanDerWaalsContact C-N 3.32Å; S310-R312 PolarHBondContact O-N 2.84Å; S310-M314 WeakPolarHBondContact O-CB 3.44Å; S310-M314 PolarHBondContact O-N 2.86Å
311	M	95	Very high	96.2	Very high	49 Å²	49	52.4 Å²	52.4	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-38.5	175.1	178.1	167.3	-80.2	0	0	111.3	W63 F305 Y306 S307 S309 R315	W63-M311 HydrophobicContact CH2-CE 3.96Å; W63-M311 HydrophobicContact CH2-CG 4.37Å; W63-M311 HydrophobicContact CZ3-CE 4.26Å; F305-M311 HydrophobicContact CE2-CE 4.39Å; Y306-M311 HydrophobicContact CD2-CE 3.75Å; Y306-M311 HydrophobicContact CD2-SD 4.46Å; Y306-M311 HydrophobicContact CE2-CE 3.68Å; Y306-M311 HydrophobicContact CE2-SD 3.89Å; S307-M311 WeakPolarHBondContact O-CB 3.41Å; S307-M311 PolarHBondContact O-N 3.02Å; S309-M311 PolarHBondContact O-N 3.4Å; M311-R315 WeakPolarHBondContact O-CB 3.17Å; M311-R315 VanDerWaalsContact O-CG 3.3Å; M311-R315 WeakPolarHBondContact O-CG 3.33Å; M311-R315 PolarHBondContact O-N 2.9Å
312	R	95.8	Very high	96.3	Very high	141 Å²	141	47.2 Å²	47.2	53%	0.532	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-54.1	174.4	-175.2	178.5	-53.1	179.5	7.4	111.3	I27 E308 S309 S310 M314 R315 E316	I27-R312 HydrophobicContact CD1-CB 4.43Å; I27-R312 HydrophobicContact CD1-CG 4.28Å; E308-R312 WeakPolarHBondContact O-CB 3.48Å; E308-R312 PolarHBondContact O-N 3.5Å; S309-R312 PolarHBondContact O-N 2.82Å; S310-R312 VanDerWaalsContact C-N 3.32Å; S310-R312 PolarHBondContact O-N 2.84Å; R312-M314 VanDerWaalsContact C-N 3.26Å; R312-M314 PolarHBondContact O-N 2.97Å; R312-R315 PolarHBondContact O-N 3.19Å; R312-R315 VanDerWaalsContact O-N 3.16Å; R312-E316 WeakPolarHBondContact CD-OE1 3.31Å; R312-E316 HydrophobicContact CG-CG 4.11Å; R312-E316 WeakPolarHBondContact CG-OE1 3.45Å; R312-E316 WeakPolarHBondContact O-CB 3.4Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 2.73Å
313	E	96.1	Very high	96.3	Very high	105 Å²	105	49.2 Å²	49.2	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-53.5	-45.8	179.7	-171.4	-162.5	152.4	0	0	111.1	S309 E316 A317	S309-E313 WeakPolarHBondContact O-CB 3.41Å; S309-E313 PolarHBondContact O-N 3.39Å; E313-E316 PolarHBondContact O-N 3.13Å; E313-A317 WeakPolarHBondContact O-CB 3.31Å; E313-A317 PolarHBondContact O-N 3.01Å
314	M	95.7	Very high	96.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-46.1	179.6	-177.2	177	33.6	0	0	112.7	W63 I85 G86 V107 F110 F305 S310 R312 A317 A318	W63-M314 HydrophobicContact CH2-CE 4.2Å; W63-M314 HydrophobicContact CZ3-CE 3.58Å; W63-M314 HydrophobicContact CZ3-SD 4.44Å; I85-M314 HydrophobicContact CG2-CE 4.13Å; I85-M314 HydrophobicContact CG2-CG 3.68Å; I85-M314 HydrophobicContact CG2-SD 3.75Å; G86-M314 PolarHBondContact N-SD 2.97Å; G86-M314 VanDerWaalsContact N-SD 3.38Å; V107-M314 HydrophobicContact CB-CG 4.25Å; V107-M314 HydrophobicContact CG1-CG 4.34Å; V107-M314 HydrophobicContact CG2-CG 4.48Å; F110-M314 HydrophobicContact CB-CB 3.94Å; F110-M314 HydrophobicContact CD1-CB 4.24Å; F110-M314 HydrophobicContact CD1-CG 3.97Å; F110-M314 HydrophobicContact CD1-SD 3.99Å; F110-M314 HydrophobicContact CD2-CB 3.79Å; F110-M314 HydrophobicContact CD2-CE 3.81Å; F110-M314 HydrophobicContact CD2-CG 4.02Å; F110-M314 HydrophobicContact CD2-SD 3.6Å; F110-M314 VanDerWaalsContact CD2-SD 3.6Å; F110-M314 HydrophobicContact CE1-CG 4.21Å; F110-M314 HydrophobicContact CE1-SD 3.67Å; F110-M314 HydrophobicContact CE2-CB 4.46Å; F110-M314 HydrophobicContact CE2-CE 3.58Å; F110-M314 HydrophobicContact CE2-CG 4.26Å; F110-M314 HydrophobicContact CE2-SD 3.25Å; F110-M314 WeakPolarHBondContact CE2-SD 3.23Å; F110-M314 HydrophobicContact CG-CB 3.68Å; F110-M314 HydrophobicContact CG-CG 3.89Å; F110-M314 HydrophobicContact CG-SD 3.97Å; F110-M314 HydrophobicContact CZ-CE 4.23Å; F110-M314 HydrophobicContact CZ-CG 4.36Å; F110-M314 HydrophobicContact CZ-SD 3.31Å; F110-M314 WeakPolarHBondContact CZ-SD 3.41Å; F305-M314 HydrophobicContact CD2-CE 4.02Å; F305-M314 HydrophobicContact CE2-CE 3.84Å; S310-M314 WeakPolarHBondContact O-CB 3.44Å; S310-M314 PolarHBondContact O-N 2.86Å; R312-M314 VanDerWaalsContact C-N 3.26Å; R312-M314 PolarHBondContact O-N 2.97Å; M314-A317 PolarHBondContact O-N 3.23Å; M314-A318 WeakPolarHBondContact O-CB 3.46Å; M314-A318 PolarHBondContact O-N 3.45Å
315	R	97	Very high	96.3	Very high	11 Å²	11	49.6 Å²	49.6	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-40.9	180	-73.1	175.3	64.8	-171.5	-2.9	112	D24 I27 E28 W63 I85 M311 R312 A318 A319	D24-R315 PolarHBondContact O-NH2 3.04Å; D24-R315 IonicContact OD1-CZ 2.67Å; D24-R315 IonicContact OD1-NH1 3.61Å; D24-R315 IonicContact OD1-NH2 3.97Å; D24-R315 PolarHBondContact OD1-NH2 3.25Å; D24-R315 IonicContact OD2-CZ 3.23Å; D24-R315 IonicContact OD2-NH1 3.74Å; D24-R315 PolarHBondContact OD2-NH1 3.4Å; D24-R315 IonicContact OD2-NH2 2.66Å; D24-R315 PolarHBondContact OD2-NH2 3.15Å; I27-R315 HydrophobicContact CB-CB 4.21Å; I27-R315 HydrophobicContact CD1-CB 4.21Å; I27-R315 HydrophobicContact CG2-CB 3.91Å; E28-R315 WeakPolarHBondContact OE1-CB 3.28Å; E28-R315 WeakPolarHBondContact OE1-CG 3.18Å; E28-R315 IonicContact OE1-CZ 2.76Å; E28-R315 IonicContact OE1-NE 2.91Å; E28-R315 PolarHBondContact OE1-NE 2.75Å; E28-R315 IonicContact OE1-NH2 3.86Å; E28-R315 PolarHBondContact OE1-NH2 2.92Å; E28-R315 IonicContact OE2-CZ 2.86Å; E28-R315 IonicContact OE2-NE 3.76Å; E28-R315 IonicContact OE2-NH2 3.71Å; E28-R315 PolarHBondContact OE2-NH2 3.27Å; W63-R315 HydrophobicContact CH2-CG 4Å; W63-R315 HydrophobicContact CZ2-CG 4.13Å; I85-R315 HydrophobicContact CG2-CG 3.96Å; M311-R315 WeakPolarHBondContact O-CB 3.17Å; M311-R315 VanDerWaalsContact O-CG 3.3Å; M311-R315 WeakPolarHBondContact O-CG 3.33Å; M311-R315 PolarHBondContact O-N 2.9Å; R312-R315 PolarHBondContact O-N 3.19Å; R312-R315 VanDerWaalsContact O-N 3.16Å; R315-A318 PolarHBondContact O-N 2.74Å; R315-A319 WeakPolarHBondContact O-CB 3.29Å; R315-A319 PolarHBondContact O-N 2.76Å
316	E	97.1	Very high	96.3	Very high	81 Å²	81	50.1 Å²	50.1	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-43.3	172.6	-68.4	-175.1	-172.9	0	0	111.5	I27 L31 R312 E313 N320	I27-E316 HydrophobicContact CG2-CB 4.48Å; I27-E316 HydrophobicContact CG2-CG 3.5Å; I27-E316 VanDerWaalsContact CG2-CG 3.5Å; L31-E316 HydrophobicContact CD1-CB 4.03Å; L31-E316 HydrophobicContact CD1-CG 4.01Å; R312-E316 WeakPolarHBondContact CD-OE1 3.31Å; R312-E316 HydrophobicContact CG-CG 4.11Å; R312-E316 WeakPolarHBondContact CG-OE1 3.45Å; R312-E316 WeakPolarHBondContact O-CB 3.4Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 2.73Å; E313-E316 PolarHBondContact O-N 3.13Å; E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 2.83Å; E316-N320 PolarHBondContact O-ND2 3.16Å
317	A	96.8	Very high	96.1	Very high	33 Å²	33	49.3 Å²	49.3	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-42.7	177.2	0	0	0	0	0	112.2	V107 E313 M314 N320 E321	V107-A317 HydrophobicContact CG1-CB 3.68Å; V107-A317 HydrophobicContact CG2-CB 4.19Å; E313-A317 WeakPolarHBondContact O-CB 3.31Å; E313-A317 PolarHBondContact O-N 3.01Å; M314-A317 PolarHBondContact O-N 3.23Å; A317-N320 PolarHBondContact O-N 2.79Å; A317-E321 PolarHBondContact O-N 2.69Å
318	A	97.4	Very high	95.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-45.5	177.3	0	0	0	0	0	112.1	L61 V83 I85 V107 M314 R315 N320 E321 I322	L61-A318 HydrophobicContact CD2-CB 3.7Å; V83-A318 HydrophobicContact CG1-CB 3.77Å; I85-A318 HydrophobicContact CG1-CB 4.01Å; V107-A318 HydrophobicContact CG2-CB 3.93Å; M314-A318 WeakPolarHBondContact O-CB 3.46Å; M314-A318 PolarHBondContact O-N 3.45Å; R315-A318 PolarHBondContact O-N 2.74Å; A318-N320 VanDerWaalsContact C-N 3.33Å; A318-N320 PolarHBondContact O-N 3.5Å; A318-E321 PolarHBondContact O-N 2.64Å; A318-E321 VanDerWaalsContact O-N 3.13Å; A318-I322 PolarHBondContact O-N 3.17Å
