A0A077ZQB9_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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	28	Very low	28.3	Very low	246 Å²	246	143.2 Å²	143.2	100%	1.212	75%	0.754	S	S	*	*				0	89.3	0	-73.4	-178.6	176.2	0	0	108.9	R3	M1-R3 PolarHBondContact O-N 3.23Å
2	A	20.1	Very low	29.7	Very low	98 Å²	98	137.5 Å²	137.5	81%	0.81	73%	0.729	S	S	*	*			trans	-87.3	103	172.6	0	0	0	0	0	107.9	T4	A2-T4 PolarHBondContact O-N 2.92Å; A2-T4 VanDerWaalsContact O-N 3.12Å
3	R	20.2	Very low	30.5	Very low	237 Å²	237	130.2 Å²	130.2	89%	0.894	69%	0.69	S	S	*	*			trans	-73.6	95.8	166.8	-78.8	-179.2	172.3	177.6	-3.2	107	M1 R5	M1-R3 PolarHBondContact O-N 3.23Å; R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.11Å
4	T	23.4	Very low	31.4	Very low	113 Å²	113	126.3 Å²	126.3	69%	0.693	69%	0.685	S	S	*	*			trans	-62.8	95.5	164.6	35.3	0	0	0	0	107.8	A2 F6	A2-T4 PolarHBondContact O-N 2.92Å; A2-T4 VanDerWaalsContact O-N 3.12Å; T4-F6 PolarHBondContact O-N 3.25Å; T4-F6 VanDerWaalsContact O-N 3.11Å
5	R	21.9	Very low	32	Very low	235 Å²	235	125.7 Å²	125.7	89%	0.887	68%	0.682	S	S	*	*			trans	-71.1	97.2	165.2	-76.3	-176.3	176.3	180	-1.1	106.7	R3	R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 PolarHBondContact O-N 3.11Å
6	F	25	Very low	32.7	Very low	145 Å²	145	118.6 Å²	118.6	64%	0.636	64%	0.644	S	S	*	*			trans	-61.1	136.8	162.5	-81.2	-86.6	0	0	0	108.4	T4	T4-F6 PolarHBondContact O-N 3.25Å; T4-F6 VanDerWaalsContact O-N 3.11Å
7	P	28	Very low	33.2	Very low	103 Å²	103	114.9 Å²	114.9	67%	0.669	63%	0.627	S	S	*	*			trans	-59	140.9	171.1	-14.9	29.2	0	0	0	108.9	C9	P7-C9 PolarHBondContact O-N 3.01Å
8	S	33.1	Very low	33.7	Very low	110 Å²	110	110.2 Å²	110.2	77%	0.769	61%	0.606	S	S	*	*			trans	-66	56.9	-171.9	58.9	0	0	0	0	114.7
9	C	36.4	Very low	34.1	Very low	75 Å²	75	106.3 Å²	106.3	51%	0.507	58%	0.584	S	S	.	*	S	Bend	trans	-100.4	95.5	-179.1	-61.4	0	0	0	0	109	P7	P7-C9 PolarHBondContact O-N 3.01Å
10	C	36.4	Very low	34.6	Very low	54 Å²	54	108 Å²	108	37%	0.365	59%	0.592	S	S	.	*			trans	63.8	91.1	177.9	-60.7	0	0	0	0	115.9	V12	C10-V12 PolarHBondContact O-N 2.8Å
11	D	39.3	Very low	35.3	Very low	159 Å²	159	106 Å²	106	85%	0.85	58%	0.576	S	S	*	*	S	Bend	trans	-67.9	-16.2	169.8	-68.9	-32.9	0	0	0	112.8
12	V	45	Very low	36.8	Very low	75 Å²	75	94.3 Å²	94.3	46%	0.455	52%	0.518	S	S	.	.	S	Bend	trans	-128.4	116.9	-178.4	-172.9	0	0	0	0	109.3	C10 A14 D15	C10-V12 PolarHBondContact O-N 2.8Å; V12-A14 HydrophobicContact CG1-CB 3.99Å; V12-A14 PolarHBondContact O-N 3.48Å; V12-A14 VanDerWaalsContact O-N 3.15Å; V12-D15 PolarHBondContact O-N 3.39Å
13	L	39.6	Very low	38.9	Very low	43 Å²	43	91.5 Å²	91.5	23%	0.225	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-53.5	-34.4	179.3	-115.6	146.6	0	0	0	112.5	D15 C16 M19 L89	L13-D15 PolarHBondContact O-N 3.45Å; L13-C16 VanDerWaalsContact O-CB 3.26Å; L13-C16 WeakPolarHBondContact O-CB 3.39Å; L13-C16 PolarHBondContact O-N 3.1Å; L13-C16 VanDerWaalsContact O-N 3.13Å; L13-M19 HydrophobicContact CD2-CG 4.38Å; L13-M19 HydrophobicContact CD2-SD 3.91Å; L13-M19 WeakPolarHBondContact O-CG 2.94Å; L13-L89 HydrophobicContact CD1-CD1 4.03Å; L13-L89 HydrophobicContact CG-CD1 4.39Å; L13-L89 HydrophobicContact CG-CD2 4.11Å; L13-L89 HydrophobicContact CG-CG 4.39Å
14	A	42.9	Very low	41	Very low	75 Å²	75	85 Å²	85	62%	0.62	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-64	-22.7	178.4	0	0	0	0	0	113.9	V12 C16	V12-A14 HydrophobicContact CG1-CB 3.99Å; V12-A14 PolarHBondContact O-N 3.48Å; V12-A14 VanDerWaalsContact O-N 3.15Å; A14-C16 VanDerWaalsContact C-N 3.34Å
15	D	41	Very low	42.9	Very low	118 Å²	118	80.9 Å²	80.9	63%	0.631	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-90.5	-3.4	178.5	-62.4	-29.7	0	0	0	112.3	V12 L13 P17	V12-D15 PolarHBondContact O-N 3.39Å; L13-D15 PolarHBondContact O-N 3.45Å; D15-P17 WeakPolarHBondContact O-CD 3.45Å
16	C	42.8	Very low	45.1	Very low	11 Å²	11	69.8 Å²	69.8	7%	0.074	41%	0.406	C	S	.	.			trans	-76.8	118.9	177	-165.6	0	0	0	0	109.2	L13 A14 A18 M19	L13-C16 VanDerWaalsContact O-CB 3.26Å; L13-C16 WeakPolarHBondContact O-CB 3.39Å; L13-C16 PolarHBondContact O-N 3.1Å; L13-C16 VanDerWaalsContact O-N 3.13Å; A14-C16 VanDerWaalsContact C-N 3.34Å; C16-A18 PolarHBondContact O-N 3.16Å; C16-M19 WeakPolarHBondContact O-CB 3.09Å; C16-M19 PolarHBondContact O-N 3.2Å
17	P	41.4	Very low	47.4	Very low	57 Å²	57	64.6 Å²	64.6	37%	0.37	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.1	-18.7	179.6	-24.2	33.4	0	0	0	114.1	D15 M19	D15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-M19 PolarHBondContact O-N 3.27Å
18	A	42.2	Very low	49.2	Very low	30 Å²	30	60.1 Å²	60.1	25%	0.248	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.2	174.8	0	0	0	0	0	114.1	C16	C16-A18 PolarHBondContact O-N 3.16Å
19	M	41.4	Very low	50.9	Low	35 Å²	35	55.4 Å²	55.4	17%	0.172	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-76.3	-31.5	179.3	-76.7	-65.2	-67	0	0	113.3	L13 C16 P17 W21 A22 A51 M54	L13-M19 HydrophobicContact CD2-CG 4.38Å; L13-M19 HydrophobicContact CD2-SD 3.91Å; L13-M19 WeakPolarHBondContact O-CG 2.94Å; C16-M19 WeakPolarHBondContact O-CB 3.09Å; C16-M19 PolarHBondContact O-N 3.2Å; P17-M19 PolarHBondContact O-N 3.27Å; M19-W21 PolarHBondContact O-N 2.86Å; M19-A22 VanDerWaalsContact O-CB 3.28Å; M19-A22 WeakPolarHBondContact O-CB 3.26Å; M19-A22 PolarHBondContact O-N 3.18Å; M19-A51 HydrophobicContact CE-CB 4.12Å; M19-M54 HydrophobicContact SD-CG 4.46Å
20	D	44.7	Very low	52.7	Low	141 Å²	141	51.9 Å²	51.9	75%	0.754	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.4	-177.7	-74.1	-23.3	0	0	0	112.8
21	W	49.1	Very low	54.5	Low	66 Å²	66	53.3 Å²	53.3	25%	0.25	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	26	-179.5	-19	-38	0	0	0	111.4	M19 T23 E24 A25 F225 S226	M19-W21 PolarHBondContact O-N 2.86Å; W21-T23 PolarHBondContact O-N 3.49Å; W21-E24 PolarHBondContact O-N 3.49Å; W21-A25 WeakPolarHBondContact O-CB 3.41Å; W21-A25 PolarHBondContact O-N 2.76Å; W21-A25 VanDerWaalsContact O-N 3.12Å; W21-F225 HydrophobicContact CE3-CD1 4.32Å; W21-F225 HydrophobicContact CE3-CE1 4.26Å; W21-F225 HydrophobicContact CH2-CB 3.83Å; W21-F225 AromaticContact CH2-CD1 3.3Å; W21-F225 HydrophobicContact CH2-CD1 3.3Å; W21-F225 HydrophobicContact CH2-CE1 4.03Å; W21-F225 AromaticContact CH2-CG 3.79Å; W21-F225 HydrophobicContact CH2-CG 3.79Å; W21-F225 WeakPolarHBondContact CH2-O 3.32Å; W21-F225 WeakPolarHBondContact CZ2-O 3.24Å; W21-F225 HydrophobicContact CZ3-CB 4.43Å; W21-F225 AromaticContact CZ3-CD1 3.1Å; W21-F225 HydrophobicContact CZ3-CD1 3.1Å; W21-F225 AromaticContact CZ3-CE1 3.31Å; W21-F225 HydrophobicContact CZ3-CE1 3.31Å; W21-F225 AromaticContact CZ3-CG 3.89Å; W21-F225 HydrophobicContact CZ3-CG 3.89Å; W21-F225 HydrophobicContact CZ3-CZ 4.25Å; W21-S226 VanDerWaalsContact CE3-C 3.43Å; W21-S226 WeakPolarHBondContact CH2-O 3.17Å; W21-S226 WeakPolarHBondContact CZ2-O 3.49Å; W21-S226 WeakPolarHBondContact CZ3-O 3.25Å
22	A	59.1	Low	55.7	Low	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-27.5	-172.5	0	0	0	0	0	111.3	M19 V26 G50	M19-A22 VanDerWaalsContact O-CB 3.28Å; M19-A22 WeakPolarHBondContact O-CB 3.26Å; M19-A22 PolarHBondContact O-N 3.18Å; A22-V26 HydrophobicContact CB-CG2 4.48Å; A22-V26 WeakPolarHBondContact O-CA 3.2Å; A22-V26 WeakPolarHBondContact O-CB 3.2Å; A22-V26 WeakPolarHBondContact O-CG2 3.37Å; A22-V26 PolarHBondContact O-N 3.39Å; A22-G50 VanDerWaalsContact CB-CA 3.41Å; A22-G50 WeakPolarHBondContact CB-O 3.36Å
23	T	64	Low	56.8	Low	39 Å²	39	46.4 Å²	46.4	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-54.8	-174.5	-39.6	0	0	0	0	111	W21 V26 K27 V43 G50	W21-T23 PolarHBondContact O-N 3.49Å; T23-V26 PolarHBondContact O-N 3.42Å; T23-K27 WeakPolarHBondContact O-CB 3.5Å; T23-K27 VanDerWaalsContact O-CG 3.23Å; T23-K27 WeakPolarHBondContact O-CG 3.18Å; T23-K27 PolarHBondContact O-N 2.88Å; T23-V43 HydrophobicContact CG2-CG1 3.89Å; T23-V43 HydrophobicContact CG2-CG2 4.3Å; T23-G50 VanDerWaalsContact CA-CA 3.49Å; T23-G50 VanDerWaalsContact N-CA 3.26Å; T23-G50 PolarHBondContact OG1-N 2.85Å
24	E	65.4	Low	58.4	Low	101 Å²	101	50.8 Å²	50.8	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-70.8	-36.9	179.9	-67.3	-52.9	139.5	0	0	111.7	W21 V26 K27 V28	W21-E24 PolarHBondContact O-N 3.49Å; E24-V26 PolarHBondContact O-N 3.07Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.1Å; E24-K27 WeakPolarHBondContact OE2-CD 3.31Å; E24-K27 IonicContact OE2-NZ 3.63Å; E24-V28 WeakPolarHBondContact O-CG2 3.38Å; E24-V28 PolarHBondContact O-N 2.79Å
25	A	61.7	Low	60	Low	26 Å²	26	49 Å²	49	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-47.1	173.9	0	0	0	0	0	111.9	W21 W29 Y99	W21-A25 WeakPolarHBondContact O-CB 3.41Å; W21-A25 PolarHBondContact O-N 2.76Å; W21-A25 VanDerWaalsContact O-N 3.12Å; A25-W29 WeakPolarHBondContact O-CB 3.39Å; A25-W29 PolarHBondContact O-N 3.29Å; A25-Y99 HydrophobicContact CB-CE2 4.49Å
26	V	67.8	Low	61.7	Low	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-37.2	177.6	175.7	0	0	0	0	110.9	A22 T23 E24 W29 L30 L53 M54 L84	A22-V26 HydrophobicContact CB-CG2 4.48Å; A22-V26 WeakPolarHBondContact O-CA 3.2Å; A22-V26 WeakPolarHBondContact O-CB 3.2Å; A22-V26 WeakPolarHBondContact O-CG2 3.37Å; A22-V26 PolarHBondContact O-N 3.39Å; T23-V26 PolarHBondContact O-N 3.42Å; E24-V26 PolarHBondContact O-N 3.07Å; V26-W29 WeakPolarHBondContact O-CB 3.24Å; V26-W29 PolarHBondContact O-N 2.9Å; V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.06Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.29Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.28Å; V26-L53 HydrophobicContact CB-CD1 4.22Å; V26-L53 HydrophobicContact CG1-CB 4.04Å; V26-L53 HydrophobicContact CG1-CD1 3.79Å; V26-L53 HydrophobicContact CG1-CD2 4.43Å; V26-L53 HydrophobicContact CG1-CG 4.32Å; V26-M54 HydrophobicContact CG2-CG 4.09Å; V26-M54 HydrophobicContact CG2-SD 3.83Å; V26-L84 HydrophobicContact CB-CD2 4.5Å; V26-L84 HydrophobicContact CG2-CD2 3.79Å
27	K	73.4	Confident	63.5	Low	37 Å²	37	49.4 Å²	49.4	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-54.8	175.6	-82.1	-177	-173.2	170.3	0	111.4	T23 E24 W29 L30 Q31 I39 V43	T23-K27 WeakPolarHBondContact O-CB 3.5Å; T23-K27 VanDerWaalsContact O-CG 3.23Å; T23-K27 WeakPolarHBondContact O-CG 3.18Å; T23-K27 PolarHBondContact O-N 2.88Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.1Å; E24-K27 WeakPolarHBondContact OE2-CD 3.31Å; E24-K27 IonicContact OE2-NZ 3.63Å; K27-W29 VanDerWaalsContact C-N 3.26Å; K27-W29 PolarHBondContact O-N 2.9Å; K27-L30 PolarHBondContact O-N 3.37Å; K27-Q31 WeakPolarHBondContact O-CG 3.39Å; K27-Q31 PolarHBondContact O-N 3.17Å; K27-I39 HydrophobicContact CB-CD1 4.32Å; K27-I39 HydrophobicContact CB-CG1 4.49Å; K27-I39 HydrophobicContact CD-CG2 4.12Å; K27-I39 HydrophobicContact CG-CG1 4.37Å; K27-I39 HydrophobicContact CG-CG2 3.87Å; K27-I39 WeakPolarHBondContact O-CD1 3.47Å; K27-V43 HydrophobicContact CD-CG1 4.49Å; K27-V43 HydrophobicContact CG-CG2 4.06Å
28	V	66.9	Low	65.4	Low	9 Å²	9	46.7 Å²	46.7	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-40.1	178.5	-179.1	0	0	0	0	109.1	E24 L30 Q31 I32 Y99 L103	E24-V28 WeakPolarHBondContact O-CG2 3.38Å; E24-V28 PolarHBondContact O-N 2.79Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.19Å; V28-Q31 CarbonylContact O-C 3.4Å; V28-Q31 WeakPolarHBondContact O-CA 3.5Å; V28-Q31 VanDerWaalsContact O-CB 3.28Å; V28-Q31 WeakPolarHBondContact O-CB 3.05Å; V28-Q31 PolarHBondContact O-N 2.94Å; V28-I32 HydrophobicContact CG1-CD1 4.06Å; V28-I32 HydrophobicContact CG1-CG1 4.2Å; V28-I32 VanDerWaalsContact O-CG1 3.24Å; V28-I32 WeakPolarHBondContact O-CG1 3.43Å; V28-I32 PolarHBondContact O-N 3.43Å; V28-Y99 HydrophobicContact CB-CD2 3.67Å; V28-Y99 HydrophobicContact CB-CE2 3.24Å; V28-Y99 HydrophobicContact CG1-CD2 3.65Å; V28-Y99 HydrophobicContact CG1-CE2 3.67Å; V28-Y99 HydrophobicContact CG2-CD2 4.25Å; V28-Y99 HydrophobicContact CG2-CE2 3.39Å; V28-L103 HydrophobicContact CG1-CD2 4.08Å; V28-L103 HydrophobicContact CG1-CG 4.12Å; V28-L103 HydrophobicContact CG2-CD2 3.88Å
29	W	69.2	Low	67.1	Low	10 Å²	10	46 Å²	46	4%	0.038	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-45.7	175.8	-178.8	-102.3	0	0	0	112.9	A25 V26 K27 Q31 I32 V33 C80 L84 E87 L95	A25-W29 WeakPolarHBondContact O-CB 3.39Å; A25-W29 PolarHBondContact O-N 3.29Å; V26-W29 WeakPolarHBondContact O-CB 3.24Å; V26-W29 PolarHBondContact O-N 2.9Å; K27-W29 VanDerWaalsContact C-N 3.26Å; K27-W29 PolarHBondContact O-N 2.9Å; W29-Q31 PolarHBondContact O-N 3.08Å; W29-I32 HydrophobicContact CE3-CB 4.5Å; W29-I32 HydrophobicContact CE3-CD1 4.12Å; W29-I32 HydrophobicContact CZ3-CG2 4.48Å; W29-I32 WeakPolarHBondContact O-CB 3.48Å; W29-I32 PolarHBondContact O-N 2.83Å; W29-V33 HydrophobicContact CD2-CG1 4.3Å; W29-V33 HydrophobicContact CH2-CG1 4.41Å; W29-V33 HydrophobicContact CZ2-CG1 3.78Å; W29-V33 WeakPolarHBondContact O-CG2 3.32Å; W29-V33 PolarHBondContact O-N 2.8Å; W29-C80 PolarHBondContact NE1-SG 2.92Å; W29-L84 HydrophobicContact CB-CD1 4.34Å; W29-L84 HydrophobicContact CB-CD2 4.11Å; W29-L84 HydrophobicContact CD2-CD1 3.69Å; W29-L84 HydrophobicContact CE3-CD1 4.14Å; W29-L84 HydrophobicContact CG-CB 4.46Å; W29-L84 HydrophobicContact CG-CD1 3.75Å; W29-L84 HydrophobicContact CG-CD2 3.83Å; W29-L84 HydrophobicContact CG-CG 4.22Å; W29-E87 WeakPolarHBondContact CH2-OE2 3.38Å; W29-L95 HydrophobicContact CE3-CD1 3.76Å; W29-L95 HydrophobicContact CH2-CD1 4.19Å; W29-L95 HydrophobicContact CZ3-CD1 3.58Å
30	L	74.2	Confident	68.9	Low	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-32.7	173.7	-71.7	171.9	0	0	0	111.4	V26 K27 V28 D34 K35 S36 W38 I39 L77	V26-L30 HydrophobicContact CG1-CD1 3.88Å; V26-L30 HydrophobicContact CG1-CG 4.06Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.29Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.28Å; K27-L30 PolarHBondContact O-N 3.37Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.19Å; L30-D34 PolarHBondContact O-N 3.22Å; L30-K35 HydrophobicContact CB-CB 4.42Å; L30-K35 HydrophobicContact CD2-CB 3.84Å; L30-K35 CarbonylContact O-C 3.33Å; L30-K35 VanDerWaalsContact O-CA 3.32Å; L30-K35 WeakPolarHBondContact O-CA 3.48Å; L30-K35 PolarHBondContact O-N 3.4Å; L30-S36 PolarHBondContact O-N 3.22Å; L30-W38 HydrophobicContact CD1-CB 4.23Å; L30-W38 HydrophobicContact CD2-CB 4.47Å; L30-I39 HydrophobicContact CB-CD1 4.02Å; L30-I39 HydrophobicContact CB-CG1 3.79Å; L30-I39 HydrophobicContact CD1-CG1 3.92Å; L30-L77 HydrophobicContact CD2-CD1 3.94Å
31	Q	72.9	Confident	70.6	Confident	85 Å²	85	46.5 Å²	46.5	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-68	-41.2	169.8	-63.9	176.2	-11.3	0	0	112.1	K27 V28 W29 V33 D34 I39	K27-Q31 WeakPolarHBondContact O-CG 3.39Å; K27-Q31 PolarHBondContact O-N 3.17Å; V28-Q31 CarbonylContact O-C 3.4Å; V28-Q31 WeakPolarHBondContact O-CA 3.5Å; V28-Q31 VanDerWaalsContact O-CB 3.28Å; V28-Q31 WeakPolarHBondContact O-CB 3.05Å; V28-Q31 PolarHBondContact O-N 2.94Å; W29-Q31 PolarHBondContact O-N 3.08Å; Q31-V33 VanDerWaalsContact C-N 3.31Å; Q31-V33 PolarHBondContact O-N 3.46Å; Q31-D34 PolarHBondContact O-N 2.1Å; Q31-I39 HydrophobicContact CG-CD1 3.43Å; Q31-I39 VanDerWaalsContact CG-CD1 3.43Å