319	A	97.1	Very high	95.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-40.2	174.2	0	0	0	0	0	112.3	E28 L31 L32 R315 E321 I322 R323	E28-A319 HydrophobicContact CB-CB 4.16Å; E28-A319 HydrophobicContact CG-CB 4.15Å; L31-A319 HydrophobicContact CB-CB 4.07Å; L31-A319 HydrophobicContact CD1-CB 3.83Å; L32-A319 HydrophobicContact CD1-CB 4.29Å; L32-A319 HydrophobicContact CG-CB 4.35Å; R315-A319 WeakPolarHBondContact O-CB 3.29Å; R315-A319 PolarHBondContact O-N 2.76Å; A319-E321 VanDerWaalsContact C-N 3.29Å; A319-E321 PolarHBondContact O-N 3.2Å; A319-I322 PolarHBondContact O-N 3.04Å; A319-R323 WeakPolarHBondContact O-CB 3.38Å; A319-R323 PolarHBondContact O-N 3.3Å
320	N	96.8	Very high	95.3	Very high	55 Å²	55	52.1 Å²	52.1	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-27.2	175.4	-83.2	-70.5	0	0	0	113.4	E316 A317 A318 R324	E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 2.83Å; E316-N320 PolarHBondContact O-ND2 3.16Å; A317-N320 PolarHBondContact O-N 2.79Å; A318-N320 VanDerWaalsContact C-N 3.33Å; A318-N320 PolarHBondContact O-N 3.5Å; N320-R324 PolarHBondContact O-N 2.92Å
321	E	97	Very high	94.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-75.1	-42.5	174.4	-157.1	72.5	167.2	0	0	111.7	V83 C105 A317 A318 A319 R323 R324 A325 R335 N336	V83-E321 HydrophobicContact CG1-CB 4.31Å; V83-E321 HydrophobicContact CG2-CB 4.26Å; V83-E321 HydrophobicContact CG2-CG 4.4Å; C105-E321 HydrophobicContact CB-CG 3.96Å; A317-E321 PolarHBondContact O-N 2.69Å; A318-E321 PolarHBondContact O-N 2.64Å; A318-E321 VanDerWaalsContact O-N 3.13Å; A319-E321 VanDerWaalsContact C-N 3.29Å; A319-E321 PolarHBondContact O-N 3.2Å; E321-R323 VanDerWaalsContact C-N 3.28Å; E321-R323 PolarHBondContact O-N 2.79Å; E321-R324 WeakPolarHBondContact O-CB 3.31Å; E321-R324 PolarHBondContact O-N 2.85Å; E321-R324 IonicContact OE2-CZ 3.33Å; E321-R324 IonicContact OE2-NE 2.69Å; E321-R324 PolarHBondContact OE2-NE 3.19Å; E321-R324 IonicContact OE2-NH2 3.13Å; E321-R324 PolarHBondContact OE2-NH2 3.23Å; E321-A325 PolarHBondContact O-N 2.66Å; E321-R335 WeakPolarHBondContact OE1-CA 3.44Å; E321-R335 WeakPolarHBondContact OE1-CB 3.21Å; E321-R335 PolarHBondContact OE1-N 3.27Å; E321-N336 PolarHBondContact OE1-N 3.47Å
322	I	96.9	Very high	94.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-43.4	167.6	-65.5	-68.8	0	0	0	110.6	V17 L32 L61 I81 V83 A318 A319 R324 A325 I326	V17-I322 HydrophobicContact CG1-CG2 4.02Å; V17-I322 HydrophobicContact CG2-CG2 3.65Å; L32-I322 HydrophobicContact CD1-CB 4.31Å; L32-I322 HydrophobicContact CD1-CG2 3.94Å; L32-I322 HydrophobicContact CD2-CB 4.25Å; L32-I322 HydrophobicContact CD2-CG2 3.83Å; L61-I322 HydrophobicContact CD1-CG1 4.26Å; L61-I322 HydrophobicContact CD2-CG1 3.95Å; L61-I322 HydrophobicContact CG-CD1 4.3Å; L61-I322 HydrophobicContact CG-CG1 3.96Å; I81-I322 HydrophobicContact CG2-CD1 3.89Å; V83-I322 HydrophobicContact CB-CD1 4.18Å; V83-I322 HydrophobicContact CB-CG1 4.37Å; V83-I322 HydrophobicContact CG2-CD1 3.47Å; V83-I322 VanDerWaalsContact CG2-CD1 3.47Å; V83-I322 HydrophobicContact CG2-CG1 3.81Å; A318-I322 PolarHBondContact O-N 3.17Å; A319-I322 PolarHBondContact O-N 3.04Å; I322-R324 PolarHBondContact O-N 3.07Å; I322-A325 WeakPolarHBondContact O-CB 3.5Å; I322-A325 PolarHBondContact O-N 3.24Å; I322-I326 HydrophobicContact CG2-CD1 3.65Å; I322-I326 HydrophobicContact CG2-CG1 4.37Å; I322-I326 WeakPolarHBondContact O-CG1 3.26Å; I322-I326 PolarHBondContact O-N 3.21Å
323	R	96.8	Very high	94.3	Very high	70 Å²	70	51 Å²	51	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-40.8	177.4	-169.5	178.6	178.5	98.9	11.2	112	L31 L32 D34 V35 A319 E321 L327	L31-R323 PolarHBondContact O-NH1 2.67Å; L32-R323 HydrophobicContact CD2-CB 3.92Å; D34-R323 VanDerWaalsContact CG-NH1 3.32Å; D34-R323 IonicContact OD1-CZ 3.8Å; D34-R323 IonicContact OD1-NH1 3.2Å; D34-R323 PolarHBondContact OD1-NH1 3.34Å; D34-R323 IonicContact OD1-NH2 2.64Å; D34-R323 IonicContact OD2-CZ 3.16Å; D34-R323 IonicContact OD2-NH1 3.43Å; D34-R323 PolarHBondContact OD2-NH1 3.4Å; D34-R323 VanDerWaalsContact OD2-NH1 3.13Å; D34-R323 IonicContact OD2-NH2 2.79Å; D34-R323 PolarHBondContact OD2-NH2 3.36Å; V35-R323 HydrophobicContact CG2-CG 4.35Å; A319-R323 WeakPolarHBondContact O-CB 3.38Å; A319-R323 PolarHBondContact O-N 3.3Å; E321-R323 VanDerWaalsContact C-N 3.28Å; E321-R323 PolarHBondContact O-N 2.79Å; R323-L327 HydrophobicContact CG-CD1 3.96Å; R323-L327 WeakPolarHBondContact O-CB 3.42Å; R323-L327 WeakPolarHBondContact O-CG 3.42Å; R323-L327 PolarHBondContact O-N 2.95Å
324	R	96.1	Very high	94.2	Very high	78 Å²	78	46.2 Å²	46.2	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-45.4	173	-86.1	-175.9	-81.3	-82.2	-3.3	112	N320 E321 I322 N328 C333	N320-R324 PolarHBondContact O-N 2.92Å; E321-R324 WeakPolarHBondContact O-CB 3.31Å; E321-R324 PolarHBondContact O-N 2.85Å; E321-R324 IonicContact OE2-CZ 3.33Å; E321-R324 IonicContact OE2-NE 2.69Å; E321-R324 PolarHBondContact OE2-NE 3.19Å; E321-R324 IonicContact OE2-NH2 3.13Å; E321-R324 PolarHBondContact OE2-NH2 3.23Å; I322-R324 PolarHBondContact O-N 3.07Å; R324-N328 WeakPolarHBondContact O-CB 3.42Å; R324-N328 PolarHBondContact O-N 3.42Å; R324-N328 PolarHBondContact O-ND2 2.93Å; R324-C333 WeakPolarHBondContact CD-O 3.36Å
325	A	95.4	Very high	94.1	Very high	9 Å²	9	55.2 Å²	55.2	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-36.6	179	0	0	0	0	0	114.3	I81 E321 I322 I330 L334	I81-A325 HydrophobicContact CB-CB 4.24Å; I81-A325 HydrophobicContact CD1-CB 3.55Å; I81-A325 HydrophobicContact CG1-CB 4.48Å; I81-A325 HydrophobicContact CG2-CB 3.81Å; E321-A325 PolarHBondContact O-N 2.66Å; I322-A325 WeakPolarHBondContact O-CB 3.5Å; I322-A325 PolarHBondContact O-N 3.24Å; A325-I330 HydrophobicContact CB-CD1 4.03Å; A325-I330 HydrophobicContact CB-CG1 4.18Å; A325-L334 HydrophobicContact CB-CD2 3.83Å
326	I	94.2	Very high	94	Very high	44 Å²	44	56.7 Å²	56.7	23%	0.226	27%	0.268	C	S	.	.	H	α-helix	trans	-77.8	-36.6	-179.6	-69.8	172.5	0	0	0	111.9	P15 V17 V35 A36 I322	P15-I326 HydrophobicContact CG-CD1 4.12Å; P15-I326 HydrophobicContact CG-CG1 4.43Å; P15-I326 HydrophobicContact CG-CG2 3.89Å; V17-I326 HydrophobicContact CG2-CD1 3.71Å; V35-I326 HydrophobicContact CB-CG2 4.23Å; A36-I326 HydrophobicContact CB-CD1 3.85Å; I322-I326 HydrophobicContact CG2-CD1 3.65Å; I322-I326 HydrophobicContact CG2-CG1 4.37Å; I322-I326 WeakPolarHBondContact O-CG1 3.26Å; I322-I326 PolarHBondContact O-N 3.21Å
327	L	93.5	Very high	93.9	Very high	103 Å²	103	53.7 Å²	53.7	54%	0.539	26%	0.256	S	S	.	.	H	α-helix	trans	-85.3	-13.5	-175.7	-70	175.6	0	0	0	114.7	V35 R323	V35-L327 HydrophobicContact CG1-CD1 4.25Å; V35-L327 HydrophobicContact CG1-CD2 3.79Å; V35-L327 HydrophobicContact CG1-CG 4.13Å; R323-L327 HydrophobicContact CG-CD1 3.96Å; R323-L327 WeakPolarHBondContact O-CB 3.42Å; R323-L327 WeakPolarHBondContact O-CG 3.42Å; R323-L327 PolarHBondContact O-N 2.95Å
328	N	92.5	Very high	93.8	Very high	93 Å²	93	53.4 Å²	53.4	50%	0.497	25%	0.251	S	S	.	.	S	Bend	trans	-141.5	178.1	-168.8	-53.5	-89.7	0	0	0	112.1	R324 C333	R324-N328 WeakPolarHBondContact O-CB 3.42Å; R324-N328 PolarHBondContact O-N 3.42Å; R324-N328 PolarHBondContact O-ND2 2.93Å; N328-C333 HydrophobicContact CB-CB 3.38Å
329	R	88.5	Confident	93.8	Very high	183 Å²	183	53.4 Å²	53.4	69%	0.691	25%	0.251	S	S	*	.			trans	-81.8	118.7	177.5	-172.9	174.7	-179.8	178	-1.3	112.2	D332 C333	R329-D332 PolarHBondContact O-N 3.3Å; R329-C333 PolarHBondContact O-N 2.9Å; R329-C333 PolarHBondContact O-SG 2.94Å