32	I	64.3	Low	72	Confident	39 Å²	39	43.4 Å²	43.4	20%	0.2	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-41.7	-178.5	-66.9	175.6	0	0	0	111.5	V28 W29 D34 C102	V28-I32 HydrophobicContact CG1-CD1 4.06Å; V28-I32 HydrophobicContact CG1-CG1 4.2Å; V28-I32 VanDerWaalsContact O-CG1 3.24Å; V28-I32 WeakPolarHBondContact O-CG1 3.43Å; V28-I32 PolarHBondContact O-N 3.43Å; W29-I32 HydrophobicContact CE3-CB 4.5Å; W29-I32 HydrophobicContact CE3-CD1 4.12Å; W29-I32 HydrophobicContact CZ3-CG2 4.48Å; W29-I32 WeakPolarHBondContact O-CB 3.48Å; W29-I32 PolarHBondContact O-N 2.83Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 3.15Å; I32-C102 HydrophobicContact CD1-CB 3.43Å; I32-C102 VanDerWaalsContact CD1-CB 3.43Å; I32-C102 VanDerWaalsContact CD1-SG 3.58Å; I32-C102 HydrophobicContact CG1-CB 3.32Å; I32-C102 WeakPolarHBondContact CG1-SG 3.23Å
33	V	69	Low	72.7	Confident	49 Å²	49	44 Å²	44	30%	0.297	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	13.6	-178.3	-60.9	0	0	0	0	113.2	W29 Q31 K35 C80	W29-V33 HydrophobicContact CD2-CG1 4.3Å; W29-V33 HydrophobicContact CH2-CG1 4.41Å; W29-V33 HydrophobicContact CZ2-CG1 3.78Å; W29-V33 WeakPolarHBondContact O-CG2 3.32Å; W29-V33 PolarHBondContact O-N 2.8Å; Q31-V33 VanDerWaalsContact C-N 3.31Å; Q31-V33 PolarHBondContact O-N 3.46Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 HydrophobicContact CG2-CB 3.93Å; V33-K35 HydrophobicContact CG2-CG 3.85Å; V33-K35 PolarHBondContact O-N 2.92Å; V33-C80 WeakPolarHBondContact CG2-SG 3.1Å
34	D	73.5	Confident	73.3	Confident	135 Å²	135	46.6 Å²	46.6	72%	0.722	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	45.1	179.5	-156.9	22.6	0	0	0	114	L30 Q31 I32	L30-D34 PolarHBondContact O-N 3.22Å; Q31-D34 PolarHBondContact O-N 2.1Å; I32-D34 VanDerWaalsContact C-N 3.27Å; I32-D34 PolarHBondContact O-N 3.15Å
35	K	76.3	Confident	73.7	Confident	39 Å²	39	44.6 Å²	44.6	17%	0.17	24%	0.244	C	C	.	.			trans	-118.6	32.3	176.9	-69.9	-60.7	-172.4	-179.2	0	111.3	L30 V33 E37 W38 S76	L30-K35 HydrophobicContact CB-CB 4.42Å; L30-K35 HydrophobicContact CD2-CB 3.84Å; L30-K35 CarbonylContact O-C 3.33Å; L30-K35 VanDerWaalsContact O-CA 3.32Å; L30-K35 WeakPolarHBondContact O-CA 3.48Å; L30-K35 PolarHBondContact O-N 3.4Å; V33-K35 VanDerWaalsContact C-N 3.34Å; V33-K35 HydrophobicContact CG2-CB 3.93Å; V33-K35 HydrophobicContact CG2-CG 3.85Å; V33-K35 PolarHBondContact O-N 2.92Å; K35-E37 PolarHBondContact O-N 3.24Å; K35-W38 WeakPolarHBondContact O-CB 3.38Å; K35-W38 PolarHBondContact O-N 3.03Å; K35-S76 WeakPolarHBondContact CE-OG 3.43Å; K35-S76 PolarHBondContact NZ-OG 3.26Å
36	S	76.3	Confident	74.5	Confident	59 Å²	59	48.4 Å²	48.4	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-22.8	-174.7	53.6	0	0	0	0	114	L30 W38 I39	L30-S36 PolarHBondContact O-N 3.22Å; S36-W38 PolarHBondContact O-N 3Å; S36-I39 VanDerWaalsContact O-CB 3.31Å; S36-I39 WeakPolarHBondContact O-CB 3.25Å; S36-I39 PolarHBondContact O-N 2.69Å; S36-I39 VanDerWaalsContact O-N 3.12Å
37	E	80.4	Confident	74.9	Confident	78 Å²	78	55.1 Å²	55.1	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-55.4	-34.9	169.6	67.8	-157.2	-179	0	0	113.2	K35 I39 K40 F41	K35-E37 PolarHBondContact O-N 3.24Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.16Å; E37-K40 PolarHBondContact O-N 2.96Å; E37-F41 PolarHBondContact O-N 3.2Å
38	W	81.4	Confident	74.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.9	-24	179.9	-67.7	100.7	0	0	0	112.8	L30 K35 S36 F41 L42 A64 Y69 E73 L74 L77	L30-W38 HydrophobicContact CD1-CB 4.23Å; L30-W38 HydrophobicContact CD2-CB 4.47Å; K35-W38 WeakPolarHBondContact O-CB 3.38Å; K35-W38 PolarHBondContact O-N 3.03Å; S36-W38 PolarHBondContact O-N 3Å; W38-F41 HydrophobicContact CE3-CD1 4.1Å; W38-F41 AromaticContact CZ3-CD1 3.95Å; W38-F41 HydrophobicContact CZ3-CD1 3.95Å; W38-L42 HydrophobicContact CB-CD1 4.24Å; W38-L42 HydrophobicContact CE3-CD1 3.83Å; W38-L42 HydrophobicContact CE3-CG 4.09Å; W38-L42 VanDerWaalsContact O-CB 3.27Å; W38-L42 WeakPolarHBondContact O-CB 3.3Å; W38-L42 PolarHBondContact O-N 2.87Å; W38-A64 HydrophobicContact CH2-CB 4.21Å; W38-A64 HydrophobicContact CZ3-CB 3.98Å; W38-Y69 AromaticContact CH2-CD1 3.81Å; W38-Y69 HydrophobicContact CH2-CD1 3.81Å; W38-Y69 HydrophobicContact CH2-CD2 4.18Å; W38-Y69 HydrophobicContact CH2-CE1 4.26Å; W38-Y69 AromaticContact CH2-CG 3.76Å; W38-Y69 HydrophobicContact CH2-CG 3.76Å; W38-Y69 AromaticContact CZ2-CD1 3.94Å; W38-Y69 HydrophobicContact CZ2-CD1 3.94Å; W38-Y69 HydrophobicContact CZ2-CE1 4.28Å; W38-Y69 HydrophobicContact CZ2-CG 4.34Å; W38-Y69 HydrophobicContact CZ3-CD1 4.45Å; W38-Y69 HydrophobicContact CZ3-CD2 4.25Å; W38-Y69 HydrophobicContact CZ3-CE2 4.37Å; W38-Y69 HydrophobicContact CZ3-CG 4.28Å; W38-E73 HydrophobicContact CZ2-CB 4.07Å; W38-L74 HydrophobicContact CH2-CD2 4.12Å; W38-L74 HydrophobicContact CH2-CG 4.08Å; W38-L77 HydrophobicContact CB-CD1 4.03Å; W38-L77 HydrophobicContact CD2-CB 4.3Å; W38-L77 HydrophobicContact CD2-CD1 3.98Å; W38-L77 HydrophobicContact CD2-CD2 3.66Å; W38-L77 HydrophobicContact CD2-CG 4.18Å; W38-L77 HydrophobicContact CE3-CD2 3.57Å; W38-L77 HydrophobicContact CG-CD1 3.69Å; W38-L77 HydrophobicContact CG-CD2 4.28Å; W38-L77 HydrophobicContact CG-CG 4.4Å; W38-L77 HydrophobicContact CH2-CD2 4.08Å; W38-L77 HydrophobicContact CZ2-CB 4.09Å; W38-L77 HydrophobicContact CZ2-CD2 4.18Å; W38-L77 HydrophobicContact CZ3-CD2 3.79Å
39	I	78.2	Confident	75	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.072	30%	0.304	C	S	.	.	I	π-helix	trans	-63.8	-50.5	171.8	-60	169.4	0	0	0	109.1	K27 L30 Q31 S36 E37 F41 V43 D44	K27-I39 HydrophobicContact CB-CD1 4.32Å; K27-I39 HydrophobicContact CB-CG1 4.49Å; K27-I39 HydrophobicContact CD-CG2 4.12Å; K27-I39 HydrophobicContact CG-CG1 4.37Å; K27-I39 HydrophobicContact CG-CG2 3.87Å; K27-I39 WeakPolarHBondContact O-CD1 3.47Å; L30-I39 HydrophobicContact CB-CD1 4.02Å; L30-I39 HydrophobicContact CB-CG1 3.79Å; L30-I39 HydrophobicContact CD1-CG1 3.92Å; Q31-I39 HydrophobicContact CG-CD1 3.43Å; Q31-I39 VanDerWaalsContact CG-CD1 3.43Å; S36-I39 VanDerWaalsContact O-CB 3.31Å; S36-I39 WeakPolarHBondContact O-CB 3.25Å; S36-I39 PolarHBondContact O-N 2.69Å; S36-I39 VanDerWaalsContact O-N 3.12Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.16Å; I39-F41 VanDerWaalsContact C-N 3.34Å; I39-F41 PolarHBondContact O-N 2.83Å; I39-V43 HydrophobicContact CG2-CB 4.5Å; I39-V43 WeakPolarHBondContact O-CA 3.44Å; I39-V43 VanDerWaalsContact O-CB 3.32Å; I39-V43 WeakPolarHBondContact O-CB 3.37Å; I39-V43 PolarHBondContact O-N 2.9Å; I39-D44 PolarHBondContact O-N 2.9Å
40	K	79.4	Confident	74.8	Confident	156 Å²	156	57.1 Å²	57.1	68%	0.678	30%	0.302	S	S	*	.	I	π-helix	trans	-59.7	-44.4	177.4	-91.3	-175.1	174.2	179.8	0	111.9	E37 D44 G45	E37-K40 PolarHBondContact O-N 2.96Å; K40-D44 WeakPolarHBondContact O-CB 3.35Å; K40-G45 PolarHBondContact O-N 2.87Å
41	F	81.2	Confident	74.3	Confident	31 Å²	31	58.9 Å²	58.9	14%	0.136	32%	0.317	C	S	.	.	I	π-helix	trans	-72.9	-54.1	-177.1	-177.4	-107.4	0	0	0	112.7	E37 W38 I39 G45 R46 A64 S67 Y69	E37-F41 PolarHBondContact O-N 3.2Å; W38-F41 HydrophobicContact CE3-CD1 4.1Å; W38-F41 AromaticContact CZ3-CD1 3.95Å; W38-F41 HydrophobicContact CZ3-CD1 3.95Å; I39-F41 VanDerWaalsContact C-N 3.34Å; I39-F41 PolarHBondContact O-N 2.83Å; F41-G45 CarbonylContact O-C 3.47Å; F41-G45 WeakPolarHBondContact O-CA 3.32Å; F41-G45 PolarHBondContact O-N 2.7Å; F41-R46 PolarHBondContact O-N 2.85Å; F41-R46 VanDerWaalsContact O-N 3.13Å; F41-A64 HydrophobicContact CD1-CB 4.42Å; F41-A64 HydrophobicContact CE1-CB 3.65Å; F41-A64 HydrophobicContact CZ-CB 4.15Å; F41-S67 WeakPolarHBondContact CE2-OG 3.4Å; F41-Y69 HydrophobicContact CB-CE2 4.15Å; F41-Y69 HydrophobicContact CD1-CE2 4.09Å; F41-Y69 AromaticContact CD2-CE2 3.78Å; F41-Y69 HydrophobicContact CD2-CE2 3.78Å; F41-Y69 HydrophobicContact CE2-CE2 4.22Å; F41-Y69 AromaticContact CG-CE2 3.71Å; F41-Y69 HydrophobicContact CG-CE2 3.71Å
42	L	76.9	Confident	74.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	31%	0.306	C	S	.	.	I	π-helix	trans	-82.9	-46.1	-170.9	-63	167.3	0	0	0	112	W38 R46 N47 V48 L53 L56 L77	W38-L42 HydrophobicContact CB-CD1 4.24Å; W38-L42 HydrophobicContact CE3-CD1 3.83Å; W38-L42 HydrophobicContact CE3-CG 4.09Å; W38-L42 VanDerWaalsContact O-CB 3.27Å; W38-L42 WeakPolarHBondContact O-CB 3.3Å; W38-L42 PolarHBondContact O-N 2.87Å; L42-R46 CarbonylContact O-C 3.58Å; L42-R46 WeakPolarHBondContact O-CB 3.42Å; L42-R46 PolarHBondContact O-N 2.82Å; L42-N47 PolarHBondContact O-N 3.31Å; L42-V48 HydrophobicContact CB-CB 4.35Å; L42-V48 HydrophobicContact CB-CG2 4.43Å; L42-V48 VanDerWaalsContact O-CB 3.31Å; L42-V48 WeakPolarHBondContact O-CB 3.44Å; L42-V48 WeakPolarHBondContact O-CG2 3.26Å; L42-V48 PolarHBondContact O-N 3.39Å; L42-L53 HydrophobicContact CB-CD2 3.9Å; L42-L53 HydrophobicContact CD1-CD2 3.55Å; L42-L53 HydrophobicContact CG-CD2 4.33Å; L42-L56 HydrophobicContact CD1-CD1 4.23Å; L42-L56 HydrophobicContact CD1-CD2 4.19Å; L42-L56 HydrophobicContact CD2-CD2 4.13Å; L42-L77 HydrophobicContact CD1-CD2 3.81Å
43	V	73.8	Confident	74.4	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.073	30%	0.297	C	S	.	.	I	π-helix	trans	-82	-57.6	-177.6	-172.3	0	0	0	0	110.5	T23 K27 I39 N47 L53	T23-V43 HydrophobicContact CG2-CG1 3.89Å; T23-V43 HydrophobicContact CG2-CG2 4.3Å; K27-V43 HydrophobicContact CD-CG1 4.49Å; K27-V43 HydrophobicContact CG-CG2 4.06Å; I39-V43 HydrophobicContact CG2-CB 4.5Å; I39-V43 WeakPolarHBondContact O-CA 3.44Å; I39-V43 VanDerWaalsContact O-CB 3.32Å; I39-V43 WeakPolarHBondContact O-CB 3.37Å; I39-V43 PolarHBondContact O-N 2.9Å; V43-N47 WeakPolarHBondContact O-CA 2.99Å; V43-N47 PolarHBondContact O-N 2.85Å; V43-N47 PolarHBondContact O-OD1 2.82Å; V43-L53 HydrophobicContact CG2-CD1 3.63Å
44	D	76.2	Confident	74.2	Confident	94 Å²	94	51.7 Å²	51.7	50%	0.503	28%	0.283	S	S	.	.	I	π-helix	trans	-75.8	-38.2	-172.7	-52.8	-25.1	0	0	0	111.4	I39 K40	I39-D44 PolarHBondContact O-N 2.9Å; K40-D44 WeakPolarHBondContact O-CB 3.35Å
45	G	75.7	Confident	74	Confident	60 Å²	60	48.2 Å²	48.2	62%	0.619	27%	0.269	S	S	*	.	I	π-helix	trans	-83.7	-36.8	-176.7	0	0	0	0	0	114.4	K40 F41	K40-G45 PolarHBondContact O-N 2.87Å; F41-G45 CarbonylContact O-C 3.47Å; F41-G45 WeakPolarHBondContact O-CA 3.32Å; F41-G45 PolarHBondContact O-N 2.7Å
46	R	76.9	Confident	73.7	Confident	105 Å²	105	47.2 Å²	47.2	40%	0.396	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-0.4	-175.9	-62.6	-152	79.5	-146.6	2.5	114.7	F41 L42 V48 D60	F41-R46 PolarHBondContact O-N 2.85Å; F41-R46 VanDerWaalsContact O-N 3.13Å; L42-R46 CarbonylContact O-C 3.58Å; L42-R46 WeakPolarHBondContact O-CB 3.42Å; L42-R46 PolarHBondContact O-N 2.82Å; R46-V48 HydrophobicContact CB-CG2 3.79Å; R46-V48 PolarHBondContact O-N 2.85Å; R46-D60 IonicContact CZ-OD1 2.62Å; R46-D60 IonicContact NH1-OD1 3.33Å; R46-D60 PolarHBondContact NH1-OD1 3.44Å
47	N	77	Confident	73.4	Confident	142 Å²	142	51.1 Å²	51.1	76%	0.759	27%	0.271	S	S	*	.			trans	51.6	35.8	-176.6	-70.9	-30.8	0	0	0	112.8	L42 V43 D49	L42-N47 PolarHBondContact O-N 3.31Å; V43-N47 WeakPolarHBondContact O-CA 2.99Å; V43-N47 PolarHBondContact O-N 2.85Å; V43-N47 PolarHBondContact O-OD1 2.82Å; N47-D49 PolarHBondContact O-N 3.35Å
48	V	73	Confident	73.2	Confident	10 Å²	10	54.8 Å²	54.8	6%	0.061	29%	0.286	C	S	.	.			trans	-74.1	117	175	-176.1	0	0	0	0	107.6	L42 R46 A52 L53 L56	L42-V48 HydrophobicContact CB-CB 4.35Å; L42-V48 HydrophobicContact CB-CG2 4.43Å; L42-V48 VanDerWaalsContact O-CB 3.31Å; L42-V48 WeakPolarHBondContact O-CB 3.44Å; L42-V48 WeakPolarHBondContact O-CG2 3.26Å; L42-V48 PolarHBondContact O-N 3.39Å; R46-V48 HydrophobicContact CB-CG2 3.79Å; R46-V48 PolarHBondContact O-N 2.85Å; V48-A52 HydrophobicContact CG1-CB 3.5Å; V48-L53 HydrophobicContact CG1-CG 3.92Å; V48-L56 HydrophobicContact CG1-CD2 4.4Å
49	D	69.1	Low	73.1	Confident	87 Å²	87	60.2 Å²	60.2	47%	0.465	31%	0.311	S	S	.	.			trans	-71.1	167.9	173.5	70.3	30.4	0	0	0	111.3	N47 A51 A52 L53	N47-D49 PolarHBondContact O-N 3.35Å; D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.14Å; D49-A51 PolarHBondContact OD1-N 3.23Å; D49-A51 VanDerWaalsContact OD1-N 3.14Å; D49-A52 CarbonylContact O-C 3.5Å; D49-A52 PolarHBondContact O-N 2.75Å; D49-A52 VanDerWaalsContact OD1-CB 3.3Å; D49-A52 WeakPolarHBondContact OD1-CB 3.4Å; D49-A52 PolarHBondContact OD1-N 3.23Å; D49-L53 PolarHBondContact O-N 2.88Å
50	G	64.7	Low	72.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-36.4	-177.9	0	0	0	0	0	115	A22 T23 A52 L53 M54	A22-G50 VanDerWaalsContact CB-CA 3.41Å; A22-G50 WeakPolarHBondContact CB-O 3.36Å; T23-G50 VanDerWaalsContact CA-CA 3.49Å; T23-G50 VanDerWaalsContact N-CA 3.26Å; T23-G50 PolarHBondContact OG1-N 2.85Å; G50-A52 VanDerWaalsContact C-N 3.3Å; G50-L53 WeakPolarHBondContact O-CB 3.32Å; G50-L53 PolarHBondContact O-N 3.36Å; G50-M54 VanDerWaalsContact O-CG 3.3Å; G50-M54 WeakPolarHBondContact O-CG 3.16Å; G50-M54 PolarHBondContact O-N 2.95Å
51	A	64.8	Low	72.8	Confident	39 Å²	39	54.4 Å²	54.4	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-43.8	178.5	0	0	0	0	0	109.4	M19 D49 M54 S55	M19-A51 HydrophobicContact CE-CB 4.12Å; D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.14Å; D49-A51 PolarHBondContact OD1-N 3.23Å; D49-A51 VanDerWaalsContact OD1-N 3.14Å; A51-M54 PolarHBondContact O-N 3.4Å; A51-S55 PolarHBondContact O-N 2.63Å; A51-S55 PolarHBondContact O-OG 3.35Å
52	A	68	Low	72.8	Confident	19 Å²	19	56 Å²	56	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-33.7	175.2	0	0	0	0	0	112.8	V48 D49 G50 M54 S55 L56	V48-A52 HydrophobicContact CG1-CB 3.5Å; D49-A52 CarbonylContact O-C 3.5Å; D49-A52 PolarHBondContact O-N 2.75Å; D49-A52 VanDerWaalsContact OD1-CB 3.3Å; D49-A52 WeakPolarHBondContact OD1-CB 3.4Å; D49-A52 PolarHBondContact OD1-N 3.23Å; G50-A52 VanDerWaalsContact C-N 3.3Å; A52-M54 VanDerWaalsContact C-N 3.3Å; A52-M54 PolarHBondContact O-N 3.13Å; A52-S55 CarbonylContact O-C 2.98Å; A52-S55 PolarHBondContact O-N 3.19Å; A52-S55 VanDerWaalsContact O-N 3.11Å; A52-L56 WeakPolarHBondContact O-CA 3.47Å; A52-L56 PolarHBondContact O-N 3.44Å
53	L	69.6	Low	73	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-38.3	170.6	-87.1	160.7	0	0	0	111.8	V26 L42 V43 V48 D49 G50 S55 L56 I81	V26-L53 HydrophobicContact CB-CD1 4.22Å; V26-L53 HydrophobicContact CG1-CB 4.04Å; V26-L53 HydrophobicContact CG1-CD1 3.79Å; V26-L53 HydrophobicContact CG1-CD2 4.43Å; V26-L53 HydrophobicContact CG1-CG 4.32Å; L42-L53 HydrophobicContact CB-CD2 3.9Å; L42-L53 HydrophobicContact CD1-CD2 3.55Å; L42-L53 HydrophobicContact CG-CD2 4.33Å; V43-L53 HydrophobicContact CG2-CD1 3.63Å; V48-L53 HydrophobicContact CG1-CG 3.92Å; D49-L53 PolarHBondContact O-N 2.88Å; G50-L53 WeakPolarHBondContact O-CB 3.32Å; G50-L53 PolarHBondContact O-N 3.36Å; L53-S55 PolarHBondContact O-N 3.19Å; L53-L56 HydrophobicContact CD2-CD2 4.41Å; L53-I81 WeakPolarHBondContact O-CD1 3.44Å
54	M	66.5	Low	73.3	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-22	176.6	-66.6	-58.2	-96.5	0	0	112	M19 V26 G50 A51 A52 I81 L84 R85	M19-M54 HydrophobicContact SD-CG 4.46Å; V26-M54 HydrophobicContact CG2-CG 4.09Å; V26-M54 HydrophobicContact CG2-SD 3.83Å; G50-M54 VanDerWaalsContact O-CG 3.3Å; G50-M54 WeakPolarHBondContact O-CG 3.16Å; G50-M54 PolarHBondContact O-N 2.95Å; A51-M54 PolarHBondContact O-N 3.4Å; A52-M54 VanDerWaalsContact C-N 3.3Å; A52-M54 PolarHBondContact O-N 3.13Å; M54-I81 HydrophobicContact SD-CG2 4.1Å; M54-L84 HydrophobicContact CE-CB 4.31Å; M54-L84 HydrophobicContact CE-CD2 3.84Å; M54-L84 HydrophobicContact CE-CG 3.75Å; M54-L84 HydrophobicContact SD-CD2 3.71Å; M54-L84 HydrophobicContact SD-CG 4.24Å; M54-R85 HydrophobicContact CE-CB 4.26Å; M54-R85 HydrophobicContact CE-CG 3.35Å; M54-R85 PolarHBondContact O-NE 3.01Å; M54-R85 PolarHBondContact O-NH1 3.13Å; M54-R85 VanDerWaalsContact O-NH1 3.09Å; M54-R85 PolarHBondContact O-NH2 3.13Å; M54-R85 HydrophobicContact SD-CG 4.28Å
55	S	69.5	Low	73.6	Confident	62 Å²	62	55.2 Å²	55.2	43%	0.434	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	57.3	176.7	62.8	0	0	0	0	112.7	A51 A52 L53 R57	A51-S55 PolarHBondContact O-N 2.63Å; A51-S55 PolarHBondContact O-OG 3.35Å; A52-S55 CarbonylContact O-C 2.98Å; A52-S55 PolarHBondContact O-N 3.19Å; A52-S55 VanDerWaalsContact O-N 3.11Å; L53-S55 PolarHBondContact O-N 3.19Å; S55-R57 PolarHBondContact O-N 3.02Å; S55-R57 VanDerWaalsContact O-N 3.14Å
56	L	70	Confident	74.2	Confident	19 Å²	19	62.2 Å²	62.2	10%	0.099	31%	0.305	C	S	.	.			trans	-50.6	123.2	179.4	-75.7	175.3	0	0	0	111.1	L42 V48 A52 L53 D60 L61 L77 M78 I81	L42-L56 HydrophobicContact CD1-CD1 4.23Å; L42-L56 HydrophobicContact CD1-CD2 4.19Å; L42-L56 HydrophobicContact CD2-CD2 4.13Å; V48-L56 HydrophobicContact CG1-CD2 4.4Å; A52-L56 WeakPolarHBondContact O-CA 3.47Å; A52-L56 PolarHBondContact O-N 3.44Å; L53-L56 HydrophobicContact CD2-CD2 4.41Å; L56-D60 HydrophobicContact CD2-CB 3.95Å; L56-L61 HydrophobicContact CB-CD2 4.32Å; L56-L61 HydrophobicContact CD1-CD2 4.22Å; L56-L77 HydrophobicContact CD1-CD2 3.57Å; L56-L77 HydrophobicContact CD1-CG 4.2Å; L56-M78 HydrophobicContact CB-SD 4.27Å; L56-M78 HydrophobicContact CD1-SD 4.25Å; L56-I81 HydrophobicContact CD1-CD1 3.34Å; L56-I81 HydrophobicContact CG-CD1 4.01Å
57	R	70	Confident	74.5	Confident	140 Å²	140	60.8 Å²	60.8	53%	0.528	31%	0.311	S	S	.	.			trans	-79.5	160.9	-178.6	-65.4	176.4	-73.9	-177.2	-7.9	109.6	S55 E59 D60 L61	S55-R57 PolarHBondContact O-N 3.02Å; S55-R57 VanDerWaalsContact O-N 3.14Å; R57-E59 IonicContact CZ-OE2 2.73Å; R57-E59 IonicContact NE-OE2 3.53Å; R57-E59 IonicContact NH1-OE2 3.87Å; R57-E59 PolarHBondContact O-N 3.39Å; R57-D60 WeakPolarHBondContact CB-OD2 3.23Å; R57-D60 PolarHBondContact N-OD2 3.37Å; R57-D60 VanDerWaalsContact N-OD2 3.08Å; R57-D60 IonicContact NE-OD2 3.56Å; R57-D60 WeakPolarHBondContact O-CB 3.33Å; R57-D60 PolarHBondContact O-N 3.2Å; R57-L61 PolarHBondContact O-N 2.92Å; R57-L61 VanDerWaalsContact O-N 3.17Å
58	K	75.8	Confident	74.9	Confident	156 Å²	156	57 Å²	57	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-55	-35	173.1	-171.1	179.6	178.9	-177.4	0	111.6	D60 L61 N62	K58-D60 VanDerWaalsContact C-N 3.32Å; K58-D60 PolarHBondContact O-N 3.12Å; K58-L61 PolarHBondContact O-N 2.72Å; K58-N62 WeakPolarHBondContact O-CB 3.31Å; K58-N62 VanDerWaalsContact O-CG 3.24Å; K58-N62 PolarHBondContact O-N 2.78Å; K58-N62 PolarHBondContact O-ND2 3.27Å
59	E	78.2	Confident	75.5	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174.6	-60.9	109.2	-135.6	0	0	112.7	R57 A63	R57-E59 IonicContact CZ-OE2 2.73Å; R57-E59 IonicContact NE-OE2 3.53Å; R57-E59 IonicContact NH1-OE2 3.87Å; R57-E59 PolarHBondContact O-N 3.39Å; E59-A63 WeakPolarHBondContact O-CB 3.48Å; E59-A63 PolarHBondContact O-N 3.43Å
60	D	75	Confident	76.3	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-70.6	-40.7	-178.9	-56.4	-47	0	0	0	111.6	R46 L56 R57 K58 A63 A64	R46-D60 IonicContact CZ-OD1 2.62Å; R46-D60 IonicContact NH1-OD1 3.33Å; R46-D60 PolarHBondContact NH1-OD1 3.44Å; L56-D60 HydrophobicContact CD2-CB 3.95Å; R57-D60 WeakPolarHBondContact CB-OD2 3.23Å; R57-D60 PolarHBondContact N-OD2 3.37Å; R57-D60 VanDerWaalsContact N-OD2 3.08Å; R57-D60 IonicContact NE-OD2 3.56Å; R57-D60 WeakPolarHBondContact O-CB 3.33Å; R57-D60 PolarHBondContact O-N 3.2Å; K58-D60 VanDerWaalsContact C-N 3.32Å; K58-D60 PolarHBondContact O-N 3.12Å; D60-A63 PolarHBondContact O-N 3.19Å; D60-A64 PolarHBondContact O-N 3.01Å; D60-A64 VanDerWaalsContact O-N 3.12Å
61	L	77	Confident	77.2	Confident	42 Å²	42	63.4 Å²	63.4	22%	0.22	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-40.8	175.4	-58.6	173.7	0	0	0	111.7	L56 R57 K58 A64 L65 L74 M78	L56-L61 HydrophobicContact CB-CD2 4.32Å; L56-L61 HydrophobicContact CD1-CD2 4.22Å; R57-L61 PolarHBondContact O-N 2.92Å; R57-L61 VanDerWaalsContact O-N 3.17Å; K58-L61 PolarHBondContact O-N 2.72Å; L61-A64 WeakPolarHBondContact O-CB 3.26Å; L61-A64 PolarHBondContact O-N 2.84Å; L61-L65 PolarHBondContact O-N 2.92Å; L61-L65 VanDerWaalsContact O-N 3.11Å; L61-L74 HydrophobicContact CB-CD2 4.09Å; L61-L74 HydrophobicContact CD2-CD2 3.37Å; L61-L74 HydrophobicContact CG-CD2 4.33Å; L61-M78 HydrophobicContact CD1-SD 4.37Å; L61-M78 HydrophobicContact CD2-CG 4.15Å; L61-M78 HydrophobicContact CD2-SD 3.97Å
62	N	81.9	Confident	78.1	Confident	65 Å²	65	69.2 Å²	69.2	35%	0.348	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.5	-77.2	-15.1	0	0	0	111.6	K58 A64 L65 Y66	K58-N62 WeakPolarHBondContact O-CB 3.31Å; K58-N62 VanDerWaalsContact O-CG 3.24Å; K58-N62 PolarHBondContact O-N 2.78Å; K58-N62 PolarHBondContact O-ND2 3.27Å; N62-A64 VanDerWaalsContact C-N 3.28Å; N62-A64 PolarHBondContact O-N 2.7Å; N62-L65 PolarHBondContact O-N 2.73Å; N62-Y66 HydrophobicContact CB-CE2 4.43Å; N62-Y66 WeakPolarHBondContact O-CD2 3.5Å; N62-Y66 PolarHBondContact O-N 2.77Å
63	A	80.6	Confident	78.8	Confident	20 Å²	20	71.5 Å²	71.5	17%	0.165	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-37.9	176.5	0	0	0	0	0	111.9	E59 D60 Y66 S67	E59-A63 WeakPolarHBondContact O-CB 3.48Å; E59-A63 PolarHBondContact O-N 3.43Å; D60-A63 PolarHBondContact O-N 3.19Å; A63-Y66 PolarHBondContact O-N 2.83Å; A63-S67 WeakPolarHBondContact O-CB 3.4Å; A63-S67 PolarHBondContact O-N 3.37Å; A63-S67 PolarHBondContact O-OG 3.15Å
64	A	79.9	Confident	79.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-46.1	173.8	0	0	0	0	0	112.1	W38 F41 D60 L61 N62 Y66 S67 G68 Y69 L74	W38-A64 HydrophobicContact CH2-CB 4.21Å; W38-A64 HydrophobicContact CZ3-CB 3.98Å; F41-A64 HydrophobicContact CD1-CB 4.42Å; F41-A64 HydrophobicContact CE1-CB 3.65Å; F41-A64 HydrophobicContact CZ-CB 4.15Å; D60-A64 PolarHBondContact O-N 3.01Å; D60-A64 VanDerWaalsContact O-N 3.12Å; L61-A64 WeakPolarHBondContact O-CB 3.26Å; L61-A64 PolarHBondContact O-N 2.84Å; N62-A64 VanDerWaalsContact C-N 3.28Å; N62-A64 PolarHBondContact O-N 2.7Å; A64-Y66 VanDerWaalsContact C-N 3.34Å; A64-Y66 PolarHBondContact O-N 3.23Å; A64-S67 PolarHBondContact O-N 3.11Å; A64-G68 PolarHBondContact O-N 2.72Å; A64-Y69 HydrophobicContact CB-CD2 4.13Å; A64-Y69 PolarHBondContact O-N 2.86Å; A64-L74 HydrophobicContact CB-CD1 4.14Å; A64-L74 HydrophobicContact CB-CD2 3.79Å; A64-L74 HydrophobicContact CB-CG 4.24Å
65	L	83.1	Confident	79.9	Confident	70 Å²	70	75.8 Å²	75.8	37%	0.366	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-45.7	175.8	-71.1	171	0	0	0	111.8	L61 N62 S67 G68 L71 L74	L61-L65 PolarHBondContact O-N 2.92Å; L61-L65 VanDerWaalsContact O-N 3.11Å; N62-L65 PolarHBondContact O-N 2.73Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-G68 PolarHBondContact O-N 2.89Å; L65-G68 VanDerWaalsContact O-N 3.15Å; L65-L71 HydrophobicContact CD2-CD1 4.32Å; L65-L74 HydrophobicContact CD1-CD1 4.39Å; L65-L74 HydrophobicContact CD2-CD1 3.33Å; L65-L74 HydrophobicContact CG-CD1 3.44Å; L65-L74 VanDerWaalsContact CG-CD1 3.44Å
66	Y	87.4	Confident	80.5	Confident	207 Å²	207	75.1 Å²	75.1	81%	0.812	38%	0.384	S	S	*	.	H	α-helix	trans	-65.3	-24	177.3	-75	-60.6	0	0	0	113.5	N62 A63 A64 G68	N62-Y66 HydrophobicContact CB-CE2 4.43Å; N62-Y66 WeakPolarHBondContact O-CD2 3.5Å; N62-Y66 PolarHBondContact O-N 2.77Å; A63-Y66 PolarHBondContact O-N 2.83Å; A64-Y66 VanDerWaalsContact C-N 3.34Å; A64-Y66 PolarHBondContact O-N 3.23Å; Y66-G68 VanDerWaalsContact C-N 3.27Å
67	S	83.7	Confident	81	Confident	75 Å²	75	74.3 Å²	74.3	52%	0.524	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.8	178.4	-54	0	0	0	0	113	F41 A63 A64 L65	F41-S67 WeakPolarHBondContact CE2-OG 3.4Å; A63-S67 WeakPolarHBondContact O-CB 3.4Å; A63-S67 PolarHBondContact O-N 3.37Å; A63-S67 PolarHBondContact O-OG 3.15Å; A64-S67 PolarHBondContact O-N 3.11Å; L65-S67 PolarHBondContact O-N 3.45Å
68	G	84.9	Confident	81.4	Confident	63 Å²	63	69.4 Å²	69.4	65%	0.649	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	1.1	174.4	0	0	0	0	0	115.3	A64 L65 Y66	A64-G68 PolarHBondContact O-N 2.72Å; L65-G68 PolarHBondContact O-N 2.89Å; L65-G68 VanDerWaalsContact O-N 3.15Å; Y66-G68 VanDerWaalsContact C-N 3.27Å
69	Y	85.5	Confident	81.5	Confident	49 Å²	49	66.3 Å²	66.3	19%	0.192	35%	0.354	C	S	.	.			trans	-70.5	140.8	172.3	-69.4	-79.5	0	0	0	110.9	W38 F41 A64 E73	W38-Y69 AromaticContact CH2-CD1 3.81Å; W38-Y69 HydrophobicContact CH2-CD1 3.81Å; W38-Y69 HydrophobicContact CH2-CD2 4.18Å; W38-Y69 HydrophobicContact CH2-CE1 4.26Å; W38-Y69 AromaticContact CH2-CG 3.76Å; W38-Y69 HydrophobicContact CH2-CG 3.76Å; W38-Y69 AromaticContact CZ2-CD1 3.94Å; W38-Y69 HydrophobicContact CZ2-CD1 3.94Å; W38-Y69 HydrophobicContact CZ2-CE1 4.28Å; W38-Y69 HydrophobicContact CZ2-CG 4.34Å; W38-Y69 HydrophobicContact CZ3-CD1 4.45Å; W38-Y69 HydrophobicContact CZ3-CD2 4.25Å; W38-Y69 HydrophobicContact CZ3-CE2 4.37Å; W38-Y69 HydrophobicContact CZ3-CG 4.28Å; F41-Y69 HydrophobicContact CB-CE2 4.15Å; F41-Y69 HydrophobicContact CD1-CE2 4.09Å; F41-Y69 AromaticContact CD2-CE2 3.78Å; F41-Y69 HydrophobicContact CD2-CE2 3.78Å; F41-Y69 HydrophobicContact CE2-CE2 4.22Å; F41-Y69 AromaticContact CG-CE2 3.71Å; F41-Y69 HydrophobicContact CG-CE2 3.71Å; A64-Y69 HydrophobicContact CB-CD2 4.13Å; A64-Y69 PolarHBondContact O-N 2.86Å; Y69-E73 WeakPolarHBondContact CA-OE2 3.4Å
70	T	86.4	Confident	81.4	Confident	71 Å²	71	61.8 Å²	61.8	44%	0.436	34%	0.335	S	S	.	.			trans	-77.4	158.1	176.8	65.3	0	0	0	0	111.5	E72 E73 L74	T70-E72 PolarHBondContact O-N 2.9Å; T70-E73 WeakPolarHBondContact CB-OE2 3.18Å; T70-E73 PolarHBondContact N-OE2 2.88Å; T70-E73 PolarHBondContact O-N 3.46Å; T70-E73 VanDerWaalsContact OG1-CG 3.24Å; T70-E73 WeakPolarHBondContact OG1-CG 3.39Å; T70-E73 PolarHBondContact OG1-N 3.43Å; T70-E73 PolarHBondContact OG1-OE2 2.75Å; T70-L74 PolarHBondContact O-N 3.36Å; T70-L74 VanDerWaalsContact O-N 3.12Å
71	L	82.9	Confident	81.4	Confident	112 Å²	112	61.8 Å²	61.8	59%	0.586	34%	0.335	S	S	*	.	H	α-helix	trans	-59.7	-31.4	173.7	-159.9	84.2	0	0	0	111.9	L65 L74 N75	L65-L71 HydrophobicContact CD2-CD1 4.32Å; L71-L74 PolarHBondContact O-N 2.88Å; L71-N75 WeakPolarHBondContact O-CB 3.29Å; L71-N75 VanDerWaalsContact O-CG 3.28Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 3.14Å
72	E	84	Confident	81.2	Confident	162 Å²	162	65.9 Å²	65.9	76%	0.757	35%	0.347	S	S	*	.	H	α-helix	trans	-71	-42.1	-179.1	-157.1	165.7	-162.6	0	0	111.5	T70 L74 N75 S76	T70-E72 PolarHBondContact O-N 2.9Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 2.64Å; E72-N75 PolarHBondContact O-N 2.95Å; E72-S76 WeakPolarHBondContact O-CB 3.27Å; E72-S76 PolarHBondContact O-N 3.07Å
73	E	83.1	Confident	80.7	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-41	172.3	-70.9	163.9	138.1	0	0	111.6	W38 Y69 T70 S76 L77	W38-E73 HydrophobicContact CZ2-CB 4.07Å; Y69-E73 WeakPolarHBondContact CA-OE2 3.4Å; T70-E73 WeakPolarHBondContact CB-OE2 3.18Å; T70-E73 PolarHBondContact N-OE2 2.88Å; T70-E73 PolarHBondContact O-N 3.46Å; T70-E73 VanDerWaalsContact OG1-CG 3.24Å; T70-E73 WeakPolarHBondContact OG1-CG 3.39Å; T70-E73 PolarHBondContact OG1-N 3.43Å; T70-E73 PolarHBondContact OG1-OE2 2.75Å; E73-S76 WeakPolarHBondContact O-CB 3.34Å; E73-S76 PolarHBondContact O-N 3.04Å; E73-L77 PolarHBondContact O-N 3.39Å
74	L	81.7	Confident	80.3	Confident	8 Å²	8	65 Å²	65	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-43.2	175.6	-87.4	153.7	0	0	0	113	W38 L61 A64 L65 T70 L71 E72 S76 L77 M78	W38-L74 HydrophobicContact CH2-CD2 4.12Å; W38-L74 HydrophobicContact CH2-CG 4.08Å; L61-L74 HydrophobicContact CB-CD2 4.09Å; L61-L74 HydrophobicContact CD2-CD2 3.37Å; L61-L74 HydrophobicContact CG-CD2 4.33Å; A64-L74 HydrophobicContact CB-CD1 4.14Å; A64-L74 HydrophobicContact CB-CD2 3.79Å; A64-L74 HydrophobicContact CB-CG 4.24Å; L65-L74 HydrophobicContact CD1-CD1 4.39Å; L65-L74 HydrophobicContact CD2-CD1 3.33Å; L65-L74 HydrophobicContact CG-CD1 3.44Å; L65-L74 VanDerWaalsContact CG-CD1 3.44Å; T70-L74 PolarHBondContact O-N 3.36Å; T70-L74 VanDerWaalsContact O-N 3.12Å; L71-L74 PolarHBondContact O-N 2.88Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 2.64Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-L77 PolarHBondContact O-N 3.38Å; L74-M78 WeakPolarHBondContact O-CG 3.38Å; L74-M78 PolarHBondContact O-N 2.82Å
75	N	77.9	Confident	79.7	Confident	85 Å²	85	68.8 Å²	68.8	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.8	-75.7	-29	0	0	0	110.8	L71 E72 L77 M78 D79	L71-N75 WeakPolarHBondContact O-CB 3.29Å; L71-N75 VanDerWaalsContact O-CG 3.28Å; L71-N75 PolarHBondContact O-N 3.42Å; L71-N75 PolarHBondContact O-ND2 3.14Å; E72-N75 PolarHBondContact O-N 2.95Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.07Å; N75-M78 PolarHBondContact O-N 3.26Å; N75-D79 WeakPolarHBondContact O-CB 3.36Å; N75-D79 PolarHBondContact O-N 3Å
76	S	80.6	Confident	78.9	Confident	48 Å²	48	70.8 Å²	70.8	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-41.5	176.1	-175.6	0	0	0	0	112.5	K35 E72 E73 L74 C80	K35-S76 WeakPolarHBondContact CE-OG 3.43Å; K35-S76 PolarHBondContact NZ-OG 3.26Å; E72-S76 WeakPolarHBondContact O-CB 3.27Å; E72-S76 PolarHBondContact O-N 3.07Å; E73-S76 WeakPolarHBondContact O-CB 3.34Å; E73-S76 PolarHBondContact O-N 3.04Å; L74-S76 VanDerWaalsContact C-N 3.32Å; S76-C80 WeakPolarHBondContact O-CB 3.44Å; S76-C80 PolarHBondContact O-N 2.9Å
77	L	81.1	Confident	77.9	Confident	1 Å²	1	62 Å²	62	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-47.9	173.2	173	69.1	0	0	0	111.8	L30 W38 L42 L56 E73 L74 N75 D79 C80 I81	L30-L77 HydrophobicContact CD2-CD1 3.94Å; W38-L77 HydrophobicContact CB-CD1 4.03Å; W38-L77 HydrophobicContact CD2-CB 4.3Å; W38-L77 HydrophobicContact CD2-CD1 3.98Å; W38-L77 HydrophobicContact CD2-CD2 3.66Å; W38-L77 HydrophobicContact CD2-CG 4.18Å; W38-L77 HydrophobicContact CE3-CD2 3.57Å; W38-L77 HydrophobicContact CG-CD1 3.69Å; W38-L77 HydrophobicContact CG-CD2 4.28Å; W38-L77 HydrophobicContact CG-CG 4.4Å; W38-L77 HydrophobicContact CH2-CD2 4.08Å; W38-L77 HydrophobicContact CZ2-CB 4.09Å; W38-L77 HydrophobicContact CZ2-CD2 4.18Å; W38-L77 HydrophobicContact CZ3-CD2 3.79Å; L42-L77 HydrophobicContact CD1-CD2 3.81Å; L56-L77 HydrophobicContact CD1-CD2 3.57Å; L56-L77 HydrophobicContact CD1-CG 4.2Å; E73-L77 PolarHBondContact O-N 3.39Å; L74-L77 PolarHBondContact O-N 3.38Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.07Å; L77-D79 VanDerWaalsContact C-N 3.28Å; L77-D79 PolarHBondContact O-N 2.9Å; L77-C80 WeakPolarHBondContact O-CB 3.47Å; L77-C80 PolarHBondContact O-N 3.27Å; L77-C80 VanDerWaalsContact O-N 3.15Å; L77-I81 HydrophobicContact CD1-CD1 3.81Å; L77-I81 HydrophobicContact CD1-CG1 4.26Å; L77-I81 HydrophobicContact CD2-CD1 4.37Å; L77-I81 HydrophobicContact CG-CD1 3.78Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.46Å