330	I	89.6	Confident	93.5	Very high	35 Å²	35	57 Å²	57	18%	0.179	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	141.9	167.4	-66	169.9	0	0	0	109.6	K80 I81 A103 A325 L334 M343	K80-I330 HydrophobicContact CB-CD1 3.88Å; I81-I330 HydrophobicContact CB-CD1 4.37Å; A103-I330 HydrophobicContact CB-CG2 3.68Å; A325-I330 HydrophobicContact CB-CD1 4.03Å; A325-I330 HydrophobicContact CB-CG1 4.18Å; I330-L334 HydrophobicContact CG1-CD1 4.39Å; I330-L334 HydrophobicContact CG2-CD1 4.08Å; I330-M343 HydrophobicContact CG2-SD 4.49Å
331	P	86.2	Confident	93.2	Very high	10 Å²	10	60.7 Å²	60.7	7%	0.065	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.1	-0.6	0.7	38.2	-34.6	0	0	0	114.5	C333 L334 K340 M343	P331-C333 VanDerWaalsContact C-N 3.34Å; P331-C333 PolarHBondContact O-N 3.09Å; P331-L334 HydrophobicContact CB-CD1 4.37Å; P331-L334 WeakPolarHBondContact O-CB 3.19Å; P331-L334 PolarHBondContact O-N 3.42Å; P331-L334 VanDerWaalsContact O-N 3.14Å; P331-K340 HydrophobicContact CB-CG 4.41Å; P331-K340 PolarHBondContact O-NZ 2.9Å; P331-M343 HydrophobicContact CB-SD 3.99Å; P331-M343 HydrophobicContact CG-SD 4.3Å
332	D	88.6	Confident	92.9	Very high	125 Å²	125	64.1 Å²	64.1	67%	0.668	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-32	-169.8	-56.3	-41.8	0	0	0	113	R329 L334	R329-D332 PolarHBondContact O-N 3.3Å; D332-L334 PolarHBondContact O-N 2.86Å
333	C	90.8	Very high	92.4	Very high	31 Å²	31	64.9 Å²	64.9	21%	0.209	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.8	175.4	69	0	0	0	0	114.6	R324 N328 R329 P331	R324-C333 WeakPolarHBondContact CD-O 3.36Å; N328-C333 HydrophobicContact CB-CB 3.38Å; R329-C333 PolarHBondContact O-N 2.9Å; R329-C333 PolarHBondContact O-SG 2.94Å; P331-C333 VanDerWaalsContact C-N 3.34Å; P331-C333 PolarHBondContact O-N 3.09Å
334	L	93.8	Very high	91.3	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	32%	0.318	C	S	.	.			trans	-89	125.5	-172.4	-52.9	179.2	0	0	0	110.8	I81 A103 A325 I330 P331 D332 C337 K340	I81-L334 HydrophobicContact CD1-CD1 4.11Å; I81-L334 HydrophobicContact CD1-CD2 3.8Å; A103-L334 HydrophobicContact CB-CD1 3.57Å; A325-L334 HydrophobicContact CB-CD2 3.83Å; I330-L334 HydrophobicContact CG1-CD1 4.39Å; I330-L334 HydrophobicContact CG2-CD1 4.08Å; P331-L334 HydrophobicContact CB-CD1 4.37Å; P331-L334 WeakPolarHBondContact O-CB 3.19Å; P331-L334 PolarHBondContact O-N 3.42Å; P331-L334 VanDerWaalsContact O-N 3.14Å; D332-L334 PolarHBondContact O-N 2.86Å; L334-C337 HydrophobicContact CB-CB 3.73Å; L334-C337 HydrophobicContact CD1-CB 3.85Å; L334-C337 HydrophobicContact CG-CB 4.45Å; L334-K340 PolarHBondContact O-NZ 3.2Å; L334-K340 VanDerWaalsContact O-NZ 3.16Å
335	R	94.1	Very high	89.7	Confident	192 Å²	192	67.8 Å²	67.8	73%	0.725	33%	0.333	S	S	*	.	S	Bend	trans	-71.1	-41.4	-178.7	-176	-178.4	176.9	170	-0.5	111.3	E321	E321-R335 WeakPolarHBondContact OE1-CA 3.44Å; E321-R335 WeakPolarHBondContact OE1-CB 3.21Å; E321-R335 PolarHBondContact OE1-N 3.27Å
336	N	94.4	Very high	87.3	Confident	42 Å²	42	69.8 Å²	69.8	23%	0.225	35%	0.354	C	S	.	.	S	Bend	trans	-131.5	40	-170.7	-56.2	-52.9	0	0	0	112.7	C105 N106 P108 E321	C105-N336 WeakPolarHBondContact CA-O 3.36Å; C105-N336 WeakPolarHBondContact CB-O 3.46Å; N106-N336 PolarHBondContact N-O 3.27Å; N106-N336 VanDerWaalsContact O-CB 3.27Å; N106-N336 WeakPolarHBondContact O-CB 3.45Å; N106-N336 PolarHBondContact OD1-O 3.4Å; P108-N336 WeakPolarHBondContact CD-ND2 3.35Å; P108-N336 HydrophobicContact CG-CB 4.09Å; P108-N336 WeakPolarHBondContact CG-OD1 3.28Å; E321-N336 PolarHBondContact OE1-N 3.47Å
337	C	96.1	Very high	84.3	Confident	18 Å²	18	71.5 Å²	71.5	12%	0.122	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-74.7	128	172.2	173.7	0	0	0	0	110.8	V104 C105 L334 N339 K340	V104-C337 CarbonylContact O-C 3.57Å; V104-C337 VanDerWaalsContact O-CA 3.3Å; V104-C337 WeakPolarHBondContact O-CA 3.43Å; V104-C337 PolarHBondContact O-SG 3.27Å; C105-C337 VanDerWaalsContact SG-CA 3.53Å; L334-C337 HydrophobicContact CB-CB 3.73Å; L334-C337 HydrophobicContact CD1-CB 3.85Å; L334-C337 HydrophobicContact CG-CB 4.45Å; C337-N339 PolarHBondContact SG-OD1 3.15Å; C337-K340 HydrophobicContact CB-CD 4.48Å; C337-K340 HydrophobicContact CB-CG 4.01Å; C337-K340 VanDerWaalsContact SG-CG 3.58Å
338	V	94.7	Very high	81.3	Confident	27 Å²	27	71.3 Å²	71.3	16%	0.164	39%	0.39	C	S	.	.	S	Bend	trans	-108.1	11.2	-170.6	-59.8	0	0	0	0	113.7	Y89 V104 N106	Y89-V338 HydrophobicContact CD1-CB 4.47Å; Y89-V338 HydrophobicContact CD1-CG1 4.27Å; Y89-V338 HydrophobicContact CD1-CG2 4.09Å; Y89-V338 HydrophobicContact CD2-CG2 4.2Å; Y89-V338 HydrophobicContact CE1-CB 4.32Å; Y89-V338 HydrophobicContact CE1-CG1 4.09Å; Y89-V338 HydrophobicContact CE1-CG2 4.4Å; Y89-V338 HydrophobicContact CE2-CG2 4.48Å; Y89-V338 HydrophobicContact CG-CG2 3.98Å; V104-V338 HydrophobicContact CB-CG2 4.23Å; V104-V338 HydrophobicContact CG1-CG2 4.01Å; V104-V338 WeakPolarHBondContact O-CG2 3.1Å; V104-V338 PolarHBondContact O-N 2.89Å; N106-V338 HydrophobicContact CB-CG1 4.43Å; N106-V338 WeakPolarHBondContact OD1-CG1 3.15Å
339	N	95.6	Very high	78.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.406	C	S	.	.			trans	-139.6	26.9	-179.9	78.8	-28	0	0	0	113.7	I94 G98 I102 A103 V104 C337 E341 F342 M343	I94-N339 HydrophobicContact CB-CB 4.06Å; I94-N339 WeakPolarHBondContact O-CB 3.48Å; I94-N339 PolarHBondContact O-ND2 2.97Å; G98-N339 WeakPolarHBondContact CA-ND2 3.45Å; G98-N339 PolarHBondContact N-ND2 3.09Å; I102-N339 PolarHBondContact O-ND2 3.21Å; A103-N339 WeakPolarHBondContact CA-OD1 3.35Å; V104-N339 PolarHBondContact N-OD1 3.27Å; C337-N339 PolarHBondContact SG-OD1 3.15Å; N339-E341 WeakPolarHBondContact CA-OE2 3.34Å; N339-E341 PolarHBondContact O-N 3Å; N339-F342 HydrophobicContact CB-CD2 4.13Å; N339-F342 PolarHBondContact O-N 3.1Å; N339-F342 VanDerWaalsContact O-N 3.1Å; N339-M343 WeakPolarHBondContact O-CG 3.47Å
340	K	92.5	Very high	75.4	Confident	75 Å²	75	70.9 Å²	70.9	33%	0.326	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-57	-34.4	-176.3	-66.5	-163.8	179.6	-166.1	0	112.6	P331 L334 C337 F342 M343	P331-K340 HydrophobicContact CB-CG 4.41Å; P331-K340 PolarHBondContact O-NZ 2.9Å; L334-K340 PolarHBondContact O-NZ 3.2Å; L334-K340 VanDerWaalsContact O-NZ 3.16Å; C337-K340 HydrophobicContact CB-CD 4.48Å; C337-K340 HydrophobicContact CB-CG 4.01Å; C337-K340 VanDerWaalsContact SG-CG 3.58Å; K340-F342 VanDerWaalsContact C-N 3.3Å; K340-F342 PolarHBondContact O-N 3.27Å; K340-M343 PolarHBondContact O-N 2.95Å
341	E	90.6	Very high	72.5	Confident	132 Å²	132	78.5 Å²	78.5	62%	0.617	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.3	-23.3	179.9	66.9	-86.1	-148.9	0	0	114.3	N339	N339-E341 WeakPolarHBondContact CA-OE2 3.34Å; N339-E341 PolarHBondContact O-N 3Å
342	F	90	Very high	69.8	Low	75 Å²	75	82.5 Å²	82.5	33%	0.329	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-94.7	-7	178.5	-60.1	-66.9	0	0	0	113	K95 G98 N339 K340	K95-F342 HydrophobicContact CB-CD1 4.22Å; K95-F342 HydrophobicContact CB-CD2 4.37Å; K95-F342 HydrophobicContact CB-CE1 4.18Å; K95-F342 HydrophobicContact CB-CE2 4.34Å; K95-F342 HydrophobicContact CB-CG 4.32Å; K95-F342 HydrophobicContact CB-CZ 4.24Å; K95-F342 HydrophobicContact CD-CE1 4.13Å; K95-F342 HydrophobicContact CG-CD1 3.82Å; K95-F342 HydrophobicContact CG-CE1 3.86Å; K95-F342 HydrophobicContact CG-CG 4.33Å; K95-F342 HydrophobicContact CG-CZ 4.4Å; G98-F342 CarbonylContact C-O 3.16Å; N339-F342 HydrophobicContact CB-CD2 4.13Å; N339-F342 PolarHBondContact O-N 3.1Å; N339-F342 VanDerWaalsContact O-N 3.1Å; K340-F342 VanDerWaalsContact C-N 3.3Å; K340-F342 PolarHBondContact O-N 3.27Å