78	M	79	Confident	76.9	Confident	38 Å²	38	58.8 Å²	58.8	19%	0.187	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-38.8	-179.7	-75.9	-64.2	-63.5	0	0	111.8	L56 L61 L74 N75 I81 R82	L56-M78 HydrophobicContact CB-SD 4.27Å; L56-M78 HydrophobicContact CD1-SD 4.25Å; L61-M78 HydrophobicContact CD1-SD 4.37Å; L61-M78 HydrophobicContact CD2-CG 4.15Å; L61-M78 HydrophobicContact CD2-SD 3.97Å; L74-M78 WeakPolarHBondContact O-CG 3.38Å; L74-M78 PolarHBondContact O-N 2.82Å; N75-M78 PolarHBondContact O-N 3.26Å; M78-I81 PolarHBondContact O-N 2.96Å; M78-R82 WeakPolarHBondContact O-CB 3.5Å; M78-R82 VanDerWaalsContact O-CG 3.25Å; M78-R82 WeakPolarHBondContact O-CG 3.03Å; M78-R82 PolarHBondContact O-N 3.49Å
79	D	77.9	Confident	75.6	Confident	91 Å²	91	59 Å²	59	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-68.9	-37.2	175.8	-71	-16	0	0	0	111.7	N75 L77 R82 S83	N75-D79 WeakPolarHBondContact O-CB 3.36Å; N75-D79 PolarHBondContact O-N 3Å; L77-D79 VanDerWaalsContact C-N 3.28Å; L77-D79 PolarHBondContact O-N 2.9Å; D79-R82 PolarHBondContact O-N 3.4Å; D79-R82 IonicContact OD1-NH1 3.64Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; D79-S83 WeakPolarHBondContact O-CB 3.49Å; D79-S83 PolarHBondContact O-N 2.97Å
80	C	76.2	Confident	74.1	Confident	17 Å²	17	58.3 Å²	58.3	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-48.1	172	-177.5	0	0	0	0	112.3	W29 V33 S76 L77 S83 L84	W29-C80 PolarHBondContact NE1-SG 2.92Å; V33-C80 WeakPolarHBondContact CG2-SG 3.1Å; S76-C80 WeakPolarHBondContact O-CB 3.44Å; S76-C80 PolarHBondContact O-N 2.9Å; L77-C80 WeakPolarHBondContact O-CB 3.47Å; L77-C80 PolarHBondContact O-N 3.27Å; L77-C80 VanDerWaalsContact O-N 3.15Å; C80-S83 WeakPolarHBondContact O-CB 3.22Å; C80-S83 PolarHBondContact O-N 3.48Å; C80-L84 PolarHBondContact O-N 3.24Å
81	I	74.1	Confident	72.9	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-41	178.6	-68.7	163.6	0	0	0	110.9	L53 M54 L56 L77 M78 S83 L84 R85	L53-I81 WeakPolarHBondContact O-CD1 3.44Å; M54-I81 HydrophobicContact SD-CG2 4.1Å; L56-I81 HydrophobicContact CD1-CD1 3.34Å; L56-I81 HydrophobicContact CG-CD1 4.01Å; L77-I81 HydrophobicContact CD1-CD1 3.81Å; L77-I81 HydrophobicContact CD1-CG1 4.26Å; L77-I81 HydrophobicContact CD2-CD1 4.37Å; L77-I81 HydrophobicContact CG-CD1 3.78Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.46Å; M78-I81 PolarHBondContact O-N 2.96Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-L84 PolarHBondContact O-N 3.41Å; I81-R85 PolarHBondContact O-N 2.82Å
82	R	72.8	Confident	71.6	Confident	127 Å²	127	56 Å²	56	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-43.4	173.3	-77.1	174.5	-172.5	132	1.1	111.3	M78 D79 L84 R85 I86	M78-R82 WeakPolarHBondContact O-CB 3.5Å; M78-R82 VanDerWaalsContact O-CG 3.25Å; M78-R82 WeakPolarHBondContact O-CG 3.03Å; M78-R82 PolarHBondContact O-N 3.49Å; D79-R82 PolarHBondContact O-N 3.4Å; D79-R82 IonicContact OD1-NH1 3.64Å; D79-R82 PolarHBondContact OD1-NH1 2.96Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.93Å; R82-R85 WeakPolarHBondContact O-CB 3.4Å; R82-R85 PolarHBondContact O-N 3.39Å; R82-I86 WeakPolarHBondContact O-CG1 3.36Å; R82-I86 PolarHBondContact O-N 3.22Å
83	S	72.1	Confident	70.1	Confident	62 Å²	62	53.8 Å²	53.8	43%	0.434	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.2	-169.8	0	0	0	0	111.4	D79 C80 I81 R85 I86 E87	D79-S83 WeakPolarHBondContact O-CB 3.49Å; D79-S83 PolarHBondContact O-N 2.97Å; C80-S83 WeakPolarHBondContact O-CB 3.22Å; C80-S83 PolarHBondContact O-N 3.48Å; I81-S83 VanDerWaalsContact C-N 3.33Å; S83-R85 PolarHBondContact O-N 3.24Å; S83-I86 PolarHBondContact O-N 2.86Å; S83-E87 WeakPolarHBondContact O-CB 3.39Å; S83-E87 PolarHBondContact O-N 3.01Å
84	L	71.7	Confident	68.9	Low	6 Å²	6	52.1 Å²	52.1	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-45.1	175	-179.9	58.8	0	0	0	111.4	V26 W29 M54 C80 I81 R82 E87 Q88 L95	V26-L84 HydrophobicContact CB-CD2 4.5Å; V26-L84 HydrophobicContact CG2-CD2 3.79Å; W29-L84 HydrophobicContact CB-CD1 4.34Å; W29-L84 HydrophobicContact CB-CD2 4.11Å; W29-L84 HydrophobicContact CD2-CD1 3.69Å; W29-L84 HydrophobicContact CE3-CD1 4.14Å; W29-L84 HydrophobicContact CG-CB 4.46Å; W29-L84 HydrophobicContact CG-CD1 3.75Å; W29-L84 HydrophobicContact CG-CD2 3.83Å; W29-L84 HydrophobicContact CG-CG 4.22Å; M54-L84 HydrophobicContact CE-CB 4.31Å; M54-L84 HydrophobicContact CE-CD2 3.84Å; M54-L84 HydrophobicContact CE-CG 3.75Å; M54-L84 HydrophobicContact SD-CD2 3.71Å; M54-L84 HydrophobicContact SD-CG 4.24Å; C80-L84 PolarHBondContact O-N 3.24Å; I81-L84 PolarHBondContact O-N 3.41Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.93Å; L84-E87 PolarHBondContact O-N 3.04Å; L84-Q88 HydrophobicContact CD1-CG 4.44Å; L84-Q88 WeakPolarHBondContact O-CB 3.39Å; L84-Q88 WeakPolarHBondContact O-CG 3.46Å; L84-Q88 PolarHBondContact O-N 2.87Å; L84-L95 HydrophobicContact CD1-CD1 3.48Å; L84-L95 VanDerWaalsContact CD1-CD1 3.48Å; L84-L95 HydrophobicContact CD1-CD2 3.79Å; L84-L95 HydrophobicContact CD1-CG 4.25Å
85	R	67.1	Low	67.9	Low	79 Å²	79	52.7 Å²	52.7	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176.5	-86.8	-174.6	155.8	175.9	-2.3	112.4	M54 I81 R82 S83 E87 Q88 L89	M54-R85 HydrophobicContact CE-CB 4.26Å; M54-R85 HydrophobicContact CE-CG 3.35Å; M54-R85 PolarHBondContact O-NE 3.01Å; M54-R85 PolarHBondContact O-NH1 3.13Å; M54-R85 VanDerWaalsContact O-NH1 3.09Å; M54-R85 PolarHBondContact O-NH2 3.13Å; M54-R85 HydrophobicContact SD-CG 4.28Å; I81-R85 PolarHBondContact O-N 2.82Å; R82-R85 WeakPolarHBondContact O-CB 3.4Å; R82-R85 PolarHBondContact O-N 3.39Å; S83-R85 PolarHBondContact O-N 3.24Å; R85-E87 VanDerWaalsContact C-N 3.28Å; R85-E87 PolarHBondContact O-N 2.9Å; R85-Q88 PolarHBondContact O-N 3.14Å; R85-L89 WeakPolarHBondContact O-CG 3.24Å; R85-L89 PolarHBondContact O-N 3.08Å; R85-L89 VanDerWaalsContact O-N 3.11Å
86	I	66.8	Low	67.1	Low	112 Å²	112	50.2 Å²	50.2	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-43.7	177.6	-69.8	167.5	0	0	0	109.5	R82 S83 L89 S90	R82-I86 WeakPolarHBondContact O-CG1 3.36Å; R82-I86 PolarHBondContact O-N 3.22Å; S83-I86 PolarHBondContact O-N 2.86Å; I86-L89 PolarHBondContact O-N 3.31Å; I86-S90 VanDerWaalsContact O-CB 3.29Å; I86-S90 WeakPolarHBondContact O-CB 3.22Å; I86-S90 PolarHBondContact O-N 2.79Å; I86-S90 PolarHBondContact O-OG 2.85Å
87	E	65.5	Low	66	Low	21 Å²	21	48.8 Å²	48.8	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-37.5	-178.5	-156.2	165.1	-134.5	0	0	112.5	W29 S83 L84 R85 L89 S90 N91 L95 R98	W29-E87 WeakPolarHBondContact CH2-OE2 3.38Å; S83-E87 WeakPolarHBondContact O-CB 3.39Å; S83-E87 PolarHBondContact O-N 3.01Å; L84-E87 PolarHBondContact O-N 3.04Å; R85-E87 VanDerWaalsContact C-N 3.28Å; R85-E87 PolarHBondContact O-N 2.9Å; E87-L89 VanDerWaalsContact C-N 3.3Å; E87-L89 PolarHBondContact O-N 3.41Å; E87-S90 PolarHBondContact O-N 3.12Å; E87-N91 CarbonylContact O-C 3.15Å; E87-N91 WeakPolarHBondContact O-CA 3.36Å; E87-N91 PolarHBondContact O-N 3.37Å; E87-L95 HydrophobicContact CB-CD1 4.49Å; E87-L95 HydrophobicContact CG-CB 4.32Å; E87-L95 HydrophobicContact CG-CD1 4.38Å; E87-R98 VanDerWaalsContact CD-NH1 3.32Å; E87-R98 IonicContact OE1-CZ 3.73Å; E87-R98 IonicContact OE1-NH1 3.85Å; E87-R98 PolarHBondContact OE1-NH1 3.17Å; E87-R98 IonicContact OE1-NH2 2.93Å; E87-R98 IonicContact OE2-NH1 2.77Å; E87-R98 PolarHBondContact OE2-NH1 3.33Å
88	Q	64.3	Low	65	Low	9 Å²	9	50.3 Å²	50.3	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-42.2	170.6	-79.9	-177	-25.4	0	0	112.5	L84 R85 L95	L84-Q88 HydrophobicContact CD1-CG 4.44Å; L84-Q88 WeakPolarHBondContact O-CB 3.39Å; L84-Q88 WeakPolarHBondContact O-CG 3.46Å; L84-Q88 PolarHBondContact O-N 2.87Å; R85-Q88 PolarHBondContact O-N 3.14Å; Q88-L95 HydrophobicContact CB-CD2 4.24Å; Q88-L95 HydrophobicContact CG-CD2 3.26Å
89	L	56.2	Low	64.3	Low	66 Å²	66	49.8 Å²	49.8	35%	0.346	25%	0.254	S	S	.	.	H	α-helix	trans	-77.5	-38	-178.7	-71.7	170.2	0	0	0	112.5	L13 R85 I86 E87	L13-L89 HydrophobicContact CD1-CD1 4.03Å; L13-L89 HydrophobicContact CG-CD1 4.39Å; L13-L89 HydrophobicContact CG-CD2 4.11Å; L13-L89 HydrophobicContact CG-CG 4.39Å; R85-L89 WeakPolarHBondContact O-CG 3.24Å; R85-L89 PolarHBondContact O-N 3.08Å; R85-L89 VanDerWaalsContact O-N 3.11Å; I86-L89 PolarHBondContact O-N 3.31Å; E87-L89 VanDerWaalsContact C-N 3.3Å; E87-L89 PolarHBondContact O-N 3.41Å
90	S	55.6	Low	63.2	Low	35 Å²	35	46 Å²	46	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-95.4	-33.1	-170.8	58.9	0	0	0	0	114.2	I86 E87	I86-S90 VanDerWaalsContact O-CB 3.29Å; I86-S90 WeakPolarHBondContact O-CB 3.22Å; I86-S90 PolarHBondContact O-N 2.79Å; I86-S90 PolarHBondContact O-OG 2.85Å; E87-S90 PolarHBondContact O-N 3.12Å
91	N	61.1	Low	62.2	Low	79 Å²	79	49.4 Å²	49.4	42%	0.422	24%	0.244	S	C	.	.			trans	-147.2	62.1	-175.5	-76.7	-55.1	0	0	0	112.4	E87 D93 Q94 L95	E87-N91 CarbonylContact O-C 3.15Å; E87-N91 WeakPolarHBondContact O-CA 3.36Å; E87-N91 PolarHBondContact O-N 3.37Å; N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.3Å; N91-Q94 HydrophobicContact CB-CB 3.89Å; N91-Q94 PolarHBondContact O-N 3.24Å; N91-Q94 VanDerWaalsContact O-N 3.08Å; N91-L95 PolarHBondContact O-N 2.75Å
92	P	55.2	Low	61.3	Low	55 Å²	55	50 Å²	50	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-36.7	-176.4	22.1	-33	0	0	0	113.5	Q94 L95 L96	P92-Q94 VanDerWaalsContact C-N 3.34Å; P92-Q94 PolarHBondContact O-N 3.34Å; P92-L95 PolarHBondContact O-N 2.91Å; P92-L96 WeakPolarHBondContact O-CB 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å
93	D	51.1	Low	60.3	Low	117 Å²	117	46.5 Å²	46.5	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-36.3	178	-66.6	-28.3	0	0	0	112.1	N91 L96 F97 F164	N91-D93 VanDerWaalsContact C-N 3.29Å; N91-D93 PolarHBondContact O-N 3.3Å; D93-L96 PolarHBondContact O-N 3.49Å; D93-F97 WeakPolarHBondContact O-CB 3.28Å; D93-F97 PolarHBondContact O-N 3.4Å; D93-F164 HydrophobicContact CB-CZ 4.44Å
94	Q	58.5	Low	59.3	Low	30 Å²	30	44.1 Å²	44.1	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-73.4	-37.4	179.8	-159.8	166.7	22.4	0	0	111.2	N91 P92 F97 R98 F161	N91-Q94 HydrophobicContact CB-CB 3.89Å; N91-Q94 PolarHBondContact O-N 3.24Å; N91-Q94 VanDerWaalsContact O-N 3.08Å; P92-Q94 VanDerWaalsContact C-N 3.34Å; P92-Q94 PolarHBondContact O-N 3.34Å; Q94-F97 PolarHBondContact O-N 2.85Å; Q94-R98 PolarHBondContact O-N 3.07Å; Q94-F161 PolarHBondContact NE2-O 3.4Å
95	L	61.9	Low	58.2	Low	20 Å²	20	46.9 Å²	46.9	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-48.1	171.2	-176.8	70.2	0	0	0	111	W29 L84 E87 Q88 N91 P92 F97 R98 Y99	W29-L95 HydrophobicContact CE3-CD1 3.76Å; W29-L95 HydrophobicContact CH2-CD1 4.19Å; W29-L95 HydrophobicContact CZ3-CD1 3.58Å; L84-L95 HydrophobicContact CD1-CD1 3.48Å; L84-L95 VanDerWaalsContact CD1-CD1 3.48Å; L84-L95 HydrophobicContact CD1-CD2 3.79Å; L84-L95 HydrophobicContact CD1-CG 4.25Å; E87-L95 HydrophobicContact CB-CD1 4.49Å; E87-L95 HydrophobicContact CG-CB 4.32Å; E87-L95 HydrophobicContact CG-CD1 4.38Å; Q88-L95 HydrophobicContact CB-CD2 4.24Å; Q88-L95 HydrophobicContact CG-CD2 3.26Å; N91-L95 PolarHBondContact O-N 2.75Å; P92-L95 PolarHBondContact O-N 2.91Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 3.4Å; L95-R98 PolarHBondContact O-N 2.72Å; L95-Y99 VanDerWaalsContact O-CB 3.32Å; L95-Y99 WeakPolarHBondContact O-CB 3.38Å; L95-Y99 PolarHBondContact O-N 2.89Å
96	L	59.8	Low	57.1	Low	34 Å²	34	46.6 Å²	46.6	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-45	175.8	175.9	59.8	0	0	0	111.3	P92 D93 Y99 L100 I222 F225	P92-L96 WeakPolarHBondContact O-CB 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å; D93-L96 PolarHBondContact O-N 3.49Å; L96-Y99 WeakPolarHBondContact O-CB 3.45Å; L96-Y99 PolarHBondContact O-N 3.04Å; L96-L100 HydrophobicContact CD1-CD1 4.13Å; L96-L100 HydrophobicContact CD1-CG 4.19Å; L96-L100 HydrophobicContact CG-CD1 4.09Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.14Å; L96-I222 HydrophobicContact CD2-CD1 4.05Å; L96-F225 HydrophobicContact CD1-CD1 3.57Å; L96-F225 HydrophobicContact CD1-CD2 3.99Å; L96-F225 HydrophobicContact CD1-CE1 3.17Å; L96-F225 HydrophobicContact CD1-CE2 3.65Å; L96-F225 HydrophobicContact CD1-CG 4.02Å; L96-F225 HydrophobicContact CD1-CZ 3.26Å; L96-F225 HydrophobicContact CD2-CG 4.43Å
97	F	58.5	Low	55.7	Low	17 Å²	17	43.1 Å²	43.1	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-47.1	177	178.8	-92.5	0	0	0	112.7	D93 Q94 L95 Y99 L100 Y101 F161 F164 Y340 F342	D93-F97 WeakPolarHBondContact O-CB 3.28Å; D93-F97 PolarHBondContact O-N 3.4Å; Q94-F97 PolarHBondContact O-N 2.85Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 3.4Å; F97-Y99 VanDerWaalsContact C-N 3.26Å; F97-Y99 PolarHBondContact O-N 3.3Å; F97-L100 PolarHBondContact O-N 3.1Å; F97-Y101 VanDerWaalsContact O-CB 3.29Å; F97-Y101 WeakPolarHBondContact O-CB 3.41Å; F97-Y101 PolarHBondContact O-N 3.03Å; F97-F161 HydrophobicContact CE1-CE2 4.19Å; F97-F161 HydrophobicContact CE1-CZ 4.42Å; F97-F164 HydrophobicContact CB-CE1 3.95Å; F97-F164 HydrophobicContact CB-CE2 4.14Å; F97-F164 HydrophobicContact CB-CZ 3.56Å; F97-F164 HydrophobicContact CD2-CD2 4.15Å; F97-F164 AromaticContact CD2-CE2 3.91Å; F97-F164 HydrophobicContact CD2-CE2 3.91Å; F97-F164 HydrophobicContact CD2-CZ 4.12Å; F97-F164 HydrophobicContact CG-CE1 4.22Å; F97-F164 HydrophobicContact CG-CE2 4.3Å; F97-F164 HydrophobicContact CG-CZ 4.03Å; F97-Y340 HydrophobicContact CZ-CD2 4.41Å; F97-F342 HydrophobicContact CD2-CZ 4.24Å; F97-F342 HydrophobicContact CE2-CE2 4.14Å; F97-F342 AromaticContact CE2-CZ 3.73Å; F97-F342 HydrophobicContact CE2-CZ 3.73Å
98	R	60.7	Low	54.2	Low	33 Å²	33	46.1 Å²	46.1	13%	0.125	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-41.9	176.6	-81.4	-176.1	-176.8	162	8.6	111.5	E87 Q94 L95 Y101 C102	E87-R98 VanDerWaalsContact CD-NH1 3.32Å; E87-R98 IonicContact OE1-CZ 3.73Å; E87-R98 IonicContact OE1-NH1 3.85Å; E87-R98 PolarHBondContact OE1-NH1 3.17Å; E87-R98 IonicContact OE1-NH2 2.93Å; E87-R98 IonicContact OE2-NH1 2.77Å; E87-R98 PolarHBondContact OE2-NH1 3.33Å; Q94-R98 PolarHBondContact O-N 3.07Å; L95-R98 PolarHBondContact O-N 2.72Å; R98-Y101 WeakPolarHBondContact O-CB 3.28Å; R98-Y101 PolarHBondContact O-N 2.77Å; R98-C102 WeakPolarHBondContact O-CB 2.82Å; R98-C102 PolarHBondContact O-N 3.48Å; R98-C102 PolarHBondContact O-SG 3.18Å; R98-C102 VanDerWaalsContact O-SG 3.34Å
99	Y	62.6	Low	52.7	Low	28 Å²	28	49.4 Å²	49.4	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-50.1	177	179.9	-105.7	0	0	0	111.8	A25 V28 L95 L96 F97 Y101 C102 L103 F225 P228	A25-Y99 HydrophobicContact CB-CE2 4.49Å; V28-Y99 HydrophobicContact CB-CD2 3.67Å; V28-Y99 HydrophobicContact CB-CE2 3.24Å; V28-Y99 HydrophobicContact CG1-CD2 3.65Å; V28-Y99 HydrophobicContact CG1-CE2 3.67Å; V28-Y99 HydrophobicContact CG2-CD2 4.25Å; V28-Y99 HydrophobicContact CG2-CE2 3.39Å; L95-Y99 VanDerWaalsContact O-CB 3.32Å; L95-Y99 WeakPolarHBondContact O-CB 3.38Å; L95-Y99 PolarHBondContact O-N 2.89Å; L96-Y99 WeakPolarHBondContact O-CB 3.45Å; L96-Y99 PolarHBondContact O-N 3.04Å; F97-Y99 VanDerWaalsContact C-N 3.26Å; F97-Y99 PolarHBondContact O-N 3.3Å; Y99-Y101 VanDerWaalsContact C-N 3.3Å; Y99-Y101 PolarHBondContact O-N 2.88Å; Y99-C102 PolarHBondContact O-N 2.84Å; Y99-L103 HydrophobicContact CD1-CD1 4.02Å; Y99-L103 HydrophobicContact CE1-CD1 3.76Å; Y99-L103 WeakPolarHBondContact O-CG 3.33Å; Y99-L103 PolarHBondContact O-N 2.95Å; Y99-F225 HydrophobicContact CD1-CZ 4.49Å; Y99-F225 HydrophobicContact CE1-CZ 4.35Å; Y99-P228 HydrophobicContact CD1-CG 4.08Å; Y99-P228 HydrophobicContact CE1-CB 4.48Å; Y99-P228 HydrophobicContact CE1-CG 3.12Å; Y99-P228 WeakPolarHBondContact OH-CG 3.37Å
100	L	55.8	Low	51.6	Low	11 Å²	11	50.7 Å²	50.7	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-38.3	174.5	-68	172.4	0	0	0	112.3	L96 F97 S104 F225 V329 F342	L96-L100 HydrophobicContact CD1-CD1 4.13Å; L96-L100 HydrophobicContact CD1-CG 4.19Å; L96-L100 HydrophobicContact CG-CD1 4.09Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.14Å; F97-L100 PolarHBondContact O-N 3.1Å; L100-S104 PolarHBondContact O-N 2.99Å; L100-F225 HydrophobicContact CD2-CE2 4.32Å; L100-F225 HydrophobicContact CD2-CZ 4.46Å; L100-V329 HydrophobicContact CD2-CG2 4.22Å; L100-F342 HydrophobicContact CB-CE1 4.16Å
101	Y	55.8	Low	50.6	Low	88 Å²	88	52.5 Å²	52.5	35%	0.345	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-46.5	176.3	177.5	-96.6	0	0	0	111.6	F97 R98 Y99 S104 V105 I334	F97-Y101 VanDerWaalsContact O-CB 3.29Å; F97-Y101 WeakPolarHBondContact O-CB 3.41Å; F97-Y101 PolarHBondContact O-N 3.03Å; R98-Y101 WeakPolarHBondContact O-CB 3.28Å; R98-Y101 PolarHBondContact O-N 2.77Å; Y99-Y101 VanDerWaalsContact C-N 3.3Å; Y99-Y101 PolarHBondContact O-N 2.88Å; Y101-S104 VanDerWaalsContact O-CB 3.26Å; Y101-S104 WeakPolarHBondContact O-CB 3.32Å; Y101-S104 PolarHBondContact O-N 2.83Å; Y101-S104 VanDerWaalsContact O-N 3.1Å; Y101-S104 PolarHBondContact O-OG 2.83Å; Y101-V105 HydrophobicContact CD1-CG2 4.32Å; Y101-V105 HydrophobicContact CE1-CG2 3.86Å; Y101-V105 PolarHBondContact O-N 3.13Å; Y101-I334 HydrophobicContact CE2-CD1 4.45Å
102	C	54.8	Low	49.1	Very low	22 Å²	22	56.2 Å²	56.2	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-73.5	-33	-176.5	-70.5	0	0	0	0	113.4	I32 R98 Y99 S104 V105 N106	I32-C102 HydrophobicContact CD1-CB 3.43Å; I32-C102 VanDerWaalsContact CD1-CB 3.43Å; I32-C102 VanDerWaalsContact CD1-SG 3.58Å; I32-C102 HydrophobicContact CG1-CB 3.32Å; I32-C102 WeakPolarHBondContact CG1-SG 3.23Å; R98-C102 WeakPolarHBondContact O-CB 2.82Å; R98-C102 PolarHBondContact O-N 3.48Å; R98-C102 PolarHBondContact O-SG 3.18Å; R98-C102 VanDerWaalsContact O-SG 3.34Å; Y99-C102 PolarHBondContact O-N 2.84Å; C102-S104 PolarHBondContact O-N 3.03Å; C102-V105 PolarHBondContact O-N 3.41Å; C102-V105 VanDerWaalsContact O-N 3.16Å; C102-N106 PolarHBondContact O-N 3.41Å
103	L	51.9	Low	48	Very low	52 Å²	52	62 Å²	62	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-57.8	-34.4	168.1	-73.2	169.4	0	0	0	111.6	V28 Y99 G107 P228	V28-L103 HydrophobicContact CG1-CD2 4.08Å; V28-L103 HydrophobicContact CG1-CG 4.12Å; V28-L103 HydrophobicContact CG2-CD2 3.88Å; Y99-L103 HydrophobicContact CD1-CD1 4.02Å; Y99-L103 HydrophobicContact CE1-CD1 3.76Å; Y99-L103 WeakPolarHBondContact O-CG 3.33Å; Y99-L103 PolarHBondContact O-N 2.95Å; L103-G107 PolarHBondContact O-N 3.2Å; L103-G107 VanDerWaalsContact O-N 3.16Å; L103-P228 HydrophobicContact CD1-CB 3.59Å; L103-P228 HydrophobicContact CD1-CG 3.28Å
104	S	50.5	Low	47	Very low	12 Å²	12	62.1 Å²	62.1	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-37.4	176.2	85.6	0	0	0	0	113.9	L100 Y101 C102	L100-S104 PolarHBondContact O-N 2.99Å; Y101-S104 VanDerWaalsContact O-CB 3.26Å; Y101-S104 WeakPolarHBondContact O-CB 3.32Å; Y101-S104 PolarHBondContact O-N 2.83Å; Y101-S104 VanDerWaalsContact O-N 3.1Å; Y101-S104 PolarHBondContact O-OG 2.83Å; C102-S104 PolarHBondContact O-N 3.03Å
105	V	48	Very low	45.7	Very low	65 Å²	65	70.8 Å²	70.8	39%	0.394	36%	0.363	S	S	.	.	H	α-helix	trans	-72.5	-41.8	-179.2	177.5	0	0	0	0	110.4	Y101 C102 N108	Y101-V105 HydrophobicContact CD1-CG2 4.32Å; Y101-V105 HydrophobicContact CE1-CG2 3.86Å; Y101-V105 PolarHBondContact O-N 3.13Å; C102-V105 PolarHBondContact O-N 3.41Å; C102-V105 VanDerWaalsContact O-N 3.16Å; V105-N108 PolarHBondContact O-N 2.93Å
106	N	45	Very low	44.4	Very low	73 Å²	73	79.1 Å²	79.1	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-73.3	-27.6	-179.6	-73.9	-10.6	0	0	0	113.4	C102 N108 S109	C102-N106 PolarHBondContact O-N 3.41Å; N106-N108 VanDerWaalsContact C-N 3.32Å; N106-N108 PolarHBondContact O-N 2.85Å; N106-S109 PolarHBondContact O-OG 3.32Å
107	G	37.5	Very low	42.9	Very low	39 Å²	39	82.5 Å²	82.5	40%	0.402	42%	0.424	S	S	.	.	H	α-helix	trans	-68.6	-26.3	174.8	0	0	0	0	0	114.5	L103 T111	L103-G107 PolarHBondContact O-N 3.2Å; L103-G107 VanDerWaalsContact O-N 3.16Å; G107-T111 PolarHBondContact O-OG1 3.29Å
108	N	34	Very low	41.3	Very low	84 Å²	84	92.3 Å²	92.3	45%	0.449	46%	0.461	S	S	.	.	H	α-helix	trans	-82.5	-21.7	-179.9	-75	-21.4	0	0	0	113.5	V105 N106	V105-N108 PolarHBondContact O-N 2.93Å; N106-N108 VanDerWaalsContact C-N 3.32Å; N106-N108 PolarHBondContact O-N 2.85Å
109	S	33	Very low	39.6	Very low	77 Å²	77	97.2 Å²	97.2	54%	0.538	50%	0.498	S	S	.	.	H	α-helix	trans	-77.8	-25.8	-174.9	75.3	0	0	0	0	113.8	N106	N106-S109 PolarHBondContact O-OG 3.32Å
110	T	32.2	Very low	37.8	Very low	94 Å²	94	99.6 Å²	99.6	58%	0.577	52%	0.524	S	S	*	.	H	α-helix	trans	-83.3	-32.2	-179.9	35.8	0	0	0	0	112.7
111	T	34	Very low	36.3	Very low	73 Å²	73	106.3 Å²	106.3	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-83.3	-18	-177.7	36.9	0	0	0	0	114.6	G107 K113 D114 R115	G107-T111 PolarHBondContact O-OG1 3.29Å; T111-K113 VanDerWaalsContact C-N 3.33Å; T111-D114 PolarHBondContact O-N 2.98Å; T111-R115 PolarHBondContact O-N 2.79Å; T111-R115 VanDerWaalsContact O-N 3.08Å
112	E	31.1	Very low	34.8	Very low	156 Å²	156	108.3 Å²	108.3	73%	0.729	58%	0.581	S	S	*	*	H	α-helix	trans	-72.5	-26.9	176.2	-132.2	-179.4	-167.5	0	0	112.8
113	K	31.2	Very low	33.3	Very low	178 Å²	178	112.7 Å²	112.7	77%	0.774	61%	0.611	S	S	*	*	H	α-helix	trans	-74.9	-33.9	171.9	-81.5	-175.9	175.7	177.2	0	112.9	T111	T111-K113 VanDerWaalsContact C-N 3.33Å
114	D	30.4	Very low	32	Very low	118 Å²	118	115.9 Å²	115.9	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-85.1	-19.5	-178.8	-76.9	-23.2	0	0	0	114.1	T111 K116 C117	T111-D114 PolarHBondContact O-N 2.98Å; D114-K116 VanDerWaalsContact C-N 3.25Å; D114-K116 PolarHBondContact O-N 3.03Å; D114-C117 PolarHBondContact O-N 2.8Å; D114-C117 VanDerWaalsContact O-N 3.14Å
115	R	31.1	Very low	31.1	Very low	212 Å²	212	127.1 Å²	127.1	80%	0.8	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	175.3	-94.6	-177.1	167.5	168	-1.8	114.9	T111 C117	T111-R115 PolarHBondContact O-N 2.79Å; T111-R115 VanDerWaalsContact O-N 3.08Å; R115-C117 VanDerWaalsContact C-N 3.33Å
116	K	33.6	Very low	30.1	Very low	195 Å²	195	132.3 Å²	132.3	85%	0.848	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.6	170.5	-79.5	-174.1	176.5	179.9	0	114	D114	D114-K116 VanDerWaalsContact C-N 3.25Å; D114-K116 PolarHBondContact O-N 3.03Å
117	C	28.7	Very low	29.3	Very low	105 Å²	105	135.6 Å²	135.6	71%	0.709	71%	0.713	S	S	*	*	S	Bend	trans	-113.8	1.4	-172.5	-78.9	0	0	0	0	115.9	D114 R115	D114-C117 PolarHBondContact O-N 2.8Å; D114-C117 VanDerWaalsContact O-N 3.14Å; R115-C117 VanDerWaalsContact C-N 3.33Å
118	R	25	Very low	29.1	Very low	223 Å²	223	141 Å²	141	84%	0.842	73%	0.733	S	S	*	*			trans	-144.4	69.8	-178.6	-67.1	-170.8	-174.1	-172.4	3.1	113.9
119	C	26	Very low	28.9	Very low	136 Å²	136	145.8 Å²	145.8	92%	0.919	75%	0.753	S	S	*	*			trans	-131.5	38.4	155	-72.3	0	0	0	0	110.5
120	A	23.6	Very low	28.8	Very low	78 Å²	78	150.4 Å²	150.4	65%	0.645	77%	0.77	S	S	*	*			trans	-115.9	122.5	168.7	0	0	0	0	0	107.7
121	N	24.3	Very low	28.8	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	78%	0.78	S	S	*	*			trans	78.8	116.9	-179.9	-43.2	-28.1	0	0	0	111.8
122	T	25.9	Very low	28.5	Very low	130 Å²	130	151.5 Å²	151.5	80%	0.798	79%	0.792	S	S	*	*			cis	-175	143.4	34.7	-2.2	0	0	0	0	104.2
123	C	22.4	Very low	28.3	Very low	115 Å²	115	153.2 Å²	153.2	78%	0.777	80%	0.797	S	S	*	*				-164.2	163	55.9	-101.5	0	0	0	0	110.8
124	P	25.2	Very low	28.1	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	79%	0.793	S	S	*	*			trans	-80.7	153.3	-161.8	35	-34.6	0	0	0	112.4
125	R	30	Very low	27.9	Very low	249 Å²	249	149.3 Å²	149.3	94%	0.94	79%	0.792	S	S	*	*			trans	-113.5	129.6	156.4	-93.7	-174.4	167.7	-178.4	-4.7	108.9
126	E	27	Very low	27.7	Very low	174 Å²	174	148.9 Å²	148.9	81%	0.813	80%	0.796	S	S	*	*			trans	-58.2	148	168.2	-67.9	163	149.2	0	0	109.7
127	D	28.5	Very low	27.3	Very low	142 Å²	142	144 Å²	144	76%	0.759	79%	0.787	S	S	*	*			trans	70.7	92.1	166.6	-49.3	-28.9	0	0	0	116.7
128	D	33.2	Very low	27.1	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	79%	0.793	S	S	*	*				177.4	113	113.9	-84.1	-25.6	0	0	0	111.4
129	E	30.6	Very low	27.3	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	80%	0.796	S	S	*	*			trans	33.6	110.3	150.1	-58.7	-174.6	157.1	0	0	120.6
130	L	30.5	Very low	27.5	Very low	173 Å²	173	141.4 Å²	141.4	91%	0.906	79%	0.786	S	S	*	*			trans	-76.9	139.4	144.9	-76.3	167.5	0	0	0	108
131	P	32.7	Very low	27.6	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	80%	0.798	S	S	*	*				-155.9	156.8	91.5	36.2	-16.4	0	0	0	117
132	G	27	Very low	27.8	Very low	68 Å²	68	146.6 Å²	146.6	70%	0.701	80%	0.798	S	S	*	*				105.6	106.3	128.2	0	0	0	0	0	119.2
133	K	27.2	Very low	27.8	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	80%	0.802	S	S	*	*			trans	80.1	128.8	130.8	-76.7	-172.4	178.1	-175.7	0	121.5
134	D	27.1	Very low	28.1	Very low	128 Å²	128	146 Å²	146	68%	0.684	80%	0.799	S	S	*	*			trans	85.5	101	135.9	-57.8	-18.1	0	0	0	120.8
135	S	26.4	Very low	28.1	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	81%	0.805	S	S	*	*				78.9	142	112.6	-55.7	0	0	0	0	122.2
136	F	25.9	Very low	27.8	Very low	202 Å²	202	136.5 Å²	136.5	89%	0.886	79%	0.789	S	S	*	*			trans	79.6	140.6	163.7	-59.5	-78.2	0	0	0	116.2
137	S	26.5	Very low	27.8	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	79%	0.789	S	S	*	*			cis	179.9	150.7	-2.6	45.2	0	0	0	0	107.5
138	N	25.1	Very low	27.8	Very low	158 Å²	158	134.6 Å²	134.6	85%	0.845	80%	0.799	S	S	*	*			trans	40.3	111	149.1	-67.8	-9.4	0	0	0	119.7
139	V	28	Very low	27.4	Very low	147 Å²	147	132.8 Å²	132.8	89%	0.891	80%	0.799	S	S	*	*			trans	-140.1	123.8	134.8	-174.8	0	0	0	0	109.3
140	S	30.1	Very low	27.1	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	79%	0.79	S	S	*	*			trans	-57.9	141.2	177.2	-62.3	0	0	0	0	113.9	Q142	S140-Q142 PolarHBondContact O-N 3.14Å; S140-Q142 VanDerWaalsContact O-N 3.13Å
141	D	25.8	Very low	27	Very low	165 Å²	165	128.7 Å²	128.7	88%	0.882	79%	0.79	S	S	*	*			trans	-65.8	101.1	158.1	-73.8	-43.6	0	0	0	109.8
142	Q	29.7	Very low	26.8	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	80%	0.798	S	S	*	*			trans	-113.4	104.7	154.5	-79.6	-167.1	0.6	0	0	108.7	S140 A144	S140-Q142 PolarHBondContact O-N 3.14Å; S140-Q142 VanDerWaalsContact O-N 3.13Å; Q142-A144 VanDerWaalsContact C-N 3.3Å; Q142-A144 PolarHBondContact O-N 2.77Å
143	V	25.6	Very low	26.7	Very low	145 Å²	145	137.5 Å²	137.5	88%	0.879	81%	0.807	S	S	*	*			trans	-64.2	92.5	162.3	176.9	0	0	0	0	107.4
144	A	28.2	Very low	26.8	Very low	88 Å²	88	137.5 Å²	137.5	73%	0.727	81%	0.81	S	S	*	*			trans	-97.5	94.1	166.6	0	0	0	0	0	108.7	Q142 G146	Q142-A144 VanDerWaalsContact C-N 3.3Å; Q142-A144 PolarHBondContact O-N 2.77Å; A144-G146 VanDerWaalsContact C-N 3.34Å; A144-G146 PolarHBondContact O-N 3.4Å; A144-G146 VanDerWaalsContact O-N 3.08Å
145	A	25.4	Very low	26.9	Very low	108 Å²	108	140.3 Å²	140.3	89%	0.893	82%	0.816	S	S	*	*			trans	-64.5	98.2	154.9	0	0	0	0	0	107.4
146	G	24	Very low	27	Very low	59 Å²	59	141.8 Å²	141.8	61%	0.608	83%	0.826	S	S	*	*			trans	-150.4	107.8	-177.2	0	0	0	0	0	111.7	A144	A144-G146 VanDerWaalsContact C-N 3.34Å; A144-G146 PolarHBondContact O-N 3.4Å; A144-G146 VanDerWaalsContact O-N 3.08Å
147	S	26	Very low	27.2	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	83%	0.825	S	S	*	*			trans	66.2	79	148.7	-56.2	0	0	0	0	118.5	S149	S147-S149 VanDerWaalsContact C-N 3.31Å
148	V	29.8	Very low	27.6	Very low	160 Å²	160	141.7 Å²	141.7	97%	0.97	82%	0.818	S	S	*	*			trans	-100.5	62.1	140	-170.7	0	0	0	0	107.7
149	S	24.3	Very low	28	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	80%	0.8	S	S	*	*			trans	-122.1	82.8	166.3	-177.5	0	0	0	0	106.1	S147	S147-S149 VanDerWaalsContact C-N 3.31Å
150	G	24	Very low	28.1	Very low	65 Å²	65	139.8 Å²	139.8	67%	0.67	80%	0.8	S	S	*	*	S	Bend	trans	-176.6	101.2	-177.7	0	0	0	0	0	111.2
151	K	28.3	Very low	28.3	Very low	206 Å²	206	138.5 Å²	138.5	90%	0.896	78%	0.782	S	S	*	*			trans	82.6	55.6	168.4	-55.3	-176.2	176.9	-178.1	0	118
152	L	28.5	Very low	28.4	Very low	185 Å²	185	136.8 Å²	136.8	97%	0.969	78%	0.783	S	S	*	*			trans	-109.6	45.6	146.4	-122	117.7	0	0	0	109.8
153	E	24.2	Very low	28.2	Very low	190 Å²	190	133.5 Å²	133.5	89%	0.888	78%	0.779	S	S	*	*			trans	-115.5	75.9	163.7	-79	-164.6	151.8	0	0	108.1
154	E	30.7	Very low	28.5	Very low	192 Å²	192	130.4 Å²	130.4	90%	0.897	75%	0.754	S	S	*	*			trans	-132.3	90.2	153.7	-155.3	168.1	-160.6	0	0	106.8	S156	E154-S156 PolarHBondContact O-N 2.82Å
155	K	28.7	Very low	28.5	Very low	187 Å²	187	130.5 Å²	130.5	81%	0.813	75%	0.745	S	S	*	*			trans	-50.6	104.4	172.2	-73.3	178.6	175.3	176.8	0	109	K157	K155-K157 VanDerWaalsContact C-N 3.34Å; K155-K157 PolarHBondContact O-N 3.44Å
156	S	28.5	Very low	28.8	Very low	117 Å²	117	126.6 Å²	126.6	82%	0.818	71%	0.709	S	S	*	*			trans	26.3	65	132.7	66.2	0	0	0	0	115.3	E154	E154-S156 PolarHBondContact O-N 2.82Å
157	K	29.1	Very low	29.1	Very low	197 Å²	197	125 Å²	125	86%	0.857	69%	0.687	S	S	*	*			trans	-116.6	91.4	158.3	-79.6	-170.1	176.9	-176.1	0	107.1	K155	K155-K157 VanDerWaalsContact C-N 3.34Å; K155-K157 PolarHBondContact O-N 3.44Å
158	L	36	Very low	29.5	Very low	97 Å²	97	119.6 Å²	119.6	51%	0.508	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-51.2	130.4	167.6	-80.5	157.7	0	0	0	108.2	E160	L158-E160 PolarHBondContact O-N 2.98Å
159	P	34.4	Very low	29.5	Very low	73 Å²	73	113.7 Å²	113.7	47%	0.474	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-64.3	130.3	-179.5	11.6	-14.9	0	0	0	110.8	F161	P159-F161 HydrophobicContact CB-CD2 4.36Å; P159-F161 HydrophobicContact CB-CE1 4.2Å; P159-F161 HydrophobicContact CB-CE2 3.62Å; P159-F161 HydrophobicContact CB-CZ 3.52Å; P159-F161 HydrophobicContact CG-CE2 3.56Å; P159-F161 HydrophobicContact CG-CZ 3.54Å; P159-F161 VanDerWaalsContact O-CD2 3.26Å; P159-F161 WeakPolarHBondContact O-CD2 2.99Å; P159-F161 WeakPolarHBondContact O-CE2 3.32Å
160	E	30	Very low	29.9	Very low	192 Å²	192	109 Å²	109	90%	0.897	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-74	125.5	167.7	-86.1	-177.3	150.5	0	0	109.2	L158	L158-E160 PolarHBondContact O-N 2.98Å