343	M	86.7	Confident	67.1	Low	15 Å²	15	85.6 Å²	85.6	7%	0.074	48%	0.48	C	S	.	.	S	Bend	trans	-79.5	137.3	-175.2	-61	-133.2	78.5	0	0	112.1	G101 A103 I330 P331 N339 K340 N345 G346	G101-M343 WeakPolarHBondContact O-CE 3.28Å; A103-M343 HydrophobicContact CB-CE 4.39Å; A103-M343 HydrophobicContact CB-SD 3.87Å; I330-M343 HydrophobicContact CG2-SD 4.49Å; P331-M343 HydrophobicContact CB-SD 3.99Å; P331-M343 HydrophobicContact CG-SD 4.3Å; N339-M343 WeakPolarHBondContact O-CG 3.47Å; K340-M343 PolarHBondContact O-N 2.95Å; M343-N345 PolarHBondContact O-N 3.14Å; M343-G346 PolarHBondContact O-N 3.23Å
344	P	73.3	Confident	64.1	Low	98 Å²	98	87.2 Å²	87.2	64%	0.636	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-3.3	-175.9	25.2	-35.2	0	0	0	115.6	G98	G98-P344 WeakPolarHBondContact O-CD 3.36Å
345	N	62.1	Low	61	Low	112 Å²	112	93 Å²	93	60%	0.599	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	0.5	171.8	-69.2	-69.9	0	0	0	113.7	M343 G347	M343-N345 PolarHBondContact O-N 3.14Å; N345-G347 VanDerWaalsContact C-N 3.33Å
346	G	45.3	Very low	58.1	Low	51 Å²	51	88.9 Å²	88.9	53%	0.526	54%	0.542	S	S	.	.	S	Bend	trans	-77.7	-15.1	-179.8	0	0	0	0	0	114.5	M343 S348	M343-G346 PolarHBondContact O-N 3.23Å; G346-S348 PolarHBondContact O-N 3.27Å
347	G	31.6	Very low	55	Low	79 Å²	79	93.9 Å²	93.9	81%	0.814	57%	0.569	S	S	*	*			trans	-94.4	67.5	-172.4	0	0	0	0	0	114.7	N345	N345-G347 VanDerWaalsContact C-N 3.33Å
348	S	29.2	Very low	52	Low	100 Å²	100	100.4 Å²	100.4	70%	0.699	60%	0.603	S	S	*	*			trans	-145.3	81.9	172.9	66.8	0	0	0	0	114.3	G346	G346-S348 PolarHBondContact O-N 3.27Å
349	S	28.6	Very low	49.2	Very low	119 Å²	119	104.9 Å²	104.9	83%	0.832	64%	0.635	S	S	*	*	S	Bend	trans	165.7	34.4	146.4	49.5	0	0	0	0	115.9
350	L	29	Very low	46.1	Very low	147 Å²	147	113.2 Å²	113.2	77%	0.77	68%	0.679	S	S	*	*	S	Bend	trans	-130.9	140.5	160.8	-85.4	103.7	0	0	0	112.1
351	F	29.5	Very low	43.5	Very low	196 Å²	196	115.3 Å²	115.3	86%	0.86	70%	0.702	S	S	*	*	S	Bend	trans	74.2	125.7	175.4	-56.3	-74.5	0	0	0	119.8
352	S	28.2	Very low	40.8	Very low	93 Å²	93	115.7 Å²	115.7	65%	0.65	71%	0.709	S	S	*	*			trans	88.9	107.4	150.6	-137.9	0	0	0	0	121.2
353	H	33.3	Very low	38.1	Very low	191 Å²	191	117.9 Å²	117.9	88%	0.884	72%	0.724	S	S	*	*			trans	64.8	153.4	158.5	-48.9	-18.5	0	0	0	116.7
354	G	27.1	Very low	35.5	Very low	64 Å²	64	123.6 Å²	123.6	66%	0.66	75%	0.754	S	S	*	*			cis	166.3	124.7	-9.6	0	0	0	0	0	112.1
355	C	29	Very low	33.6	Very low	128 Å²	128	126.8 Å²	126.8	87%	0.865	77%	0.765	S	S	*	*			trans	71.1	129.9	168.7	-61.6	0	0	0	0	120.6
356	S	32.9	Very low	32.1	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	78%	0.775	S	S	*	*			trans	80.8	83.7	139.3	-57.6	0	0	0	0	122.3
357	N	30.6	Very low	31.7	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	78%	0.782	S	S	*	*				56.7	138.5	120.8	-64.7	0.6	0	0	0	123.8
358	N	32.2	Very low	31.9	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	78%	0.783	S	S	*	*			trans	75.4	88.5	147.8	-64.8	-2.7	0	0	0	120.5
359	S	36.3	Very low	32.1	Very low	121 Å²	121	136 Å²	136	85%	0.846	78%	0.782	S	S	*	*				-150.4	124.3	117	61.6	0	0	0	0	111.1
360	L	30	Very low	32.3	Very low	175 Å²	175	135.5 Å²	135.5	92%	0.916	77%	0.774	S	S	*	*			trans	-85.4	127.9	173.1	-83.9	158.7	0	0	0	110.1
361	S	37	Very low	32.4	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	77%	0.774	S	S	*	*			trans	-148.1	113.4	164.8	-85.1	0	0	0	0	112.2
362	N	34.7	Very low	32.5	Very low	141 Å²	141	133 Å²	133	75%	0.754	77%	0.77	S	S	*	*			trans	-36.1	158.1	162.3	-65.8	-7.2	0	0	0	115.1
363	N	33.2	Very low	32.9	Very low	121 Å²	121	136.5 Å²	136.5	65%	0.647	78%	0.782	S	S	*	*			cis	-156.5	145.8	9.1	-127	2	0	0	0	114.3
364	I	31.6	Very low	32.9	Very low	135 Å²	135	135.1 Å²	135.1	69%	0.692	78%	0.775	S	S	*	*			trans	26.1	114.1	138.7	-56.1	165.4	0	0	0	117.8
365	N	33.9	Very low	33.1	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	79%	0.789	S	S	*	*			trans	-151.2	77.3	133.1	-132.6	-7	0	0	0	110.8
366	N	31.6	Very low	33.2	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	77%	0.773	S	S	*	*			trans	-140	119.5	178.6	-133.5	-6	0	0	0	107.8
367	N	36.7	Very low	33.2	Very low	124 Å²	124	141.4 Å²	141.4	66%	0.663	78%	0.781	S	S	*	*			trans	-158.2	111.2	-174.3	-130	-4.3	0	0	0	112	L369	N367-L369 VanDerWaalsContact OD1-CD1 3.29Å; N367-L369 WeakPolarHBondContact OD1-CD1 3.34Å; N367-L369 WeakPolarHBondContact OD1-CG 3.29Å
368	P	35.4	Very low	33.4	Very low	129 Å²	129	138 Å²	138	84%	0.838	78%	0.781	S	S	*	*			trans	-122.9	90.3	147.3	33.6	-22.5	0	0	0	109.4
369	L	32.5	Very low	33.6	Very low	133 Å²	133	136 Å²	136	70%	0.696	79%	0.786	S	S	*	*			trans	-96.5	123.2	177.5	-82.3	170.8	0	0	0	112.3	N367	N367-L369 VanDerWaalsContact OD1-CD1 3.29Å; N367-L369 WeakPolarHBondContact OD1-CD1 3.34Å; N367-L369 WeakPolarHBondContact OD1-CG 3.29Å
370	V	33.8	Very low	33.5	Very low	107 Å²	107	133.9 Å²	133.9	65%	0.648	78%	0.783	S	S	*	*			trans	63.2	91.2	133.9	-178.8	0	0	0	0	117.3
371	N	30.8	Very low	33.8	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	78%	0.78	S	S	*	*				24.5	103.9	112.8	-177	26.7	0	0	0	116.7
372	N	30.9	Very low	33.9	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	78%	0.779	S	S	*	*			trans	-145.2	102.2	159.1	-98.9	-48.4	0	0	0	109.9
373	N	38	Very low	33.9	Very low	166 Å²	166	130.2 Å²	130.2	89%	0.888	78%	0.776	S	S	*	*			trans	-155	124.8	147.2	-108.6	-31.6	0	0	0	110.1
374	H	31.7	Very low	34.1	Very low	163 Å²	163	130.8 Å²	130.8	76%	0.755	78%	0.783	S	S	*	*			trans	-107.2	107	-164.4	177.5	-78.3	0	0	0	110.5
375	L	31.4	Very low	34.4	Very low	179 Å²	179	131.8 Å²	131.8	94%	0.937	79%	0.79	S	S	*	*			trans	-116.9	130.6	169.8	-85.8	166.3	0	0	0	109.6
376	S	32.6	Very low	34.6	Very low	76 Å²	76	127.8 Å²	127.8	53%	0.531	78%	0.78	S	S	.	*			trans	-132.5	155.8	-167.8	61.3	0	0	0	0	113
377	L	32.5	Very low	34.8	Very low	174 Å²	174	128.1 Å²	128.1	91%	0.911	78%	0.781	S	S	*	*			trans	71.1	137.2	-177.6	-70.1	72.2	0	0	0	115.4
378	G	34.7	Very low	34.6	Very low	75 Å²	75	129.3 Å²	129.3	77%	0.773	79%	0.787	S	S	*	*			trans	-179	-48.2	-179.9	0	0	0	0	0	117
379	A	35.9	Very low	34.5	Very low	114 Å²	114	127.9 Å²	127.9	94%	0.942	78%	0.78	S	S	*	*			trans	63.2	153.6	179.2	0	0	0	0	0	118
380	G	34.4	Very low	34.6	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	78%	0.779	S	S	*	*			trans	146	49.4	171.2	0	0	0	0	0	120.4
381	I	35.7	Very low	34.5	Very low	165 Å²	165	128 Å²	128	85%	0.846	79%	0.79	S	S	*	*			trans	-64.9	169.1	180	-8.3	178.5	0	0	0	114
382	P	39	Very low	34.6	Very low	125 Å²	125	125.9 Å²	125.9	81%	0.812	79%	0.793	S	S	*	*				-135.2	-172.2	-75.2	43.1	-25.6	0	0	0	116.8
383	G	36	Very low	34.7	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	80%	0.799	S	S	*	*			trans	120	153.5	154.3	0	0	0	0	0	116.4
384	V	37.8	Very low	34.5	Very low	132 Å²	132	121 Å²	121	80%	0.8	80%	0.796	S	S	*	*			cis	-161.3	142.3	-1.5	-105.1	0	0	0	0	112
385	N	37.4	Very low	34.4	Very low	157 Å²	157	121.1 Å²	121.1	84%	0.84	80%	0.802	S	S	*	*			trans	53	159.3	149.7	-57.7	-11.3	0	0	0	121
386	A	37.8	Very low	34.5	Very low	80 Å²	80	120.1 Å²	120.1	66%	0.661	79%	0.792	S	S	*	*			cis	-158.7	152.9	11.9	0	0	0	0	0	114.9
387	L	35.7	Very low	34.5	Very low	158 Å²	158	123.5 Å²	123.5	83%	0.827	80%	0.804	S	S	*	*			trans	59.3	135.5	149.2	-55.7	168.4	0	0	0	120.1
388	N	33.8	Very low	34.6	Very low	148 Å²	148	119.5 Å²	119.5	79%	0.791	80%	0.796	S	S	*	*				61.6	141	51.6	-79.8	-2.2	0	0	0	115.1
389	S	32.8	Very low	34.5	Very low	100 Å²	100	119.9 Å²	119.9	70%	0.699	79%	0.792	S	S	*	*			cis	-169.2	-175.5	-15.4	64.1	0	0	0	0	107.7
390	S	34.2	Very low	34.4	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	79%	0.792	S	S	*	*			cis	-173.7	150.1	5.1	19.2	0	0	0	0	111.4
391	V	30.9	Very low	34.2	Very low	146 Å²	146	126.2 Å²	126.2	89%	0.885	79%	0.79	S	S	*	*			trans	41	121.4	149.2	-173.3	0	0	0	0	121.7