161	F	34.3	Very low	30.3	Very low	76 Å²	76	108.4 Å²	108.4	33%	0.333	57%	0.566	S	S	.	*			trans	-119.7	122.8	176.4	-60.7	-78.3	0	0	0	109.8	Q94 F97 P159	Q94-F161 PolarHBondContact NE2-O 3.4Å; F97-F161 HydrophobicContact CE1-CE2 4.19Å; F97-F161 HydrophobicContact CE1-CZ 4.42Å; P159-F161 HydrophobicContact CB-CD2 4.36Å; P159-F161 HydrophobicContact CB-CE1 4.2Å; P159-F161 HydrophobicContact CB-CE2 3.62Å; P159-F161 HydrophobicContact CB-CZ 3.52Å; P159-F161 HydrophobicContact CG-CE2 3.56Å; P159-F161 HydrophobicContact CG-CZ 3.54Å; P159-F161 VanDerWaalsContact O-CD2 3.26Å; P159-F161 WeakPolarHBondContact O-CD2 2.99Å; P159-F161 WeakPolarHBondContact O-CE2 3.32Å
162	S	26.5	Very low	30.3	Very low	129 Å²	129	101.9 Å²	101.9	90%	0.902	55%	0.546	S	S	*	.	S	Bend	trans	-98.3	-3	-175.4	51.8	0	0	0	0	115
163	S	25.4	Very low	30.1	Very low	106 Å²	106	100 Å²	100	74%	0.741	54%	0.537	S	S	*	.			trans	178.7	147.2	165.8	48.4	0	0	0	0	108.9
164	F	32.3	Very low	30.1	Very low	79 Å²	79	102.8 Å²	102.8	35%	0.346	54%	0.539	S	S	.	.			trans	-143.4	146.7	169.5	62.4	-91.4	0	0	0	113	D93 F97 L166	D93-F164 HydrophobicContact CB-CZ 4.44Å; F97-F164 HydrophobicContact CB-CE1 3.95Å; F97-F164 HydrophobicContact CB-CE2 4.14Å; F97-F164 HydrophobicContact CB-CZ 3.56Å; F97-F164 HydrophobicContact CD2-CD2 4.15Å; F97-F164 AromaticContact CD2-CE2 3.91Å; F97-F164 HydrophobicContact CD2-CE2 3.91Å; F97-F164 HydrophobicContact CD2-CZ 4.12Å; F97-F164 HydrophobicContact CG-CE1 4.22Å; F97-F164 HydrophobicContact CG-CE2 4.3Å; F97-F164 HydrophobicContact CG-CZ 4.03Å; F164-L166 HydrophobicContact CD2-CD1 4.29Å; F164-L166 HydrophobicContact CD2-CG 4.12Å; F164-L166 HydrophobicContact CE2-CD1 3.72Å; F164-L166 HydrophobicContact CE2-CG 4.02Å
165	V	27.7	Very low	29.9	Very low	90 Å²	90	99.4 Å²	99.4	55%	0.545	53%	0.526	S	S	.	.			trans	-105.4	117.3	166.8	176.7	0	0	0	0	106.1	V167 Y339	V165-V167 HydrophobicContact CG1-CG2 4.42Å; V165-V167 PolarHBondContact O-N 3.31Å; V165-Y339 HydrophobicContact CB-CE1 4.41Å
166	L	32.1	Very low	29.7	Very low	27 Å²	27	99.8 Å²	99.8	14%	0.141	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-71.4	116.9	172.2	-91.3	147.3	0	0	0	108.9	F164 Y168 I222 F342	F164-L166 HydrophobicContact CD2-CD1 4.29Å; F164-L166 HydrophobicContact CD2-CG 4.12Å; F164-L166 HydrophobicContact CE2-CD1 3.72Å; F164-L166 HydrophobicContact CE2-CG 4.02Å; L166-Y168 HydrophobicContact CB-CE1 3.97Å; L166-Y168 HydrophobicContact CB-CE2 4.08Å; L166-Y168 WeakPolarHBondContact CB-OH 3.42Å; L166-Y168 HydrophobicContact CD2-CE1 3.89Å; L166-Y168 HydrophobicContact CG-CE1 4.44Å; L166-I222 HydrophobicContact CD1-CD1 4.25Å; L166-F342 HydrophobicContact CD2-CD2 3.6Å; L166-F342 HydrophobicContact CD2-CE1 4.49Å; L166-F342 HydrophobicContact CD2-CE2 3.44Å; L166-F342 VanDerWaalsContact CD2-CE2 3.44Å; L166-F342 HydrophobicContact CD2-CG 4.26Å; L166-F342 HydrophobicContact CD2-CZ 3.96Å
167	V	29.4	Very low	29.7	Very low	24 Å²	24	102.4 Å²	102.4	15%	0.145	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119	177.8	-175	0	0	0	0	107.8	V165 R217 Y339 P341 F342	V165-V167 HydrophobicContact CG1-CG2 4.42Å; V165-V167 PolarHBondContact O-N 3.31Å; V167-R217 HydrophobicContact CG1-CB 3.98Å; V167-R217 HydrophobicContact CG1-CG 4.35Å; V167-Y339 HydrophobicContact CG2-CD1 3.99Å; V167-P341 WeakPolarHBondContact O-CA 3.4Å; V167-F342 PolarHBondContact O-N 2.94Å
168	Y	36	Very low	29.5	Very low	4 Å²	4	98.4 Å²	98.4	2%	0.016	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.9	-175.2	-54.4	-68.3	0	0	0	111.2	L166 R217 F218 G220 I222 V233 F342 I344	L166-Y168 HydrophobicContact CB-CE1 3.97Å; L166-Y168 HydrophobicContact CB-CE2 4.08Å; L166-Y168 WeakPolarHBondContact CB-OH 3.42Å; L166-Y168 HydrophobicContact CD2-CE1 3.89Å; L166-Y168 HydrophobicContact CG-CE1 4.44Å; Y168-R217 CarbonylContact O-C 3.55Å; Y168-R217 WeakPolarHBondContact O-CA 3.32Å; Y168-R217 VanDerWaalsContact O-CB 3.25Å; Y168-R217 WeakPolarHBondContact O-CB 3.49Å; Y168-F218 HydrophobicContact CD2-CE1 4.35Å; Y168-F218 HydrophobicContact CD2-CE2 4.26Å; Y168-F218 HydrophobicContact CD2-CZ 4.02Å; Y168-F218 HydrophobicContact CG-CE1 4.37Å; Y168-F218 HydrophobicContact CG-CZ 4.4Å; Y168-F218 PolarHBondContact N-O 3.22Å; Y168-F218 PolarHBondContact O-N 3.13Å; Y168-G220 WeakPolarHBondContact CE2-O 3.49Å; Y168-I222 VanDerWaalsContact OH-CG1 3.29Å; Y168-I222 WeakPolarHBondContact OH-CG1 3.29Å; Y168-V233 HydrophobicContact CD2-CG1 4.31Å; Y168-V233 HydrophobicContact CE2-CG1 3.96Å; Y168-F342 HydrophobicContact CD1-CB 4.32Å; Y168-I344 HydrophobicContact CD1-CD1 3.1Å; Y168-I344 HydrophobicContact CD1-CG1 3.98Å; Y168-I344 HydrophobicContact CE1-CD1 3.47Å; Y168-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y168-I344 HydrophobicContact CG-CD1 3.75Å
169	S	30.2	Very low	29	Very low	35 Å²	35	102.3 Å²	102.3	25%	0.245	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121	170.8	-179.9	0	0	0	0	109	F342 K343 I344	S169-F342 PolarHBondContact N-O 2.86Å; S169-K343 WeakPolarHBondContact O-CA 3.24Å; S169-I344 PolarHBondContact O-N 3.12Å
170	L	30.7	Very low	28.6	Very low	18 Å²	18	106.8 Å²	106.8	9%	0.094	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	123.4	173.3	-73.3	164.5	0	0	0	108.8	V207 I210 L212 F218 I346	L170-V207 HydrophobicContact CD1-CG1 3.78Å; L170-V207 HydrophobicContact CD2-CG1 4.35Å; L170-I210 HydrophobicContact CD1-CD1 4.11Å; L170-L212 HydrophobicContact CD1-CD2 4.08Å; L170-F218 HydrophobicContact CD1-CD1 3.46Å; L170-F218 VanDerWaalsContact CD1-CD1 3.46Å; L170-F218 HydrophobicContact CD1-CE1 3.44Å; L170-F218 VanDerWaalsContact CD1-CE1 3.44Å; L170-F218 HydrophobicContact CD1-CZ 4.46Å; L170-F218 HydrophobicContact CD2-CE1 4.19Å; L170-F218 HydrophobicContact CG-CD1 3.92Å; L170-F218 HydrophobicContact CG-CE1 3.66Å; L170-I346 HydrophobicContact CD2-CD1 3.31Å; L170-I346 HydrophobicContact CD2-CG1 3.86Å
171	S	32.4	Very low	28.4	Very low	52 Å²	52	109.6 Å²	109.6	36%	0.364	57%	0.565	S	S	.	*			trans	-94.7	86.4	161.7	62.7	0	0	0	0	109.3	K343	S171-K343 WeakPolarHBondContact OG-CE 3.48Å; S171-K343 PolarHBondContact OG-NZ 3.35Å
172	C	28.8	Very low	28	Very low	69 Å²	69	110.2 Å²	110.2	47%	0.466	58%	0.584	S	S	.	*			trans	-82.7	114.5	164.8	-62.1	0	0	0	0	107.4	R174 V207	C172-R174 PolarHBondContact O-N 3.02Å; C172-V207 VanDerWaalsContact SG-CG1 3.52Å
173	N	25.6	Very low	28	Very low	146 Å²	146	113 Å²	113	78%	0.781	58%	0.583	S	S	*	*			trans	-60.2	121.5	161.7	-72.4	-21.7	0	0	0	106.7	I175	N173-I175 PolarHBondContact O-N 3.47Å
174	R	23.8	Very low	28	Very low	249 Å²	249	116.3 Å²	116.3	94%	0.94	59%	0.592	S	S	*	*			trans	-58	109.2	171	-110	-177.7	176.3	-179.7	-1.6	107.1	C172	C172-R174 PolarHBondContact O-N 3.02Å
175	I	25.9	Very low	27.7	Very low	120 Å²	120	116.9 Å²	116.9	62%	0.615	61%	0.605	S	S	*	*			trans	-88.9	113	162.7	-60.9	175.1	0	0	0	104.5	N173 E177	N173-I175 PolarHBondContact O-N 3.47Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 HydrophobicContact CG2-CB 4.43Å; I175-E177 HydrophobicContact CG2-CG 3.93Å; I175-E177 PolarHBondContact O-N 3.12Å
176	E	24.9	Very low	27.5	Very low	196 Å²	196	119.1 Å²	119.1	92%	0.916	61%	0.614	S	S	*	*			trans	-65.8	95.7	165.1	-75.1	-178.2	160.6	0	0	107.7
177	E	27.6	Very low	27.2	Very low	171 Å²	171	127.3 Å²	127.3	80%	0.799	65%	0.652	S	S	*	*			trans	-128.6	112.2	162.2	-84.5	178.8	179.8	0	0	108.8	I175	I175-E177 VanDerWaalsContact C-N 3.32Å; I175-E177 HydrophobicContact CG2-CB 4.43Å; I175-E177 HydrophobicContact CG2-CG 3.93Å; I175-E177 PolarHBondContact O-N 3.12Å
178	S	26.2	Very low	27	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	68%	0.684	S	S	*	*			trans	-55.7	128.6	166	55.2	0	0	0	0	110.1
179	E	25.8	Very low	26.4	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	71%	0.714	S	S	*	*			trans	-166.5	133.8	139.2	-108	168.5	-159.8	0	0	110.8	W181	E179-W181 PolarHBondContact O-N 3.36Å
180	N	25	Very low	26.1	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	75%	0.75	S	S	*	*			trans	-54.5	109.4	-175.1	-83.8	-37	0	0	0	112.6	A182	N180-A182 PolarHBondContact O-N 3.25Å
181	W	25.8	Very low	25.9	Very low	250 Å²	250	147 Å²	147	95%	0.947	78%	0.775	S	S	*	*			trans	-89	93.9	157.4	-70.9	92.4	0	0	0	108.4	E179 E183	E179-W181 PolarHBondContact O-N 3.36Å; W181-E183 PolarHBondContact O-N 3.47Å
182	A	25	Very low	25.5	Very low	90 Å²	90	155.3 Å²	155.3	74%	0.744	80%	0.799	S	S	*	*			trans	-59.8	134	167.8	0	0	0	0	0	109.8	N180	N180-A182 PolarHBondContact O-N 3.25Å
183	E	26.7	Very low	25.5	Very low	188 Å²	188	159.4 Å²	159.4	88%	0.879	81%	0.813	S	S	*	*			trans	-43.9	136.5	173.4	-61.4	168.8	141.7	0	0	112.4	W181	W181-E183 PolarHBondContact O-N 3.47Å
184	L	27.1	Very low	25.7	Very low	175 Å²	175	156.7 Å²	156.7	92%	0.916	80%	0.804	S	S	*	*			trans	-145.2	109.2	152.8	-109.3	150	0	0	0	110.3
185	S	25.3	Very low	26	Very low	90 Å²	90	148.8 Å²	148.8	63%	0.629	79%	0.792	S	S	*	*			trans	-80	161.9	177.8	57.8	0	0	0	0	112.3
186	N	24.3	Very low	26.8	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	78%	0.784	S	S	*	*	S	Bend	trans	57	111.4	147.7	-61.5	-11.9	0	0	0	119.7	L188	N186-L188 PolarHBondContact O-N 3.44Å
187	E	25.4	Very low	27.9	Very low	199 Å²	199	139.4 Å²	139.4	93%	0.93	76%	0.755	S	S	*	*			trans	24.2	89.1	139.9	-60.8	-170.1	163.6	0	0	117.1
188	L	24.2	Very low	29.1	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	75%	0.753	S	S	*	*			trans	-135.1	146	161	-89.6	160.5	0	0	0	110.2	N186	N186-L188 PolarHBondContact O-N 3.44Å
189	P	23.6	Very low	30.7	Very low	97 Å²	97	141.3 Å²	141.3	63%	0.63	75%	0.748	S	S	*	*			trans	-66.6	151	-164.8	29.5	-34.7	0	0	0	111	S191	P189-S191 VanDerWaalsContact C-N 3.33Å; P189-S191 WeakPolarHBondContact O-CB 3.13Å; P189-S191 PolarHBondContact O-N 3.16Å
190	C	25	Very low	32.5	Very low	148 Å²	148	134.3 Å²	134.3	100%	1	71%	0.714	S	S	*	*	S	Bend	trans	-44.7	91.8	173.8	-68.2	0	0	0	0	111.2
191	S	24.6	Very low	34.2	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	69%	0.685	S	S	*	*			trans	-133.1	137.6	-177	84.7	0	0	0	0	111.2	P189	P189-S191 VanDerWaalsContact C-N 3.33Å; P189-S191 WeakPolarHBondContact O-CB 3.13Å; P189-S191 PolarHBondContact O-N 3.16Å
192	R	25.3	Very low	36.1	Very low	228 Å²	228	120 Å²	120	86%	0.86	67%	0.665	S	S	*	*	S	Bend	trans	67.9	115.6	175.8	-62.6	-176.5	176.1	-179.2	-0.6	114.9	C194	R192-C194 PolarHBondContact O-N 3.29Å
193	M	28.5	Very low	37.8	Very low	154 Å²	154	118.4 Å²	118.4	76%	0.759	64%	0.642	S	S	*	*			trans	-48.6	105.3	164.3	-72	-176	77.1	0	0	108.2
194	C	30.2	Very low	39.5	Very low	89 Å²	89	116 Å²	116	60%	0.601	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-55.6	146.2	170	-61.7	0	0	0	0	108.5	R192 V320	R192-C194 PolarHBondContact O-N 3.29Å; C194-V320 HydrophobicContact CB-CG2 4.19Å
195	A	29.7	Very low	41.2	Very low	83 Å²	83	110 Å²	110	69%	0.686	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-49.6	144.2	176	0	0	0	0	0	110.5	V197	A195-V197 PolarHBondContact O-N 3.1Å
196	P	41.5	Very low	43	Very low	69 Å²	69	105.8 Å²	105.8	45%	0.448	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-55.1	127.1	-179	20.4	-30.5	0	0	0	110.3	K198 K317	P196-K198 PolarHBondContact O-N 3.3Å; P196-K198 VanDerWaalsContact O-N 3.16Å; P196-K317 HydrophobicContact CB-CG 4.23Å
197	V	49	Very low	45	Very low	50 Å²	50	99.7 Å²	99.7	30%	0.303	54%	0.539	S	S	.	.			trans	-66	114.4	177.4	176.4	0	0	0	0	107.7	A195 H199 C319	A195-V197 PolarHBondContact O-N 3.1Å; V197-H199 VanDerWaalsContact C-N 3.33Å; V197-H199 VanDerWaalsContact CG1-C 3.5Å; V197-H199 WeakPolarHBondContact CG1-O 2.86Å; V197-C319 WeakPolarHBondContact CB-O 3.22Å; V197-C319 WeakPolarHBondContact CG2-O 3.48Å
198	K	52.7	Low	46.9	Very low	177 Å²	177	96.6 Å²	96.6	77%	0.77	53%	0.529	S	S	*	.	S	Bend	trans	-69.4	-35.3	178	-70.2	-174.5	177.9	-178.7	0	111.6	P196	P196-K198 PolarHBondContact O-N 3.3Å; P196-K198 VanDerWaalsContact O-N 3.16Å
199	H	60.5	Low	49	Very low	147 Å²	147	93.7 Å²	93.7	68%	0.681	51%	0.511	S	S	*	.	S	Bend	trans	-144.1	135.9	-178.1	-59.2	-62.1	0	0	0	110.2	V197	V197-H199 VanDerWaalsContact C-N 3.33Å; V197-H199 VanDerWaalsContact CG1-C 3.5Å; V197-H199 WeakPolarHBondContact CG1-O 2.86Å
200	Y	62.8	Low	51.3	Low	33 Å²	33	89.7 Å²	89.7	13%	0.129	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-66.4	153.5	171.8	-68.9	-71.7	0	0	0	110.9	A269 C270 C285 V301 C319 A321	Y200-A269 HydrophobicContact CD2-CB 4.03Å; Y200-A269 HydrophobicContact CE2-CB 3.51Å; Y200-C270 PolarHBondContact OH-O 2.73Å; Y200-C285 VanDerWaalsContact CD2-SG 3.57Å; Y200-V301 HydrophobicContact CD1-CG2 4.33Å; Y200-V301 HydrophobicContact CD2-CB 4.44Å; Y200-V301 HydrophobicContact CD2-CG1 3.76Å; Y200-V301 HydrophobicContact CD2-CG2 4.35Å; Y200-V301 HydrophobicContact CE1-CG2 3.98Å; Y200-V301 HydrophobicContact CE2-CB 4.43Å; Y200-V301 HydrophobicContact CE2-CG1 3.77Å; Y200-V301 HydrophobicContact CE2-CG2 3.97Å; Y200-V301 HydrophobicContact CG-CG1 4.39Å; Y200-C319 HydrophobicContact CE1-CB 4.41Å; Y200-C319 WeakPolarHBondContact OH-CB 3.25Å; Y200-A321 HydrophobicContact CD1-CB 3.94Å
201	P	61.7	Low	53.5	Low	43 Å²	43	90.9 Å²	90.9	28%	0.279	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-55.6	143.6	174.7	-17.8	27.4	0	0	0	110.7	L206 A321 P323	P201-L206 HydrophobicContact CB-CD2 3.73Å; P201-L206 HydrophobicContact CB-CG 4.31Å; P201-L206 HydrophobicContact CG-CD2 4.04Å; P201-A321 VanDerWaalsContact CD-CB 3.42Å; P201-A321 HydrophobicContact CG-CB 3.79Å; P201-P323 HydrophobicContact CG-CG 4.31Å
202	S	64	Low	55.9	Low	75 Å²	75	90.8 Å²	90.8	52%	0.524	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-62.8	152.7	175.1	66.2	0	0	0	0	111	K204 S205 L206	S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 3.35Å; S202-S205 WeakPolarHBondContact O-CA 3.5Å; S202-S205 VanDerWaalsContact O-CB 3.32Å; S202-S205 WeakPolarHBondContact O-CB 3.41Å; S202-S205 PolarHBondContact O-N 2.93Å; S202-S205 PolarHBondContact OG-N 2.85Å; S202-L206 PolarHBondContact O-N 3.21Å
203	Q	62.5	Low	58.1	Low	56 Å²	56	83.4 Å²	83.4	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-47.6	-51	176.9	-71.1	-62.4	-26.3	0	0	111.5	S205 L206 V207 S324 A326 I346	Q203-S205 VanDerWaalsContact C-N 3.31Å; Q203-S205 PolarHBondContact O-N 3.43Å; Q203-L206 WeakPolarHBondContact O-CB 3.17Å; Q203-L206 PolarHBondContact O-N 3.06Å; Q203-V207 WeakPolarHBondContact O-CG2 3.31Å; Q203-V207 PolarHBondContact O-N 3.32Å; Q203-S324 PolarHBondContact NE2-O 3.35Å; Q203-A326 HydrophobicContact CG-CB 4.44Å; Q203-I346 HydrophobicContact CB-CG2 4.09Å
204	K	60.8	Low	60.3	Low	137 Å²	137	81.9 Å²	81.9	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-52.9	-41.9	175.4	-66.9	-177	-179.3	177.9	0	113.9	S202 L206 V207 N208	S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 3.35Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.33Å; K204-V207 PolarHBondContact O-N 2.82Å; K204-N208 PolarHBondContact O-N 2.77Å
205	S	63.3	Low	62.3	Low	49 Å²	49	82.6 Å²	82.6	34%	0.343	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-35.6	178.6	-177.8	0	0	0	0	112.1	S202 Q203 N208	S202-S205 WeakPolarHBondContact O-CA 3.5Å; S202-S205 VanDerWaalsContact O-CB 3.32Å; S202-S205 WeakPolarHBondContact O-CB 3.41Å; S202-S205 PolarHBondContact O-N 2.93Å; S202-S205 PolarHBondContact OG-N 2.85Å; Q203-S205 VanDerWaalsContact C-N 3.31Å; Q203-S205 PolarHBondContact O-N 3.43Å; S205-N208 PolarHBondContact O-N 3.46Å
206	L	63.7	Low	64.2	Low	1 Å²	1	79.9 Å²	79.9	1%	0.005	42%	0.424	C	S	.	.	H	α-helix	trans	-69.5	-37.5	177.8	-57.5	177.8	0	0	0	112.5	P201 S202 Q203 K204 N208 Q209 W238 P323 V325	P201-L206 HydrophobicContact CB-CD2 3.73Å; P201-L206 HydrophobicContact CB-CG 4.31Å; P201-L206 HydrophobicContact CG-CD2 4.04Å; S202-L206 PolarHBondContact O-N 3.21Å; Q203-L206 WeakPolarHBondContact O-CB 3.17Å; Q203-L206 PolarHBondContact O-N 3.06Å; K204-L206 VanDerWaalsContact C-N 3.3Å; K204-L206 PolarHBondContact O-N 3.33Å; L206-N208 PolarHBondContact O-N 3.46Å; L206-Q209 WeakPolarHBondContact O-CB 3.4Å; L206-Q209 PolarHBondContact O-N 3.12Å; L206-W238 HydrophobicContact CB-CH2 4.32Å; L206-P323 HydrophobicContact CD1-CB 3.47Å; L206-P323 VanDerWaalsContact CD1-CB 3.47Å; L206-P323 HydrophobicContact CD1-CG 3.44Å; L206-P323 VanDerWaalsContact CD1-CG 3.44Å; L206-P323 HydrophobicContact CD2-CG 3.66Å; L206-P323 HydrophobicContact CG-CG 4.09Å; L206-V325 HydrophobicContact CB-CG2 3.76Å; L206-V325 HydrophobicContact CD1-CG2 4.28Å
207	V	65.3	Low	65.4	Low	10 Å²	10	79.6 Å²	79.6	6%	0.061	41%	0.414	C	S	.	.	H	α-helix	trans	-57.8	-42.6	176.5	-166.1	0	0	0	0	111.1	L170 C172 Q203 K204 Q209 I210 V325 I346	L170-V207 HydrophobicContact CD1-CG1 3.78Å; L170-V207 HydrophobicContact CD2-CG1 4.35Å; C172-V207 VanDerWaalsContact SG-CG1 3.52Å; Q203-V207 WeakPolarHBondContact O-CG2 3.31Å; Q203-V207 PolarHBondContact O-N 3.32Å; K204-V207 PolarHBondContact O-N 2.82Å; V207-Q209 PolarHBondContact O-N 3.11Å; V207-Q209 VanDerWaalsContact O-N 3.12Å; V207-I210 HydrophobicContact CG1-CD1 4.49Å; V207-I210 WeakPolarHBondContact O-CB 3.32Å; V207-I210 PolarHBondContact O-N 3.21Å; V207-V325 HydrophobicContact CG2-CG1 4.39Å; V207-I346 HydrophobicContact CB-CD1 4.01Å; V207-I346 HydrophobicContact CG1-CD1 3.59Å; V207-I346 HydrophobicContact CG2-CB 4.41Å; V207-I346 HydrophobicContact CG2-CD1 3.19Å; V207-I346 HydrophobicContact CG2-CG1 4.35Å; V207-I346 HydrophobicContact CG2-CG2 3.94Å
208	N	66.8	Low	66.2	Low	134 Å²	134	77.9 Å²	77.9	72%	0.717	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.5	180	-65.7	-15	0	0	0	112.7	K204 S205 L206	K204-N208 PolarHBondContact O-N 2.77Å; S205-N208 PolarHBondContact O-N 3.46Å; L206-N208 PolarHBondContact O-N 3.46Å
209	Q	68.1	Low	67	Low	97 Å²	97	72.6 Å²	72.6	45%	0.453	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.1	175.1	-58	175.3	29.8	0	0	113	L206 V207 K211 Q237 W238	L206-Q209 WeakPolarHBondContact O-CB 3.4Å; L206-Q209 PolarHBondContact O-N 3.12Å; V207-Q209 PolarHBondContact O-N 3.11Å; V207-Q209 VanDerWaalsContact O-N 3.12Å; Q209-K211 PolarHBondContact O-N 2.99Å; Q209-Q237 PolarHBondContact O-NE2 3.24Å; Q209-W238 HydrophobicContact CB-CZ2 4.49Å
210	I	70.7	Confident	67.3	Low	13 Å²	13	66.4 Å²	66.4	7%	0.067	37%	0.369	C	S	.	.	S	Bend	trans	-74.2	122.3	178.4	-60.3	176.4	0	0	0	108.8	L170 V207 L212 F218 W238	L170-I210 HydrophobicContact CD1-CD1 4.11Å; V207-I210 HydrophobicContact CG1-CD1 4.49Å; V207-I210 WeakPolarHBondContact O-CB 3.32Å; V207-I210 PolarHBondContact O-N 3.21Å; I210-L212 HydrophobicContact CG2-CD2 4.2Å; I210-L212 PolarHBondContact O-N 3.34Å; I210-F218 HydrophobicContact CD1-CD2 4.45Å; I210-F218 HydrophobicContact CD1-CE1 4.46Å; I210-F218 HydrophobicContact CD1-CE2 4.24Å; I210-F218 HydrophobicContact CD1-CZ 4.25Å; I210-F218 HydrophobicContact CG2-CB 3.43Å; I210-F218 VanDerWaalsContact CG2-CB 3.43Å; I210-F218 HydrophobicContact CG2-CD1 4.13Å; I210-F218 HydrophobicContact CG2-CD2 3.73Å; I210-F218 HydrophobicContact CG2-CG 3.5Å; I210-F218 VanDerWaalsContact CG2-CG 3.5Å; I210-W238 HydrophobicContact CD1-CH2 3.71Å; I210-W238 HydrophobicContact CD1-CZ2 4.46Å; I210-W238 HydrophobicContact CD1-CZ3 4.37Å; I210-W238 HydrophobicContact CG1-CH2 3.38Å; I210-W238 HydrophobicContact CG1-CZ2 3.64Å; I210-W238 HydrophobicContact CG1-CZ3 4.33Å
211	K	71.1	Confident	67.5	Low	173 Å²	173	71.2 Å²	71.2	75%	0.752	39%	0.386	S	S	*	.			trans	-69.9	114.7	170.5	-71.9	-175.1	178.9	-178	0	109.7	Q209	Q209-K211 PolarHBondContact O-N 2.99Å
212	L	75.7	Confident	67.8	Low	89 Å²	89	70.6 Å²	70.6	47%	0.466	38%	0.381	S	S	.	.			trans	-87.2	147.9	174.7	-55.3	179.2	0	0	0	110.8	L170 I210 R217 F218	L170-L212 HydrophobicContact CD1-CD2 4.08Å; I210-L212 HydrophobicContact CG2-CD2 4.2Å; I210-L212 PolarHBondContact O-N 3.34Å; L212-R217 CarbonylContact C-O 3.22Å; L212-R217 WeakPolarHBondContact CA-O 3.43Å; L212-F218 HydrophobicContact CD2-CB 4.22Å
213	D	72.4	Confident	68	Low	73 Å²	73	68.2 Å²	68.2	39%	0.39	36%	0.363	S	S	.	.			trans	-75.5	178.9	167.5	76	6.7	0	0	0	111.5	N215 G216 R217	D213-N215 PolarHBondContact O-N 3.26Å; D213-N215 VanDerWaalsContact OD1-CA 3.31Å; D213-N215 WeakPolarHBondContact OD1-CA 2.98Å; D213-N215 WeakPolarHBondContact OD1-CB 3.12Å; D213-N215 PolarHBondContact OD1-N 3.24Å; D213-G216 PolarHBondContact O-N 3.31Å; D213-G216 PolarHBondContact OD1-N 2.79Å; D213-R217 PolarHBondContact N-O 3.15Å; D213-R217 WeakPolarHBondContact OD1-CA 3.37Å; D213-R217 WeakPolarHBondContact OD1-CB 3.4Å; D213-R217 PolarHBondContact OD1-N 3.24Å
214	S	74.7	Confident	68.2	Low	121 Å²	121	67.7 Å²	67.7	85%	0.846	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.6	179.9	57.1	0	0	0	0	114.4
215	N	71	Confident	68.5	Low	105 Å²	105	62.9 Å²	62.9	56%	0.561	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	10.5	178.3	-58.4	-50.8	0	0	0	112.4	D213 R217	D213-N215 PolarHBondContact O-N 3.26Å; D213-N215 VanDerWaalsContact OD1-CA 3.31Å; D213-N215 WeakPolarHBondContact OD1-CA 2.98Å; D213-N215 WeakPolarHBondContact OD1-CB 3.12Å; D213-N215 PolarHBondContact OD1-N 3.24Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 HydrophobicContact CB-CG 4.09Å; N215-R217 PolarHBondContact O-N 2.79Å
216	G	69.9	Low	68.3	Low	25 Å²	25	61.9 Å²	61.9	26%	0.258	33%	0.333	S	S	.	.	S	Bend	trans	70.5	25.7	-176.7	0	0	0	0	0	113.4	D213	D213-G216 PolarHBondContact O-N 3.31Å; D213-G216 PolarHBondContact OD1-N 2.79Å
217	R	65.8	Low	67.9	Low	63 Å²	63	64.4 Å²	64.4	24%	0.238	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	158.8	-178.2	-54.4	174.2	-177.2	-176.9	-0.7	111.1	V167 Y168 L212 D213 N215	V167-R217 HydrophobicContact CG1-CB 3.98Å; V167-R217 HydrophobicContact CG1-CG 4.35Å; Y168-R217 CarbonylContact O-C 3.55Å; Y168-R217 WeakPolarHBondContact O-CA 3.32Å; Y168-R217 VanDerWaalsContact O-CB 3.25Å; Y168-R217 WeakPolarHBondContact O-CB 3.49Å; L212-R217 CarbonylContact C-O 3.22Å; L212-R217 WeakPolarHBondContact CA-O 3.43Å; D213-R217 PolarHBondContact N-O 3.15Å; D213-R217 WeakPolarHBondContact OD1-CA 3.37Å; D213-R217 WeakPolarHBondContact OD1-CB 3.4Å; D213-R217 PolarHBondContact OD1-N 3.24Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 HydrophobicContact CB-CG 4.09Å; N215-R217 PolarHBondContact O-N 2.79Å
218	F	67.1	Low	67.3	Low	14 Å²	14	64.3 Å²	64.3	6%	0.061	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153	169.9	79.4	-76.9	0	0	0	111.3	Y168 L170 I210 L212 V233	Y168-F218 HydrophobicContact CD2-CE1 4.35Å; Y168-F218 HydrophobicContact CD2-CE2 4.26Å; Y168-F218 HydrophobicContact CD2-CZ 4.02Å; Y168-F218 HydrophobicContact CG-CE1 4.37Å; Y168-F218 HydrophobicContact CG-CZ 4.4Å; Y168-F218 PolarHBondContact N-O 3.22Å; Y168-F218 PolarHBondContact O-N 3.13Å; L170-F218 HydrophobicContact CD1-CD1 3.46Å; L170-F218 VanDerWaalsContact CD1-CD1 3.46Å; L170-F218 HydrophobicContact CD1-CE1 3.44Å; L170-F218 VanDerWaalsContact CD1-CE1 3.44Å; L170-F218 HydrophobicContact CD1-CZ 4.46Å; L170-F218 HydrophobicContact CD2-CE1 4.19Å; L170-F218 HydrophobicContact CG-CD1 3.92Å; L170-F218 HydrophobicContact CG-CE1 3.66Å; I210-F218 HydrophobicContact CD1-CD2 4.45Å; I210-F218 HydrophobicContact CD1-CE1 4.46Å; I210-F218 HydrophobicContact CD1-CE2 4.24Å; I210-F218 HydrophobicContact CD1-CZ 4.25Å; I210-F218 HydrophobicContact CG2-CB 3.43Å; I210-F218 VanDerWaalsContact CG2-CB 3.43Å; I210-F218 HydrophobicContact CG2-CD1 4.13Å; I210-F218 HydrophobicContact CG2-CD2 3.73Å; I210-F218 HydrophobicContact CG2-CG 3.5Å; I210-F218 VanDerWaalsContact CG2-CG 3.5Å; L212-F218 HydrophobicContact CD2-CB 4.22Å; F218-V233 HydrophobicContact CE2-CG1 3.87Å; F218-V233 HydrophobicContact CZ-CG1 3.95Å
219	A	68.2	Low	66.7	Low	66 Å²	66	64 Å²	64	55%	0.545	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.9	169.8	0	0	0	0	0	109.1
220	G	67.9	Low	66.2	Low	18 Å²	18	61.4 Å²	61.4	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.1	176.9	0	0	0	0	0	111.8	Y168 T234	Y168-G220 WeakPolarHBondContact CE2-O 3.49Å; G220-T234 CarbonylContact C-O 3.58Å; G220-T234 VanDerWaalsContact CA-O 3.29Å; G220-T234 WeakPolarHBondContact CA-O 3.38Å
221	R	66.1	Low	65.9	Low	133 Å²	133	61.1 Å²	61.1	50%	0.502	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.2	168.3	-175.5	175.7	68.9	112	5.1	108.6	C223 V233 T234 E239	R221-C223 PolarHBondContact O-N 2.98Å; R221-C223 VanDerWaalsContact O-N 3.07Å; R221-V233 CarbonylContact O-C 3.59Å; R221-V233 WeakPolarHBondContact O-CA 3.49Å; R221-T234 HydrophobicContact CB-CG2 4.16Å; R221-T234 PolarHBondContact N-O 3.36Å; R221-T234 PolarHBondContact O-N 3.39Å; R221-E239 IonicContact CZ-OE1 2.77Å; R221-E239 IonicContact NE-OE1 3.73Å; R221-E239 PolarHBondContact NE-OE1 3.29Å; R221-E239 IonicContact NH2-OE1 4Å
222	I	68.7	Low	65.8	Low	31 Å²	31	54.3 Å²	54.3	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	108.4	168.3	-58.3	178.3	0	0	0	106.5	L96 L166 Y168 H224 F225 Y232	L96-I222 HydrophobicContact CD2-CD1 4.05Å; L166-I222 HydrophobicContact CD1-CD1 4.25Å; Y168-I222 VanDerWaalsContact OH-CG1 3.29Å; Y168-I222 WeakPolarHBondContact OH-CG1 3.29Å; I222-H224 WeakPolarHBondContact CG2-O 3.32Å; I222-F225 HydrophobicContact CG2-CB 4.04Å; I222-F225 HydrophobicContact CG2-CD2 4.41Å; I222-Y232 CarbonylContact C-O 3.47Å; I222-Y232 WeakPolarHBondContact CA-O 3.28Å
223	C	67.8	Low	65.5	Low	24 Å²	24	50.2 Å²	50.2	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-29.7	-179.9	52.3	0	0	0	0	111.8	R221 Y232 T234 H303	R221-C223 PolarHBondContact O-N 2.98Å; R221-C223 VanDerWaalsContact O-N 3.07Å; C223-Y232 PolarHBondContact N-O 3.3Å; C223-Y232 VanDerWaalsContact SG-C 3.57Å; C223-Y232 PolarHBondContact SG-O 3.39Å; C223-Y232 VanDerWaalsContact SG-O 3.34Å; C223-T234 HydrophobicContact CB-CG2 3.85Å; C223-H303 PolarHBondContact SG-O 3.22Å; C223-H303 VanDerWaalsContact SG-O 3.4Å
224	H	68	Low	65.4	Low	46 Å²	46	47 Å²	47	21%	0.213	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.8	167	-178.4	56.8	0	0	0	109.2	I222 S226 F231 Y232 H303 G304	I222-H224 WeakPolarHBondContact CG2-O 3.32Å; H224-S226 PolarHBondContact CD2-OG 2.81Å; H224-S226 PolarHBondContact NE2-OG 2.95Å; H224-F231 CarbonylContact O-C 3.5Å; H224-Y232 HydrophobicContact CB-CD2 4.16Å; H224-Y232 AromaticContact CD2-CD2 3.81Å; H224-Y232 PolarHBondContact N-O 3.07Å; H224-Y232 PolarHBondContact O-N 2.9Å; H224-H303 WeakPolarHBondContact CB-O 3.44Å; H224-G304 PolarHBondContact CD2-O 3.33Å
225	F	66	Low	65.3	Low	35 Å²	35	41.4 Å²	41.4	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.6	170.2	-167.9	-120.2	0	0	0	104.1	W21 L96 Y99 L100 I222 T227 P228 F231	W21-F225 HydrophobicContact CE3-CD1 4.32Å; W21-F225 HydrophobicContact CE3-CE1 4.26Å; W21-F225 HydrophobicContact CH2-CB 3.83Å; W21-F225 AromaticContact CH2-CD1 3.3Å; W21-F225 HydrophobicContact CH2-CD1 3.3Å; W21-F225 HydrophobicContact CH2-CE1 4.03Å; W21-F225 AromaticContact CH2-CG 3.79Å; W21-F225 HydrophobicContact CH2-CG 3.79Å; W21-F225 WeakPolarHBondContact CH2-O 3.32Å; W21-F225 WeakPolarHBondContact CZ2-O 3.24Å; W21-F225 HydrophobicContact CZ3-CB 4.43Å; W21-F225 AromaticContact CZ3-CD1 3.1Å; W21-F225 HydrophobicContact CZ3-CD1 3.1Å; W21-F225 AromaticContact CZ3-CE1 3.31Å; W21-F225 HydrophobicContact CZ3-CE1 3.31Å; W21-F225 AromaticContact CZ3-CG 3.89Å; W21-F225 HydrophobicContact CZ3-CG 3.89Å; W21-F225 HydrophobicContact CZ3-CZ 4.25Å; L96-F225 HydrophobicContact CD1-CD1 3.57Å; L96-F225 HydrophobicContact CD1-CD2 3.99Å; L96-F225 HydrophobicContact CD1-CE1 3.17Å; L96-F225 HydrophobicContact CD1-CE2 3.65Å; L96-F225 HydrophobicContact CD1-CG 4.02Å; L96-F225 HydrophobicContact CD1-CZ 3.26Å; L96-F225 HydrophobicContact CD2-CG 4.43Å; Y99-F225 HydrophobicContact CD1-CZ 4.49Å; Y99-F225 HydrophobicContact CE1-CZ 4.35Å; L100-F225 HydrophobicContact CD2-CE2 4.32Å; L100-F225 HydrophobicContact CD2-CZ 4.46Å; I222-F225 HydrophobicContact CG2-CB 4.04Å; I222-F225 HydrophobicContact CG2-CD2 4.41Å; F225-T227 WeakPolarHBondContact CE2-O 3.31Å; F225-P228 HydrophobicContact CZ-CG 4.34Å; F225-F231 HydrophobicContact CD2-CB 3.54Å; F225-F231 HydrophobicContact CD2-CG 4.17Å; F225-F231 HydrophobicContact CE2-CB 4.14Å; F225-F231 HydrophobicContact CE2-CD1 4.48Å; F225-F231 HydrophobicContact CE2-CG 4.42Å; F225-F231 HydrophobicContact CG-CB 4.45Å
226	S	60.1	Low	65.3	Low	28 Å²	28	44.4 Å²	44.4	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-35.6	170.5	-40.6	0	0	0	0	112.4	W21 H224 S230	W21-S226 VanDerWaalsContact CE3-C 3.43Å; W21-S226 WeakPolarHBondContact CH2-O 3.17Å; W21-S226 WeakPolarHBondContact CZ2-O 3.49Å; W21-S226 WeakPolarHBondContact CZ3-O 3.25Å; H224-S226 PolarHBondContact CD2-OG 2.81Å; H224-S226 PolarHBondContact NE2-OG 2.95Å; S226-S230 CarbonylContact C-O 3.55Å; S226-S230 WeakPolarHBondContact CA-O 3.47Å; S226-S230 WeakPolarHBondContact CB-O 3.32Å; S226-S230 PolarHBondContact N-O 2.9Å
227	T	53.7	Low	65.3	Low	54 Å²	54	46.7 Å²	46.7	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	171.5	167.2	67.6	0	0	0	0	107.7	F225 H229 S230	F225-T227 WeakPolarHBondContact CE2-O 3.31Å; T227-H229 PolarHBondContact O-N 2.96Å; T227-H229 VanDerWaalsContact O-N 3.13Å; T227-H229 PolarHBondContact OG1-N 3.22Å; T227-H229 VanDerWaalsContact OG1-N 3.13Å; T227-S230 PolarHBondContact N-O 3.37Å; T227-S230 CarbonylContact O-C 3.54Å; T227-S230 VanDerWaalsContact O-C 3.22Å; T227-S230 PolarHBondContact O-N 3.38Å; T227-S230 WeakPolarHBondContact OG1-CB 3.16Å; T227-S230 PolarHBondContact OG1-N 2.99Å
228	P	53	Low	65.7	Low	8 Å²	8	44.1 Å²	44.1	5%	0.052	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.1	165.9	-31.4	38.2	0	0	0	115.2	Y99 L103 F225 F231 V329	Y99-P228 HydrophobicContact CD1-CG 4.08Å; Y99-P228 HydrophobicContact CE1-CB 4.48Å; Y99-P228 HydrophobicContact CE1-CG 3.12Å; Y99-P228 WeakPolarHBondContact OH-CG 3.37Å; L103-P228 HydrophobicContact CD1-CB 3.59Å; L103-P228 HydrophobicContact CD1-CG 3.28Å; F225-P228 HydrophobicContact CZ-CG 4.34Å; P228-F231 WeakPolarHBondContact O-CE1 3.23Å; P228-V329 WeakPolarHBondContact O-CG2 3.44Å; P228-V329 PolarHBondContact O-N 3.35Å
229	H	53.9	Low	66	Low	127 Å²	127	45.2 Å²	45.2	59%	0.588	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.4	-178.1	-59.2	-61.9	0	0	0	112.3	T227 S328	T227-H229 PolarHBondContact O-N 2.96Å; T227-H229 VanDerWaalsContact O-N 3.13Å; T227-H229 PolarHBondContact OG1-N 3.22Å; T227-H229 VanDerWaalsContact OG1-N 3.13Å; H229-S328 VanDerWaalsContact O-CB 3.22Å; H229-S328 WeakPolarHBondContact O-CB 3.36Å