392	A	33.9	Very low	34.1	Very low	102 Å²	102	126.6 Å²	126.6	84%	0.843	79%	0.793	S	S	*	*			trans	-171.8	158.5	134.4	0	0	0	0	0	112.6
393	S	32.3	Very low	33.9	Very low	128 Å²	128	129.6 Å²	129.6	90%	0.895	80%	0.796	S	S	*	*			trans	-107.7	154.9	178.5	51.7	0	0	0	0	113.1
394	G	33.7	Very low	34.1	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	80%	0.798	S	S	*	*			trans	-165.1	150.4	173.4	0	0	0	0	0	111.8
395	L	30	Very low	34.1	Very low	166 Å²	166	130.3 Å²	130.3	87%	0.869	80%	0.8	S	S	*	*			trans	-121.6	176.5	-174.2	-155	78.2	0	0	0	110.7
396	E	33.8	Very low	33.9	Very low	157 Å²	157	127.4 Å²	127.4	73%	0.734	80%	0.797	S	S	*	*			trans	85.5	101.5	161.4	-54.7	-148.1	118.9	0	0	120
397	N	32.1	Very low	33.7	Very low	148 Å²	148	128.1 Å²	128.1	79%	0.791	80%	0.803	S	S	*	*				60.9	139.8	113.1	-77.3	-33	0	0	0	123.9
398	A	33.9	Very low	33.5	Very low	90 Å²	90	125.4 Å²	125.4	74%	0.744	80%	0.804	S	S	*	*			trans	81	94.2	138.5	0	0	0	0	0	121.3
399	A	34	Very low	33.4	Very low	83 Å²	83	123.2 Å²	123.2	69%	0.686	81%	0.806	S	S	*	*				91.7	129.7	112.7	0	0	0	0	0	121.6
400	R	32.7	Very low	33.5	Very low	251 Å²	251	123 Å²	123	95%	0.947	81%	0.811	S	S	*	*			trans	69.5	111.5	149.9	-65.5	166.4	179	149.5	-0.9	119.5
401	G	30.1	Very low	33.4	Very low	72 Å²	72	128 Å²	128	74%	0.742	82%	0.821	S	S	*	*				146.3	132.4	108.5	0	0	0	0	0	119.4
402	L	34.4	Very low	33.8	Very low	173 Å²	173	124.6 Å²	124.6	91%	0.906	82%	0.815	S	S	*	*			trans	66.6	90.9	141.2	-64.6	162.6	0	0	0	120.8
403	H	35.3	Very low	33.8	Very low	187 Å²	187	127.4 Å²	127.4	87%	0.866	82%	0.815	S	S	*	*				55.5	143.8	124.5	-114.2	-109.7	0	0	0	123
404	P	39.8	Very low	34	Very low	112 Å²	112	127 Å²	127	73%	0.727	81%	0.812	S	S	*	*			trans	-108.2	163.3	-171.6	41.2	-35	0	0	0	115.9
405	A	36.8	Very low	34.1	Very low	102 Å²	102	128.4 Å²	128.4	84%	0.843	82%	0.816	S	S	*	*			trans	-162.7	152.9	157.5	0	0	0	0	0	114.9
406	A	34.5	Very low	34.6	Very low	96 Å²	96	123.7 Å²	123.7	79%	0.793	81%	0.808	S	S	*	*			trans	76.3	120	146.4	0	0	0	0	0	124.2
407	A	34	Very low	34.7	Very low	95 Å²	95	123.4 Å²	123.4	79%	0.785	81%	0.81	S	S	*	*				74.5	89.2	125	0	0	0	0	0	123.7
408	A	31.3	Very low	34.8	Very low	102 Å²	102	125.5 Å²	125.5	84%	0.843	81%	0.813	S	S	*	*				51.1	139.5	111.1	0	0	0	0	0	125
409	A	31.8	Very low	35	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	81%	0.814	S	S	*	*			trans	92.2	107.5	140	0	0	0	0	0	122.7
410	A	35	Very low	35	Very low	96 Å²	96	127.7 Å²	127.7	79%	0.793	82%	0.817	S	S	*	*			trans	-160.4	113.2	139.2	0	0	0	0	0	107.7
411	F	31.5	Very low	35.2	Very low	202 Å²	202	120.4 Å²	120.4	89%	0.886	81%	0.811	S	S	*	*				70	122.7	72.8	-97.8	-72.4	0	0	0	117.1
412	G	38.8	Very low	35.6	Very low	73 Å²	73	122 Å²	122	75%	0.753	82%	0.817	S	S	*	*			trans	178	121.2	170.2	0	0	0	0	0	111.2
413	L	33.5	Very low	35.7	Very low	161 Å²	161	117.9 Å²	117.9	84%	0.843	82%	0.816	S	S	*	*			trans	-136.6	151.1	-174.4	-87.1	170.2	0	0	0	111.9
414	S	37.2	Very low	35.6	Very low	120 Å²	120	113.1 Å²	113.1	84%	0.839	82%	0.818	S	S	*	*			trans	-152.4	156.4	159.6	57.4	0	0	0	0	109.7
415	A	36.7	Very low	35.3	Very low	109 Å²	109	111.5 Å²	111.5	90%	0.901	82%	0.821	S	S	*	*			trans	-156.4	164.4	-157.7	0	0	0	0	0	116.3
416	G	40	Very low	35	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	83%	0.827	S	S	*	*			trans	149.9	164.2	154.1	0	0	0	0	0	115.4
417	L	35.3	Very low	35	Very low	150 Å²	150	112.6 Å²	112.6	79%	0.785	83%	0.828	S	S	*	*			cis	-169.1	132.9	-13.5	-105.8	166.9	0	0	0	109.8
418	F	35	Very low	34.9	Very low	193 Å²	193	116.9 Å²	116.9	85%	0.846	84%	0.837	S	S	*	*			trans	58.3	163.3	168.7	-72.2	-79	0	0	0	118.8
419	S	38	Very low	35	Very low	110 Å²	110	115.7 Å²	115.7	77%	0.769	84%	0.835	S	S	*	*			cis	-141.6	-176.1	8.4	-156.8	0	0	0	0	113.2
420	S	33.9	Very low	34.9	Very low	109 Å²	109	117.9 Å²	117.9	76%	0.762	84%	0.837	S	S	*	*			trans	-131.9	162.5	-171.4	65.3	0	0	0	0	115
421	A	37	Very low	35.1	Very low	97 Å²	97	117.1 Å²	117.1	80%	0.802	84%	0.839	S	S	*	*			trans	173.1	145.9	130.9	0	0	0	0	0	116.3
422	A	37.8	Very low	35.1	Very low	105 Å²	105	111.7 Å²	111.7	87%	0.868	83%	0.831	S	S	*	*			trans	70.8	118.8	143.2	0	0	0	0	0	124.5
423	G	35.8	Very low	35.1	Very low	87 Å²	87	116.4 Å²	116.4	90%	0.897	84%	0.839	S	S	*	*			trans	92.8	136.9	144.9	0	0	0	0	0	118
424	G	34.4	Very low	35.1	Very low	87 Å²	87	113.7 Å²	113.7	90%	0.897	83%	0.834	S	S	*	*			cis	154.7	135.8	-10.5	0	0	0	0	0	113.3
425	G	33.6	Very low	35.1	Very low	78 Å²	78	115.4 Å²	115.4	80%	0.804	83%	0.833	S	S	*	*			trans	133.9	139.2	171.2	0	0	0	0	0	115
426	C	29.5	Very low	35.3	Very low	142 Å²	142	115.3 Å²	115.3	96%	0.959	82%	0.823	S	S	*	*			trans	-125.7	156.7	-175.5	-59.2	0	0	0	0	111.9
427	G	34.9	Very low	35.1	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	83%	0.831	S	S	*	*			trans	-170.7	109.2	170.4	0	0	0	0	0	113
428	L	30.8	Very low	35.4	Very low	184 Å²	184	119.9 Å²	119.9	96%	0.963	83%	0.829	S	S	*	*			trans	-109.2	143.4	170.4	-89.5	166	0	0	0	109.5
429	G	34.6	Very low	35.6	Very low	78 Å²	78	114.8 Å²	114.8	80%	0.804	82%	0.823	S	S	*	*			trans	-151.7	118.3	174.8	0	0	0	0	0	111
430	V	30.5	Very low	35.6	Very low	146 Å²	146	116.9 Å²	116.9	89%	0.885	83%	0.826	S	S	*	*			trans	-109.6	133.3	173.7	175.5	0	0	0	0	108
431	G	37.6	Very low	35.8	Very low	81 Å²	81	118 Å²	118	84%	0.835	82%	0.823	S	S	*	*			trans	-139.5	113.1	174.5	0	0	0	0	0	110.2
432	A	31.7	Very low	36	Very low	87 Å²	87	121.3 Å²	121.3	72%	0.719	83%	0.825	S	S	*	*			trans	-108.3	149.7	170.9	0	0	0	0	0	109.4
433	N	39.2	Very low	35.9	Very low	172 Å²	172	120 Å²	120	92%	0.92	82%	0.822	S	S	*	*			trans	-157.7	147.6	149.7	-103	-29.3	0	0	0	110.6
434	S	33	Very low	36	Very low	104 Å²	104	119.9 Å²	119.9	73%	0.727	82%	0.82	S	S	*	*			trans	-102.8	165.8	-179.1	53.2	0	0	0	0	111.4
435	L	37.9	Very low	36.2	Very low	156 Å²	156	121.9 Å²	121.9	82%	0.817	82%	0.821	S	S	*	*			trans	-177.4	129.6	139.4	-101.6	170.2	0	0	0	110.6
436	P	39.8	Very low	36.5	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	82%	0.82	S	S	*	*			trans	-109.9	154.1	173.7	38.2	-30.5	0	0	0	113.2
437	F	36.9	Very low	36.9	Very low	197 Å²	197	123.3 Å²	123.3	86%	0.864	82%	0.817	S	S	*	*			trans	-145.6	145.7	164.6	-95.1	-79.7	0	0	0	112.2
438	P	41.2	Very low	37.1	Very low	116 Å²	116	122.4 Å²	122.4	75%	0.753	81%	0.808	S	S	*	*			trans	-123.6	-173.7	-170.5	44.5	-33.1	0	0	0	115.8
439	A	38.5	Very low	37.4	Very low	87 Å²	87	121.7 Å²	121.7	72%	0.719	80%	0.804	S	S	*	*			trans	84.3	113.2	153	0	0	0	0	0	120.6
440	N	39.6	Very low	37.6	Very low	153 Å²	153	122.6 Å²	122.6	82%	0.818	80%	0.798	S	S	*	*			trans	171.8	151.1	138.8	-92.2	-12.1	0	0	0	109.7
441	L	38.3	Very low	37.8	Very low	134 Å²	134	123.3 Å²	123.3	70%	0.702	80%	0.797	S	S	*	*			cis	-163.8	136.8	-27.2	-161.5	91.4	0	0	0	108.6
442	I	40.2	Very low	37.8	Very low	165 Å²	165	123.6 Å²	123.6	85%	0.846	79%	0.791	S	S	*	*			trans	45.3	129.1	157.8	-68.6	167.7	0	0	0	121
443	G	36.8	Very low	38	Very low	78 Å²	78	123.5 Å²	123.5	80%	0.804	80%	0.799	S	S	*	*			trans	133.1	129	131.5	0	0	0	0	0	118.7
444	G	37.7	Very low	37.8	Very low	84 Å²	84	119.3 Å²	119.3	87%	0.866	80%	0.796	S	S	*	*			trans	116.3	104.5	160.4	0	0	0	0	0	116.2
445	S	37.9	Very low	37.8	Very low	129 Å²	129	118.4 Å²	118.4	90%	0.902	80%	0.803	S	S	*	*			trans	-96.7	142.6	177.5	-52.6	0	0	0	0	112.8
446	G	40.1	Very low	37.6	Very low	77 Å²	77	114.9 Å²	114.9	79%	0.794	81%	0.805	S	S	*	*			trans	-165.3	141.5	170.7	0	0	0	0	0	110.4
447	I	38.6	Very low	37.3	Very low	173 Å²	173	116.9 Å²	116.9	89%	0.887	81%	0.808	S	S	*	*			trans	-134.7	135	-161.9	-45.9	176.6	0	0	0	111.9
448	G	37.8	Very low	37.1	Very low	62 Å²	62	116 Å²	116	64%	0.639	81%	0.811	S	S	*	*			trans	138.4	112	174.3	0	0	0	0	0	110.2
449	L	37.6	Very low	36.8	Very low	168 Å²	168	116.1 Å²	116.1	88%	0.88	81%	0.81	S	S	*	*				58.2	123.3	55.6	-59.4	165.7	0	0	0	112.4
450	S	37.8	Very low	36.6	Very low	97 Å²	97	119.6 Å²	119.6	68%	0.678	82%	0.817	S	S	*	*			cis	-169.4	152	-3.3	51.8	0	0	0	0	112.5
451	N	35.4	Very low	36.5	Very low	161 Å²	161	117.2 Å²	117.2	86%	0.861	81%	0.812	S	S	*	*			trans	63.1	156.8	163.9	-77.7	4.5	0	0	0	119.2
452	A	38.1	Very low	36.1	Very low	87 Å²	87	115 Å²	115	72%	0.719	82%	0.822	S	S	*	*			cis	-167.5	141.4	-29.4	0	0	0	0	0	110.5
453	G	36.2	Very low	35.6	Very low	85 Å²	85	109.9 Å²	109.9	88%	0.876	81%	0.81	S	S	*	*			trans	83.5	140.9	170.8	0	0	0	0	0	115.4
454	G	34.2	Very low	35.5	Very low	84 Å²	84	112.9 Å²	112.9	87%	0.866	82%	0.815	S	S	*	*			cis	165.7	129.3	-11.1	0	0	0	0	0	113.4
455	G	33.7	Very low	35.3	Very low	85 Å²	85	114.4 Å²	114.4	88%	0.876	81%	0.808	S	S	*	*			trans	119.9	106.5	162.9	0	0	0	0	0	117.5
456	G	32.6	Very low	35	Very low	82 Å²	82	115.3 Å²	115.3	85%	0.845	81%	0.808	S	S	*	*			trans	81.2	70.9	135.2	0	0	0	0	0	119.9
457	I	33.5	Very low	34.8	Very low	150 Å²	150	118.4 Å²	118.4	77%	0.769	81%	0.805	S	S	*	*			trans	-104.5	123.1	149.9	-64.8	178.5	0	0	0	108.7	T459	I457-T459 HydrophobicContact CG2-CG2 4.24Å
458	L	33.5	Very low	34.8	Very low	178 Å²	178	115.6 Å²	115.6	93%	0.932	80%	0.798	S	S	*	*			trans	-128.5	90.5	161.8	-77.9	178.6	0	0	0	109.6
459	T	34.4	Very low	34.7	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	81%	0.807	S	S	*	*			trans	-76	122.9	157.9	46.7	0	0	0	0	108.5	I457	I457-T459 HydrophobicContact CG2-CG2 4.24Å
460	N	34.1	Very low	35	Very low	159 Å²	159	117 Å²	117	85%	0.85	81%	0.805	S	S	*	*			trans	-104.6	123.5	166.9	-163.9	23.4	0	0	0	109.8
461	S	38.7	Very low	35.5	Very low	103 Å²	103	117.7 Å²	117.7	72%	0.72	81%	0.807	S	S	*	*			trans	-76.8	155.4	176.2	39.5	0	0	0	0	111.2
462	G	29.3	Very low	36.3	Very low	88 Å²	88	115.3 Å²	115.3	91%	0.907	80%	0.8	S	S	*	*			trans	-77.8	134.1	180	0	0	0	0	0	112.8
463	G	30.4	Very low	37.3	Very low	58 Å²	58	116.6 Å²	116.6	60%	0.598	80%	0.801	S	S	*	*			trans	-149.7	135.3	165.9	0	0	0	0	0	109	T465	G463-T465 PolarHBondContact O-N 3.4Å
464	P	32.9	Very low	37.7	Very low	140 Å²	140	118 Å²	118	91%	0.909	80%	0.795	S	S	*	*			trans	-79.8	119.1	-169.8	30.2	-33.7	0	0	0	111.9
465	T	34.4	Very low	37.7	Very low	117 Å²	117	119 Å²	119	72%	0.718	80%	0.795	S	S	*	*			trans	-120.7	119.4	168.5	46.9	0	0	0	0	110.9	G463 I467	G463-T465 PolarHBondContact O-N 3.4Å; T465-I467 PolarHBondContact O-N 3.28Å
466	T	30.7	Very low	37.9	Very low	147 Å²	147	121.5 Å²	121.5	90%	0.902	79%	0.793	S	S	*	*			trans	-68.7	122	168.2	45.8	0	0	0	0	109.6
467	I	37.8	Very low	37.9	Very low	142 Å²	142	121.5 Å²	121.5	73%	0.728	79%	0.785	S	S	*	*			trans	-117.8	137.9	174.4	-62.4	180	0	0	0	108.1	T465	T465-I467 PolarHBondContact O-N 3.28Å
468	P	37.4	Very low	37.6	Very low	114 Å²	114	119.9 Å²	119.9	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.4	158.7	-174.2	-23.5	34.9	0	0	0	114.4	L470	P468-L470 PolarHBondContact O-N 3.16Å
469	A	36.8	Very low	37.3	Very low	101 Å²	101	115.7 Å²	115.7	84%	0.835	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.6	131.8	178.1	0	0	0	0	0	112.2
470	L	43.3	Very low	37	Very low	159 Å²	159	115 Å²	115	83%	0.832	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.1	147.3	162.2	-105.6	69.2	0	0	0	109.8	P468	P468-L470 PolarHBondContact O-N 3.16Å
471	P	47.3	Very low	36.8	Very low	112 Å²	112	112.5 Å²	112.5	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.1	154.8	173.3	29	-35	0	0	0	111.3
472	P	53.7	Low	36.3	Very low	111 Å²	111	111.9 Å²	111.9	72%	0.721	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.1	156.1	174.4	28.7	-35.5	0	0	0	111.4
473	P	58.9	Low	36.3	Very low	113 Å²	113	116.7 Å²	116.7	73%	0.734	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.7	149.7	170.7	28.1	-35.2	0	0	0	110.5	A475	P473-A475 PolarHBondContact O-N 2.69Å
474	P	44.9	Very low	36.6	Very low	115 Å²	115	122.6 Å²	122.6	75%	0.747	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-62.3	136.8	-179.5	26.5	-34.5	0	0	0	110.9	V476	P474-V476 VanDerWaalsContact C-N 3.35Å; P474-V476 PolarHBondContact O-N 3.48Å
475	A	33.5	Very low	36.6	Very low	106 Å²	106	121.2 Å²	121.2	88%	0.876	81%	0.81	S	S	*	*			trans	-70.4	89.8	173.1	0	0	0	0	0	110	P473 A477	P473-A475 PolarHBondContact O-N 2.69Å; A475-A477 PolarHBondContact O-N 2.96Å
476	V	37.3	Very low	36.3	Very low	136 Å²	136	119 Å²	119	82%	0.824	81%	0.811	S	S	*	*			trans	-64.8	126.9	170.9	-178.6	0	0	0	0	108.3	P474	P474-V476 VanDerWaalsContact C-N 3.35Å; P474-V476 PolarHBondContact O-N 3.48Å
477	A	32.2	Very low	36.7	Very low	82 Å²	82	120.1 Å²	120.1	68%	0.678	81%	0.81	S	S	*	*			trans	-67.1	134.1	-163.1	0	0	0	0	0	113.8	A475 A479	A475-A477 PolarHBondContact O-N 2.96Å; A477-A479 VanDerWaalsContact C-N 3.29Å; A477-A479 HydrophobicContact CB-CB 4.34Å; A477-A479 PolarHBondContact O-N 3.34Å
478	A	27.7	Very low	36.6	Very low	117 Å²	117	118.7 Å²	118.7	97%	0.967	81%	0.81	S	S	*	*	S	Bend	trans	-73.2	80.4	168.4	0	0	0	0	0	110.4
479	A	26.9	Very low	36.5	Very low	89 Å²	89	119.3 Å²	119.3	74%	0.736	81%	0.814	S	S	*	*			trans	-146.1	33.1	-172.4	0	0	0	0	0	114.3	A477	A477-A479 VanDerWaalsContact C-N 3.29Å; A477-A479 HydrophobicContact CB-CB 4.34Å; A477-A479 PolarHBondContact O-N 3.34Å
480	A	28.7	Very low	36.5	Very low	106 Å²	106	121.4 Å²	121.4	88%	0.876	82%	0.816	S	S	*	*	S	Bend	trans	-148.2	37.4	-176.7	0	0	0	0	0	115
481	A	30.1	Very low	36.1	Very low	106 Å²	106	119.2 Å²	119.2	88%	0.876	81%	0.814	S	S	*	*			trans	-142.6	47.4	-177.5	0	0	0	0	0	113.2
482	A	27.7	Very low	35.3	Very low	90 Å²	90	118 Å²	118	74%	0.744	81%	0.814	S	S	*	*			trans	-135.3	41.3	-171.7	0	0	0	0	0	114.6
483	H	30.4	Very low	34.3	Very low	190 Å²	190	123 Å²	123	88%	0.88	82%	0.82	S	S	*	*	S	Bend	trans	-170.6	96.3	157.3	-97.4	-62	0	0	0	110.8
484	L	36.4	Very low	32.9	Very low	181 Å²	181	121.3 Å²	121.3	95%	0.948	82%	0.815	S	S	*	*			trans	177.7	65.7	153.8	-101.7	163.7	0	0	0	110.2
485	A	32.3	Very low	32.2	Very low	112 Å²	112	123.2 Å²	123.2	93%	0.926	82%	0.819	S	S	*	*			trans	-83.8	122	171.1	0	0	0	0	0	109.4
486	G	27.7	Very low	32.1	Very low	71 Å²	71	127.9 Å²	127.9	73%	0.732	82%	0.82	S	S	*	*			trans	-177	8.9	-173.8	0	0	0	0	0	119.6
487	L	39	Very low	31.6	Very low	170 Å²	170	131 Å²	131	89%	0.89	82%	0.823	S	S	*	*	S	Bend	trans	-137.8	147.1	172.8	-73.5	177.6	0	0	0	111.2
488	P	37.6	Very low	32.3	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78.6	152.5	-174.8	32.3	-35.8	0	0	0	112.8
489	P	34.2	Very low	32.6	Very low	127 Å²	127	132.9 Å²	132.9	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76	136	179.9	31	-34.6	0	0	0	112.3
490	V	38	Very low	32.9	Very low	146 Å²	146	132.1 Å²	132.1	89%	0.885	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.9	135.1	158.2	-177.7	0	0	0	0	107.5
491	S	34.9	Very low	33.1	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.6	-161.8	-168	0	0	0	0	114.3
492	A	28.7	Very low	33.2	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	81%	0.813	S	S	*	*			trans	-140.1	69.4	174.2	0	0	0	0	0	112
493	Y	34.2	Very low	33.6	Very low	216 Å²	216	135.3 Å²	135.3	85%	0.847	82%	0.82	S	S	*	*			trans	-140	116.7	162	-85.6	-92.4	0	0	0	107
494	A	29.7	Very low	33.7	Very low	77 Å²	77	129.7 Å²	129.7	64%	0.636	81%	0.814	S	S	*	*				83.7	119	56.1	0	0	0	0	0	113.7
495	N	28.9	Very low	33.7	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	82%	0.815	S	S	*	*			trans	40.3	104	160.4	-61.9	-14.6	0	0	0	119.1
496	F	31.4	Very low	33.6	Very low	204 Å²	204	127.9 Å²	127.9	90%	0.895	81%	0.806	S	S	*	*			trans	-133.3	103.2	155.9	-116.1	-89.7	0	0	0	112
497	F	27.8	Very low	34	Very low	200 Å²	200	132.9 Å²	132.9	88%	0.877	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-89.7	126.2	161.1	-92	-92.4	0	0	0	108.8
498	P	45.3	Very low	34.1	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-92.2	119.2	166.7	32.4	-28.2	0	0	0	110.9
499	P	35.7	Very low	34	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.3	134.2	158.8	30.9	-31.8	0	0	0	108.9
500	G	31.8	Very low	34.9	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-92.2	172.2	-173.7	0	0	0	0	0	114.6
501	L	33.1	Very low	35.5	Very low	173 Å²	173	131.1 Å²	131.1	91%	0.906	81%	0.807	S	S	*	*			trans	-157.6	129.1	159.4	-115.5	168.2	0	0	0	113
502	A	33.6	Very low	35.8	Very low	88 Å²	88	131.9 Å²	131.9	73%	0.727	81%	0.809	S	S	*	*			trans	59.7	131.7	149.5	0	0	0	0	0	123.7
503	A	35.4	Very low	36.8	Very low	108 Å²	108	136.9 Å²	136.9	89%	0.893	82%	0.817	S	S	*	*			trans	83.7	121.9	138	0	0	0	0	0	121.3
504	G	33	Very low	36.8	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	81%	0.814	S	S	*	*			trans	136.7	85.2	148.9	0	0	0	0	0	117.2
505	L	36.4	Very low	37.1	Very low	184 Å²	184	132.3 Å²	132.3	96%	0.963	82%	0.824	S	S	*	*			trans	41.5	128.5	147.2	-51.6	175.3	0	0	0	119.7
506	G	29.4	Very low	37.5	Very low	72 Å²	72	130.8 Å²	130.8	74%	0.742	83%	0.825	S	S	*	*			cis	132.6	66.3	3.9	0	0	0	0	0	114
507	L	36.6	Very low	37.6	Very low	175 Å²	175	129 Å²	129	92%	0.916	82%	0.824	S	S	*	*			trans	-141.5	143.1	166.6	-75.9	179.4	0	0	0	111.1
508	P	39.6	Very low	38	Very low	122 Å²	122	124.5 Å²	124.5	79%	0.792	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-96.7	158.8	-173	37.3	-35.8	0	0	0	115
509	L	36.3	Very low	37.4	Very low	168 Å²	168	122.5 Å²	122.5	88%	0.88	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.1	146.9	165.8	-75	165.2	0	0	0	111.1
510	P	54.2	Low	37.4	Very low	116 Å²	116	122.8 Å²	122.8	75%	0.753	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.3	147.1	175.1	33.9	-34	0	0	0	113
511	P	49.4	Very low	37.6	Very low	112 Å²	112	125.9 Å²	125.9	73%	0.727	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.6	162.4	173.6	35.4	-35.2	0	0	0	113
512	P	42.2	Very low	37.8	Very low	128 Å²	128	121.4 Å²	121.4	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.7	151.5	-179.2	33.7	-35.6	0	0	0	113.6
513	H	48	Very low	37.9	Very low	193 Å²	193	122.6 Å²	122.6	89%	0.894	83%	0.826	S	S	*	*			trans	-104.6	150.1	171	-95.2	-87.8	0	0	0	112.2
514	A	35.2	Very low	38	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	83%	0.826	S	S	*	*			trans	-141.7	159.5	173.8	0	0	0	0	0	111.6
515	A	36.6	Very low	38.3	Very low	102 Å²	102	126.3 Å²	126.3	84%	0.843	83%	0.833	S	S	*	*			trans	62.5	115.9	169.1	0	0	0	0	0	119.2
516	S	35.9	Very low	38.3	Very low	122 Å²	122	120.6 Å²	120.6	85%	0.853	82%	0.818	S	S	*	*				-164.6	169.7	111.2	-161	0	0	0	0	111
517	L	33.8	Very low	38.7	Very low	167 Å²	167	123.8 Å²	123.8	87%	0.874	82%	0.824	S	S	*	*			trans	-122.8	162.1	-172.7	-95	152.3	0	0	0	112.5
518	A	37.2	Very low	38.9	Very low	106 Å²	106	120.9 Å²	120.9	88%	0.876	81%	0.813	S	S	*	*			trans	67.2	150.6	175.8	0	0	0	0	0	116.9
519	G	32.3	Very low	38.8	Very low	69 Å²	69	121.8 Å²	121.8	71%	0.711	82%	0.817	S	S	*	*			cis	160.1	165.5	-9.6	0	0	0	0	0	113.8
520	V	36.2	Very low	39	Very low	133 Å²	133	117.2 Å²	117.2	81%	0.806	81%	0.811	S	S	*	*			trans	81.5	91.3	160.6	-173.2	0	0	0	0	119.3
521	T	34.9	Very low	38.2	Very low	138 Å²	138	117.3 Å²	117.3	85%	0.847	81%	0.814	S	S	*	*			trans	62	134.7	137	64.3	0	0	0	0	124.7
522	G	38.1	Very low	37.7	Very low	80 Å²	80	117 Å²	117	83%	0.825	82%	0.815	S	S	*	*			trans	123.3	146.6	142.4	0	0	0	0	0	117.1
523	S	34.6	Very low	37.6	Very low	112 Å²	112	117.5 Å²	117.5	78%	0.783	82%	0.815	S	S	*	*				-168	161	-57.5	-168.1	0	0	0	0	109.4
524	L	38	Very low	37.2	Very low	172 Å²	172	113.4 Å²	113.4	90%	0.901	81%	0.808	S	S	*	*			trans	77.6	129.5	165.1	-62.3	165.3	0	0	0	121.7
525	G	38.9	Very low	37.3	Very low	86 Å²	86	113.9 Å²	113.9	89%	0.887	81%	0.812	S	S	*	*			trans	89.6	133	153.9	0	0	0	0	0	117.7
526	G	36.1	Very low	37.5	Very low	64 Å²	64	114.1 Å²	114.1	66%	0.66	81%	0.814	S	S	*	*			cis	162.8	147.8	-10.9	0	0	0	0	0	113.1
527	T	38.3	Very low	37.5	Very low	139 Å²	139	114.5 Å²	114.5	85%	0.853	82%	0.817	S	S	*	*			trans	64.3	148.1	169.6	55.4	0	0	0	0	117.8
528	T	40.9	Very low	37.8	Very low	114 Å²	114	110.4 Å²	110.4	70%	0.699	82%	0.815	S	S	*	*			cis	-161.1	143	-0.7	12.8	0	0	0	0	113.7
529	T	38	Very low	37.8	Very low	142 Å²	142	112.4 Å²	112.4	87%	0.871	81%	0.811	S	S	*	*			trans	59.9	133.4	144.3	55.7	0	0	0	0	124.9
530	G	40	Very low	38	Very low	72 Å²	72	115.1 Å²	115.1	74%	0.742	82%	0.817	S	S	*	*			trans	136.5	140.1	146.2	0	0	0	0	0	116.9
531	S	38	Very low	38	Very low	117 Å²	117	113.8 Å²	113.8	82%	0.818	81%	0.81	S	S	*	*				-168.9	112.7	-104.3	53.8	0	0	0	0	115.2
532	S	39.5	Very low	38.1	Very low	107 Å²	107	113.9 Å²	113.9	75%	0.748	81%	0.805	S	S	*	*			trans	-173.6	124.6	163.4	40.3	0	0	0	0	109.3
533	T	39.7	Very low	38.2	Very low	137 Å²	137	117.6 Å²	117.6	84%	0.84	81%	0.806	S	S	*	*				60.7	132.6	68.3	65.6	0	0	0	0	113.9
534	S	38.7	Very low	38.1	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	81%	0.806	S	S	*	*			cis	-159.2	132.7	11.6	46.3	0	0	0	0	110
535	A	38.5	Very low	38.2	Very low	104 Å²	104	116.6 Å²	116.6	86%	0.86	81%	0.808	S	S	*	*				75	119.5	84.6	0	0	0	0	0	117.2
536	A	39.4	Very low	38	Very low	107 Å²	107	118.4 Å²	118.4	88%	0.884	81%	0.806	S	S	*	*			trans	-162.4	146.8	152.1	0	0	0	0	0	109.2
537	S	37.3	Very low	38.5	Very low	130 Å²	130	119.1 Å²	119.1	91%	0.909	81%	0.814	S	S	*	*			trans	-149.1	148	-173.6	56.6	0	0	0	0	112.7
538	G	39.5	Very low	38.4	Very low	81 Å²	81	118.7 Å²	118.7	84%	0.835	82%	0.817	S	S	*	*			trans	-147.6	127.2	171.6	0	0	0	0	0	110.5
539	N	36.2	Very low	38.4	Very low	149 Å²	149	117.4 Å²	117.4	80%	0.797	83%	0.826	S	S	*	*			trans	-147.1	138	-172.9	-179.8	39.4	0	0	0	109.5
540	C	37.6	Very low	38.3	Very low	125 Å²	125	114 Å²	114	85%	0.845	82%	0.819	S	S	*	*			trans	-166.7	134.1	162.8	-119	0	0	0	0	111.6
541	T	35.5	Very low	38.3	Very low	106 Å²	106	120 Å²	120	65%	0.65	83%	0.828	S	S	*	*			trans	-122.3	157.8	172.7	52.6	0	0	0	0	109.5
542	N	37.2	Very low	38.1	Very low	139 Å²	139	120.6 Å²	120.6	74%	0.743	83%	0.826	S	S	*	*				167.9	154.6	119.7	-85.4	-7.7	0	0	0	115.7
543	N	39.3	Very low	38.2	Very low	158 Å²	158	122 Å²	122	85%	0.845	83%	0.83	S	S	*	*			trans	75.5	147.7	150.1	-76.3	11.7	0	0	0	121.7
544	S	34	Very low	38.1	Very low	112 Å²	112	120.3 Å²	120.3	78%	0.783	82%	0.824	S	S	*	*			trans	-137.5	155	-172.7	49.1	0	0	0	0	109.3
545	T	40.4	Very low	38.1	Very low	152 Å²	152	120.6 Å²	120.6	93%	0.933	83%	0.826	S	S	*	*			trans	-150	152.9	166.4	6.2	0	0	0	0	110.5
546	S	35	Very low	38.5	Very low	123 Å²	123	121 Å²	121	86%	0.86	82%	0.82	S	S	*	*			trans	-94.7	150.2	-168.1	52.9	0	0	0	0	114.7
547	G	45.1	Very low	38.3	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	82%	0.818	S	S	*	*			trans	-139.7	146	161.6	0	0	0	0	0	110
548	S	36.3	Very low	38.4	Very low	131 Å²	131	121.4 Å²	121.4	92%	0.916	81%	0.813	S	S	*	*			trans	-139.4	147.8	-162.3	53.6	0	0	0	0	115
549	G	41.3	Very low	38.4	Very low	86 Å²	86	122.7 Å²	122.7	89%	0.887	82%	0.816	S	S	*	*			trans	111.6	138.7	172	0	0	0	0	0	114
550	G	35.9	Very low	38.3	Very low	71 Å²	71	122.1 Å²	122.1	73%	0.732	82%	0.818	S	S	*	*			cis	144	117.1	-14.7	0	0	0	0	0	114.7
551	Q	39.1	Very low	38.2	Very low	199 Å²	199	122.2 Å²	122.2	93%	0.93	82%	0.82	S	S	*	*			trans	-168.2	162.5	149.1	-113.7	175.9	72.2	0	0	111.4
552	T	34.2	Very low	38.1	Very low	128 Å²	128	120.5 Å²	120.5	79%	0.785	82%	0.823	S	S	*	*			trans	-150.2	133.8	-160.2	51.4	0	0	0	0	114.2
553	V	41.5	Very low	37.7	Very low	138 Å²	138	120 Å²	120	84%	0.836	83%	0.83	S	S	*	*			trans	-148.5	112.6	158.2	-160.7	0	0	0	0	104.7
554	S	37.9	Very low	37.5	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	83%	0.831	S	S	*	*				67.3	133.2	64.7	-55.6	0	0	0	0	112.3
555	S	39.5	Very low	37.5	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	83%	0.83	S	S	*	*			cis	-155.7	172.3	0.8	-98.7	0	0	0	0	111.2
556	P	46.9	Very low	37.1	Very low	113 Å²	113	117.3 Å²	117.3	73%	0.734	82%	0.823	S	S	*	*			trans	-113.9	-179.6	-157.6	42.6	-36.1	0	0	0	116.1
557	S	33.7	Very low	37	Very low	121 Å²	121	118.6 Å²	118.6	85%	0.846	83%	0.825	S	S	*	*			trans	-156.5	128.7	147.5	-79.5	0	0	0	0	111.6
558	P	40.3	Very low	36.5	Very low	125 Å²	125	119.4 Å²	119.4	81%	0.812	82%	0.819	S	S	*	*			trans	-103.6	164.4	-179.8	38.9	-34	0	0	0	113.8
559	A	40	Very low	36.2	Very low	107 Å²	107	119.2 Å²	119.2	88%	0.884	82%	0.818	S	S	*	*			trans	-136.6	132.3	163.3	0	0	0	0	0	110.4
560	T	33.5	Very low	35.8	Very low	137 Å²	137	119.7 Å²	119.7	84%	0.84	81%	0.807	S	S	*	*			trans	-101.2	145.1	-174.1	49.1	0	0	0	0	112.9
561	S	35.9	Very low	35.7	Very low	127 Å²	127	122 Å²	122	89%	0.888	81%	0.807	S	S	*	*				163	157.2	119.6	-168.2	0	0	0	0	112.6
562	G	33.6	Very low	35.6	Very low	70 Å²	70	121.5 Å²	121.5	72%	0.722	80%	0.802	S	S	*	*			trans	102.7	92.6	157	0	0	0	0	0	117
563	C	29.3	Very low	35.8	Very low	130 Å²	130	122.9 Å²	122.9	88%	0.878	81%	0.805	S	S	*	*			trans	-100.9	133	169.1	-56.8	0	0	0	0	111.6
564	I	33.3	Very low	35.8	Very low	170 Å²	170	120.4 Å²	120.4	87%	0.872	79%	0.794	S	S	*	*			trans	-139.8	122.8	152.7	-57.8	-177.9	0	0	0	108
565	P	34	Very low	36	Very low	118 Å²	118	121 Å²	121	77%	0.766	79%	0.793	S	S	*	*			trans	-99.5	149.5	176.5	36.3	-31.8	0	0	0	113.2
566	G	32.2	Very low	36	Very low	76 Å²	76	123.6 Å²	123.6	78%	0.784	79%	0.792	S	S	*	*			trans	89.8	99.4	150.1	0	0	0	0	0	118.5
567	V	33.1	Very low	35.8	Very low	150 Å²	150	122 Å²	122	91%	0.909	79%	0.788	S	S	*	*			trans	-133.6	136.2	142.4	-178.7	0	0	0	0	107.6
568	S	34.4	Very low	36.2	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	79%	0.786	S	S	*	*			trans	-76.3	147.4	-178.2	49.3	0	0	0	0	113.1	S570	S568-S570 PolarHBondContact O-N 3.35Å; S568-S570 VanDerWaalsContact O-N 3.14Å
569	S	30.4	Very low	36.2	Very low	128 Å²	128	127 Å²	127	90%	0.895	78%	0.782	S	S	*	*	S	Bend	trans	-74.3	95.4	178.1	53.6	0	0	0	0	112.6
570	S	33.2	Very low	36.3	Very low	95 Å²	95	125.4 Å²	125.4	66%	0.664	77%	0.768	S	S	*	*			trans	-153.9	41	175	67.6	0	0	0	0	114.8	S568	S568-S570 PolarHBondContact O-N 3.35Å; S568-S570 VanDerWaalsContact O-N 3.14Å
571	T	34.2	Very low	36.6	Very low	120 Å²	120	122 Å²	122	74%	0.736	75%	0.754	S	S	*	*			trans	-150.7	92.1	174.7	36.1	0	0	0	0	111.9
572	F	36.1	Very low	36.8	Very low	189 Å²	189	119.1 Å²	119.1	83%	0.829	74%	0.738	S	S	*	*	S	Bend	trans	-130.3	-26.5	166	-109.7	-88.3	0	0	0	113.8	S574	F572-S574 VanDerWaalsContact C-N 3.28Å; F572-S574 PolarHBondContact O-N 3.43Å
573	D	39.3	Very low	37.2	Very low	156 Å²	156	119.5 Å²	119.5	83%	0.834	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-10.7	-176.1	-50.9	-71.9	0	0	0	115.3
574	S	40.3	Very low	37.7	Very low	87 Å²	87	117.9 Å²	117.9	61%	0.608	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-21.2	-169.7	-167.7	0	0	0	0	114.9	F572	F572-S574 VanDerWaalsContact C-N 3.28Å; F572-S574 PolarHBondContact O-N 3.43Å
575	V	41.9	Very low	37.9	Very low	113 Å²	113	116.3 Å²	116.3	69%	0.685	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-37.5	-168.6	-176.9	0	0	0	0	112.9	A577 R578	V575-A577 VanDerWaalsContact C-N 3.3Å; V575-A577 PolarHBondContact O-N 3.26Å; V575-R578 PolarHBondContact O-N 3.43Å
576	H	41	Very low	38.2	Very low	168 Å²	168	117 Å²	117	78%	0.778	72%	0.719	S	S	*	*	H	α-helix	trans	-62.8	-35.5	-179.1	-99.7	83.8	0	0	0	113	R578 L579	H576-R578 PolarHBondContact O-N 2.82Å; H576-R578 VanDerWaalsContact O-N 3.11Å; H576-L579 PolarHBondContact O-N 3.01Å
577	A	43.3	Very low	38.7	Very low	78 Å²	78	117.9 Å²	117.9	65%	0.645	72%	0.719	S	S	*	*	H	α-helix	trans	-63.9	-15.8	-177.9	0	0	0	0	0	114.9	V575	V575-A577 VanDerWaalsContact C-N 3.3Å; V575-A577 PolarHBondContact O-N 3.26Å
578	R	40.8	Very low	39.1	Very low	214 Å²	214	114.9 Å²	114.9	81%	0.808	71%	0.705	S	S	*	*	H	α-helix	trans	-105.8	-15.9	-177.7	-72	-170.8	172.6	-163.2	-2.2	115.2	V575 H576	V575-R578 PolarHBondContact O-N 3.43Å; H576-R578 PolarHBondContact O-N 2.82Å; H576-R578 VanDerWaalsContact O-N 3.11Å
579	L	40.7	Very low	39	Very low	139 Å²	139	114 Å²	114	73%	0.728	71%	0.711	S	S	*	*	H	α-helix	trans	-85.8	-34.7	176.7	-140.4	72.5	0	0	0	112.3	H576 A581 A582	H576-L579 PolarHBondContact O-N 3.01Å; L579-A581 VanDerWaalsContact C-N 3.26Å; L579-A581 PolarHBondContact O-N 2.91Å; L579-A582 PolarHBondContact O-N 2.9Å; L579-A582 VanDerWaalsContact O-N 3.12Å
580	A	41.5	Very low	39.6	Very low	72 Å²	72	116 Å²	116	60%	0.595	71%	0.711	S	S	*	*	H	α-helix	trans	-58.8	-35	176.8	0	0	0	0	0	113.2	A582	A580-A582 VanDerWaalsContact C-N 3.3Å; A580-A582 PolarHBondContact O-N 3.34Å
581	A	40.9	Very low	39.7	Very low	66 Å²	66	119 Å²	119	55%	0.545	72%	0.719	S	S	.	*	H	α-helix	trans	-67.4	-26.4	178.3	0	0	0	0	0	113.8	L579	L579-A581 VanDerWaalsContact C-N 3.26Å; L579-A581 PolarHBondContact O-N 2.91Å
582	A	39.1	Very low	39.8	Very low	66 Å²	66	118.5 Å²	118.5	55%	0.545	72%	0.718	S	S	.	*	H	α-helix	trans	-79.3	-32.9	-179.1	0	0	0	0	0	112.7	L579 A580 S584	L579-A582 PolarHBondContact O-N 2.9Å; L579-A582 VanDerWaalsContact O-N 3.12Å; A580-A582 VanDerWaalsContact C-N 3.3Å; A580-A582 PolarHBondContact O-N 3.34Å; A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 3.16Å
583	A	41.7	Very low	40	Very low	78 Å²	78	121 Å²	121	65%	0.645	72%	0.722	S	S	*	*	H	α-helix	trans	-70.6	-28.5	-178.6	0	0	0	0	0	113.2	L585	A583-L585 VanDerWaalsContact C-N 3.28Å; A583-L585 PolarHBondContact O-N 3.47Å
584	S	41	Very low	39.9	Very low	96 Å²	96	119.1 Å²	119.1	67%	0.671	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-12.4	-175.6	-167	0	0	0	0	114.7	A582	A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 3.16Å
585	L	36.9	Very low	40	Very low	137 Å²	137	124.3 Å²	124.3	72%	0.717	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	1.1	-170	-112.3	145	0	0	0	115.1	A583	A583-L585 VanDerWaalsContact C-N 3.28Å; A583-L585 PolarHBondContact O-N 3.47Å
586	V	40.4	Very low	39.9	Very low	132 Å²	132	124.9 Å²	124.9	80%	0.8	76%	0.761	S	S	*	*	S	Bend	trans	-101.1	-12.8	178.5	-174.7	0	0	0	0	112.3
587	A	42.2	Very low	39.9	Very low	96 Å²	96	122.6 Å²	122.6	79%	0.793	76%	0.76	S	S	*	*	S	Bend	trans	-80.7	-14.7	-177.1	0	0	0	0	0	114.6
588	S	41.6	Very low	39.7	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	77%	0.766	S	S	*	*			trans	-101.8	82.2	-177	55.8	0	0	0	0	111.8	L590	S588-L590 PolarHBondContact O-N 3.23Å
589	G	31.9	Very low	39.6	Very low	77 Å²	77	119.8 Å²	119.8	79%	0.794	76%	0.764	S	S	*	*			trans	-71.5	94.8	-178.6	0	0	0	0	0	114
590	L	43.1	Very low	39.6	Very low	171 Å²	171	118.6 Å²	118.6	90%	0.895	77%	0.766	S	S	*	*			trans	-127.8	139.7	164.3	-73	176.5	0	0	0	110.8	S588	S588-L590 PolarHBondContact O-N 3.23Å
591	N	36.8	Very low	39.4	Very low	158 Å²	158	121.7 Å²	121.7	85%	0.845	78%	0.777	S	S	*	*			trans	-94.4	125.7	-165.2	-169.1	10.2	0	0	0	111.2
592	P	36.1	Very low	39.3	Very low	109 Å²	109	125.7 Å²	125.7	71%	0.708	79%	0.794	S	S	*	*			trans	-84	138.8	-172.5	32	-35.8	0	0	0	114
593	R	38.9	Very low	39.3	Very low	240 Å²	240	130.3 Å²	130.3	91%	0.906	81%	0.813	S	S	*	*			trans	-167.1	147.9	159.6	-109.3	162.6	-165.8	-151.4	1	111.8
594	S	38	Very low	39.2	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	83%	0.827	S	S	*	*			trans	44.4	106.8	167.1	56.5	0	0	0	0	116.6
595	S	42.9	Very low	39	Very low	196 Å²	196	138.2 Å²	138.2	100%	1.371	84%	0.841	S	S	*	*				-145.2	0	55.3	39.9	0	0	0	0	115

Retrieved 595 of 595 residues in 220.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).