230	S	59.1	Low	66.3	Low	44 Å²	44	50.1 Å²	50.1	31%	0.308	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	95.1	-178.5	177.9	0	0	0	0	108.9	S226 T227	S226-S230 CarbonylContact C-O 3.55Å; S226-S230 WeakPolarHBondContact CA-O 3.47Å; S226-S230 WeakPolarHBondContact CB-O 3.32Å; S226-S230 PolarHBondContact N-O 2.9Å; T227-S230 PolarHBondContact N-O 3.37Å; T227-S230 CarbonylContact O-C 3.54Å; T227-S230 VanDerWaalsContact O-C 3.22Å; T227-S230 PolarHBondContact O-N 3.38Å; T227-S230 WeakPolarHBondContact OG1-CB 3.16Å; T227-S230 PolarHBondContact OG1-N 2.99Å
231	F	63.5	Low	66.6	Low	6 Å²	6	52.1 Å²	52.1	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166.8	174	62	-81.3	0	0	0	109.3	H224 F225 P228 V233 C327 V329 I344	H224-F231 CarbonylContact O-C 3.5Å; F225-F231 HydrophobicContact CD2-CB 3.54Å; F225-F231 HydrophobicContact CD2-CG 4.17Å; F225-F231 HydrophobicContact CE2-CB 4.14Å; F225-F231 HydrophobicContact CE2-CD1 4.48Å; F225-F231 HydrophobicContact CE2-CG 4.42Å; F225-F231 HydrophobicContact CG-CB 4.45Å; P228-F231 WeakPolarHBondContact O-CE1 3.23Å; F231-V233 HydrophobicContact CD2-CG2 3.82Å; F231-V233 HydrophobicContact CE2-CG2 3.67Å; F231-C327 HydrophobicContact CD1-CB 4.41Å; F231-C327 VanDerWaalsContact CD1-O 3.22Å; F231-C327 WeakPolarHBondContact CD1-O 3.15Å; F231-C327 HydrophobicContact CD2-CB 3.76Å; F231-C327 HydrophobicContact CE1-CB 4.08Å; F231-C327 WeakPolarHBondContact CE1-O 3.27Å; F231-C327 HydrophobicContact CE2-CB 3.42Å; F231-C327 VanDerWaalsContact CE2-CB 3.42Å; F231-C327 HydrophobicContact CG-CB 4.25Å; F231-C327 HydrophobicContact CZ-CB 3.58Å; F231-C327 PolarHBondContact N-O 3.32Å; F231-C327 WeakPolarHBondContact O-CA 3.4Å; F231-C327 WeakPolarHBondContact O-CB 3.44Å; F231-C327 PolarHBondContact O-N 3.12Å; F231-V329 HydrophobicContact CE1-CG2 3.56Å; F231-V329 HydrophobicContact CZ-CG2 3.85Å; F231-I344 HydrophobicContact CE2-CD1 3.63Å; F231-I344 HydrophobicContact CE2-CG1 4.45Å; F231-I344 HydrophobicContact CZ-CD1 3.65Å; F231-I344 HydrophobicContact CZ-CG1 3.97Å; F231-I344 HydrophobicContact CZ-CG2 4.15Å
232	Y	69	Low	67.2	Low	31 Å²	31	46.1 Å²	46.1	12%	0.122	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.9	-175.8	-63.2	-104.9	0	0	0	109.3	I222 C223 H224 E299 G304 V325 A326	I222-Y232 CarbonylContact C-O 3.47Å; I222-Y232 WeakPolarHBondContact CA-O 3.28Å; C223-Y232 PolarHBondContact N-O 3.3Å; C223-Y232 VanDerWaalsContact SG-C 3.57Å; C223-Y232 PolarHBondContact SG-O 3.39Å; C223-Y232 VanDerWaalsContact SG-O 3.34Å; H224-Y232 HydrophobicContact CB-CD2 4.16Å; H224-Y232 AromaticContact CD2-CD2 3.81Å; H224-Y232 PolarHBondContact N-O 3.07Å; H224-Y232 PolarHBondContact O-N 2.9Å; Y232-E299 PolarHBondContact OH-OE1 2.9Å; Y232-G304 VanDerWaalsContact CD1-CA 3.46Å; Y232-G304 WeakPolarHBondContact CE2-O 3.4Å; Y232-G304 VanDerWaalsContact CG-CA 3.48Å; Y232-V325 VanDerWaalsContact CA-O 3.31Å; Y232-V325 WeakPolarHBondContact CA-O 3.38Å; Y232-A326 HydrophobicContact CD1-CB 3.96Å; Y232-A326 HydrophobicContact CE1-CB 3.73Å
233	V	70.4	Confident	67.8	Low	2 Å²	2	52 Å²	52	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139	179.9	-175.9	0	0	0	0	109	Y168 F218 R221 F231 V325 C327 I344	Y168-V233 HydrophobicContact CD2-CG1 4.31Å; Y168-V233 HydrophobicContact CE2-CG1 3.96Å; F218-V233 HydrophobicContact CE2-CG1 3.87Å; F218-V233 HydrophobicContact CZ-CG1 3.95Å; R221-V233 CarbonylContact O-C 3.59Å; R221-V233 WeakPolarHBondContact O-CA 3.49Å; F231-V233 HydrophobicContact CD2-CG2 3.82Å; F231-V233 HydrophobicContact CE2-CG2 3.67Å; V233-V325 PolarHBondContact N-O 2.92Å; V233-V325 PolarHBondContact O-N 3.27Å; V233-V325 VanDerWaalsContact O-N 3.07Å; V233-C327 HydrophobicContact CG2-CB 4.23Å; V233-I344 HydrophobicContact CG2-CD1 4.41Å
234	T	70.2	Confident	68.3	Low	5 Å²	5	58 Å²	58	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.7	170.1	-168	0	0	0	0	110.2	G220 R221 C223 E239	G220-T234 CarbonylContact C-O 3.58Å; G220-T234 VanDerWaalsContact CA-O 3.29Å; G220-T234 WeakPolarHBondContact CA-O 3.38Å; R221-T234 HydrophobicContact CB-CG2 4.16Å; R221-T234 PolarHBondContact N-O 3.36Å; R221-T234 PolarHBondContact O-N 3.39Å; C223-T234 HydrophobicContact CB-CG2 3.85Å; T234-E239 HydrophobicContact CG2-CG 3.79Å
235	A	72.6	Confident	68.7	Low	4 Å²	4	57.4 Å²	57.4	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	146.2	172.8	0	0	0	0	0	110.2	Q237 W238 E239	A235-Q237 HydrophobicContact CB-CG 4.03Å; A235-Q237 PolarHBondContact O-N 2.91Å; A235-W238 HydrophobicContact CB-CD2 3.89Å; A235-W238 HydrophobicContact CB-CE3 3.73Å; A235-W238 HydrophobicContact CB-CG 4.44Å; A235-W238 HydrophobicContact CB-CH2 4.49Å; A235-W238 HydrophobicContact CB-CZ3 4.04Å; A235-W238 PolarHBondContact O-N 3.47Å; A235-E239 PolarHBondContact O-N 2.95Å
236	K	71.2	Confident	69.5	Low	169 Å²	169	57.2 Å²	57.2	74%	0.735	26%	0.259	S	S	*	.	H	α-helix	trans	-53.7	-32.3	-179.7	-170.2	175.9	-177.2	177.2	0	113.6	W238	K236-W238 VanDerWaalsContact C-N 3.33Å
237	Q	70.1	Confident	70.5	Confident	72 Å²	72	61.2 Å²	61.2	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.8	64.5	-173.6	18.9	0	0	112.3	Q209 A235	Q209-Q237 PolarHBondContact O-NE2 3.24Å; A235-Q237 HydrophobicContact CB-CG 4.03Å; A235-Q237 PolarHBondContact O-N 2.91Å
238	W	74.3	Confident	71.7	Confident	9 Å²	9	63.6 Å²	63.6	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-79.3	-29.5	-178.3	-58	-32.5	0	0	0	112.9	L206 Q209 I210 A235 K236 R240 D241 V242 V322 V325	L206-W238 HydrophobicContact CB-CH2 4.32Å; Q209-W238 HydrophobicContact CB-CZ2 4.49Å; I210-W238 HydrophobicContact CD1-CH2 3.71Å; I210-W238 HydrophobicContact CD1-CZ2 4.46Å; I210-W238 HydrophobicContact CD1-CZ3 4.37Å; I210-W238 HydrophobicContact CG1-CH2 3.38Å; I210-W238 HydrophobicContact CG1-CZ2 3.64Å; I210-W238 HydrophobicContact CG1-CZ3 4.33Å; A235-W238 HydrophobicContact CB-CD2 3.89Å; A235-W238 HydrophobicContact CB-CE3 3.73Å; A235-W238 HydrophobicContact CB-CG 4.44Å; A235-W238 HydrophobicContact CB-CH2 4.49Å; A235-W238 HydrophobicContact CB-CZ3 4.04Å; A235-W238 PolarHBondContact O-N 3.47Å; K236-W238 VanDerWaalsContact C-N 3.33Å; W238-R240 PolarHBondContact O-N 3.38Å; W238-R240 VanDerWaalsContact O-N 3.14Å; W238-D241 PolarHBondContact O-N 3.47Å; W238-V242 WeakPolarHBondContact O-CG2 2.96Å; W238-V242 PolarHBondContact O-N 3.16Å; W238-V322 HydrophobicContact CB-CG1 3.82Å; W238-V322 HydrophobicContact CD2-CG1 4.45Å; W238-V322 HydrophobicContact CG-CG1 3.62Å; W238-V325 HydrophobicContact CH2-CG2 3.65Å; W238-V325 HydrophobicContact CZ3-CG2 3.73Å
239	E	72.8	Confident	72.9	Confident	37 Å²	37	63.2 Å²	63.2	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-37.3	-178.7	-66.2	-169.3	154.7	0	0	113.1	R221 T234 A235 R243	R221-E239 IonicContact CZ-OE1 2.77Å; R221-E239 IonicContact NE-OE1 3.73Å; R221-E239 PolarHBondContact NE-OE1 3.29Å; R221-E239 IonicContact NH2-OE1 4Å; T234-E239 HydrophobicContact CG2-CG 3.79Å; A235-E239 PolarHBondContact O-N 2.95Å; E239-R243 WeakPolarHBondContact O-CG 3.42Å; E239-R243 PolarHBondContact O-N 3.28Å; E239-R243 VanDerWaalsContact O-N 3.17Å
240	R	75.1	Confident	74.2	Confident	170 Å²	170	59.6 Å²	59.6	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-69	-39.7	177.2	-173.2	-177	-71	168.9	-3.9	111.4	W238 R244	W238-R240 PolarHBondContact O-N 3.38Å; W238-R240 VanDerWaalsContact O-N 3.14Å; R240-R244 WeakPolarHBondContact O-CG 3.38Å; R240-R244 PolarHBondContact O-N 3.44Å; R240-R244 VanDerWaalsContact O-N 3.1Å
241	D	73.9	Confident	75.2	Confident	59 Å²	59	65.5 Å²	65.5	32%	0.316	29%	0.286	S	S	.	.	H	α-helix	trans	-73.8	-37.7	-178.5	-63.6	-27.8	0	0	0	111.6	W238 R244 M245 V322	W238-D241 PolarHBondContact O-N 3.47Å; D241-R244 PolarHBondContact O-N 3.13Å; D241-R244 IonicContact OD1-NH1 2.72Å; D241-M245 WeakPolarHBondContact O-CB 3.26Å; D241-M245 PolarHBondContact O-N 3.04Å; D241-V322 HydrophobicContact CB-CG1 4.44Å; D241-V322 HydrophobicContact CB-CG2 4.14Å
242	V	77.7	Confident	75.8	Confident	7 Å²	7	68 Å²	68	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-51.7	171.7	171.7	0	0	0	0	110.3	W238 R244 M245 E246 D302	W238-V242 WeakPolarHBondContact O-CG2 2.96Å; W238-V242 PolarHBondContact O-N 3.16Å; V242-R244 PolarHBondContact O-N 3.2Å; V242-M245 WeakPolarHBondContact O-CB 3.28Å; V242-M245 PolarHBondContact O-N 2.55Å; V242-M245 VanDerWaalsContact O-N 3.07Å; V242-E246 HydrophobicContact CG1-CG 4.43Å; V242-E246 WeakPolarHBondContact O-CG 3.25Å; V242-E246 PolarHBondContact O-N 2.86Å; V242-D302 HydrophobicContact CG1-CB 3.84Å; V242-D302 HydrophobicContact CG2-CB 3.99Å
243	R	80.9	Confident	76.1	Confident	154 Å²	154	67.4 Å²	67.4	58%	0.581	30%	0.298	S	S	*	.	H	α-helix	trans	-59.5	-44.8	178.4	-72.1	-176.6	-146.3	-178.4	4.8	112.5	E239 M245 E246 D247	E239-R243 WeakPolarHBondContact O-CG 3.42Å; E239-R243 PolarHBondContact O-N 3.28Å; E239-R243 VanDerWaalsContact O-N 3.17Å; R243-M245 PolarHBondContact O-N 2.8Å; R243-E246 PolarHBondContact O-N 3.3Å; R243-D247 WeakPolarHBondContact O-CB 3.29Å; R243-D247 VanDerWaalsContact O-CG 3.3Å; R243-D247 PolarHBondContact O-N 2.92Å
244	R	79	Confident	76.2	Confident	151 Å²	151	76.6 Å²	76.6	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-38.5	176.1	-77.1	172.6	176	176	-6.6	111.9	R240 D241 V242 Y248	R240-R244 WeakPolarHBondContact O-CG 3.38Å; R240-R244 PolarHBondContact O-N 3.44Å; R240-R244 VanDerWaalsContact O-N 3.1Å; D241-R244 PolarHBondContact O-N 3.13Å; D241-R244 IonicContact OD1-NH1 2.72Å; V242-R244 PolarHBondContact O-N 3.2Å; R244-Y248 VanDerWaalsContact O-CB 3.23Å; R244-Y248 WeakPolarHBondContact O-CB 3.35Å; R244-Y248 PolarHBondContact O-N 2.95Å
245	M	77.2	Confident	76.1	Confident	34 Å²	34	82.8 Å²	82.8	17%	0.167	37%	0.371	C	S	.	.	H	α-helix	trans	-68.4	-45.8	177.6	-170.1	62.3	59.4	0	0	111.7	D241 V242 R243 D247 Y248 L249 R283 V320	D241-M245 WeakPolarHBondContact O-CB 3.26Å; D241-M245 PolarHBondContact O-N 3.04Å; V242-M245 WeakPolarHBondContact O-CB 3.28Å; V242-M245 PolarHBondContact O-N 2.55Å; V242-M245 VanDerWaalsContact O-N 3.07Å; R243-M245 PolarHBondContact O-N 2.8Å; M245-D247 PolarHBondContact O-N 3.38Å; M245-Y248 PolarHBondContact O-N 2.85Å; M245-L249 HydrophobicContact CG-CD1 4.2Å; M245-L249 HydrophobicContact CG-CG 4.45Å; M245-L249 WeakPolarHBondContact O-CB 3.05Å; M245-L249 VanDerWaalsContact O-CG 3.29Å; M245-L249 WeakPolarHBondContact O-CG 3.47Å; M245-L249 PolarHBondContact O-N 2.73Å; M245-R283 HydrophobicContact CG-CG 4.03Å; M245-V320 HydrophobicContact CE-CB 4.42Å; M245-V320 WeakPolarHBondContact CE-O 3.45Å
246	E	82.5	Confident	75.7	Confident	31 Å²	31	83.5 Å²	83.5	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-43.3	176.5	-69	179.4	148.9	0	0	111.7	V242 R243 L249 T250 H303	V242-E246 HydrophobicContact CG1-CG 4.43Å; V242-E246 WeakPolarHBondContact O-CG 3.25Å; V242-E246 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact O-N 3.3Å; E246-L249 PolarHBondContact O-N 3.28Å; E246-T250 VanDerWaalsContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.07Å; E246-T250 PolarHBondContact O-OG1 3.45Å; E246-H303 IonicContact OE1-CD2 3.76Å; E246-H303 IonicContact OE1-CE1 3Å; E246-H303 IonicContact OE1-NE2 2.64Å; E246-H303 PolarHBondContact OE1-NE2 2.85Å
247	D	80.5	Confident	75.5	Confident	112 Å²	112	81.8 Å²	81.8	60%	0.599	37%	0.369	S	S	*	.	H	α-helix	trans	-61.7	-44.9	175	-73.7	-22.9	0	0	0	111.2	R243 M245 T250 K251	R243-D247 WeakPolarHBondContact O-CB 3.29Å; R243-D247 VanDerWaalsContact O-CG 3.3Å; R243-D247 PolarHBondContact O-N 2.92Å; M245-D247 PolarHBondContact O-N 3.38Å; D247-T250 PolarHBondContact O-N 3.4Å; D247-K251 VanDerWaalsContact O-CB 3.28Å; D247-K251 WeakPolarHBondContact O-CB 3.43Å; D247-K251 PolarHBondContact O-N 3.41Å
248	Y	78.7	Confident	75.3	Confident	103 Å²	103	85.6 Å²	85.6	40%	0.404	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-51.6	177.2	177.8	-90.7	0	0	0	111.4	R244 M245 T250 K251 H252	R244-Y248 VanDerWaalsContact O-CB 3.23Å; R244-Y248 WeakPolarHBondContact O-CB 3.35Å; R244-Y248 PolarHBondContact O-N 2.95Å; M245-Y248 PolarHBondContact O-N 2.85Å; Y248-T250 VanDerWaalsContact C-N 3.27Å; Y248-T250 PolarHBondContact O-N 3.31Å; Y248-K251 PolarHBondContact O-N 2.97Å; Y248-H252 AromaticContact CD2-CD2 3.34Å; Y248-H252 WeakPolarHBondContact CD2-CD2 3.33Å; Y248-H252 AromaticContact CD2-NE2 3.78Å; Y248-H252 HydrophobicContact CE1-CB 4.43Å; Y248-H252 AromaticContact CE2-CD2 3.27Å; Y248-H252 WeakPolarHBondContact CE2-CD2 3.31Å; Y248-H252 AromaticContact CE2-NE2 3.6Å; Y248-H252 AromaticContact CG-CD2 3.86Å; Y248-H252 AromaticContact CZ-CD2 3.72Å; Y248-H252 WeakPolarHBondContact O-CB 3.38Å; Y248-H252 PolarHBondContact O-CD2 2.94Å; Y248-H252 PolarHBondContact O-N 3.48Å
249	L	78.1	Confident	75.3	Confident	1 Å²	1	86.3 Å²	86.3	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-59.1	-42.2	178.8	-73.7	174.6	0	0	0	111.1	M245 E246 H252 S253 C271 W281 R283 A318	M245-L249 HydrophobicContact CG-CD1 4.2Å; M245-L249 HydrophobicContact CG-CG 4.45Å; M245-L249 WeakPolarHBondContact O-CB 3.05Å; M245-L249 VanDerWaalsContact O-CG 3.29Å; M245-L249 WeakPolarHBondContact O-CG 3.47Å; M245-L249 PolarHBondContact O-N 2.73Å; E246-L249 PolarHBondContact O-N 3.28Å; L249-H252 PolarHBondContact O-N 3.05Å; L249-S253 VanDerWaalsContact O-CA 3.31Å; L249-S253 WeakPolarHBondContact O-CA 3.46Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.3Å; L249-S253 PolarHBondContact O-N 3.18Å; L249-C271 HydrophobicContact CD1-CB 4.27Å; L249-C271 HydrophobicContact CD2-CB 3.9Å; L249-W281 HydrophobicContact CB-CB 3.56Å; L249-R283 HydrophobicContact CD1-CG 3.8Å; L249-A318 HydrophobicContact CD2-CB 4.16Å; L249-A318 WeakPolarHBondContact CD2-O 3.46Å
250	T	81.6	Confident	75.5	Confident	51 Å²	51	91.1 Å²	91.1	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-63.5	-47.2	179	-59	0	0	0	0	110.8	E246 D247 Y248 H252 S253 W281	E246-T250 VanDerWaalsContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.07Å; E246-T250 PolarHBondContact O-OG1 3.45Å; D247-T250 PolarHBondContact O-N 3.4Å; Y248-T250 VanDerWaalsContact C-N 3.27Å; Y248-T250 PolarHBondContact O-N 3.31Å; T250-H252 PolarHBondContact O-N 3.12Å; T250-S253 PolarHBondContact O-OG 3.14Å; T250-W281 PolarHBondContact OG1-N 3.4Å; T250-W281 VanDerWaalsContact OG1-N 3.15Å
251	K	79.4	Confident	75.6	Confident	167 Å²	167	90 Å²	90	73%	0.726	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-36.9	178.8	-173.9	177	-178.8	179.6	0	113.3	D247 Y248	D247-K251 VanDerWaalsContact O-CB 3.28Å; D247-K251 WeakPolarHBondContact O-CB 3.43Å; D247-K251 PolarHBondContact O-N 3.41Å; Y248-K251 PolarHBondContact O-N 2.97Å
252	H	75.9	Confident	75.9	Confident	59 Å²	59	93.4 Å²	93.4	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-103.6	4.8	-173.2	-64.7	-72.7	0	0	0	114	Y248 L249 T250 K254 N255	Y248-H252 AromaticContact CD2-CD2 3.34Å; Y248-H252 WeakPolarHBondContact CD2-CD2 3.33Å; Y248-H252 AromaticContact CD2-NE2 3.78Å; Y248-H252 HydrophobicContact CE1-CB 4.43Å; Y248-H252 AromaticContact CE2-CD2 3.27Å; Y248-H252 WeakPolarHBondContact CE2-CD2 3.31Å; Y248-H252 AromaticContact CE2-NE2 3.6Å; Y248-H252 AromaticContact CG-CD2 3.86Å; Y248-H252 AromaticContact CZ-CD2 3.72Å; Y248-H252 WeakPolarHBondContact O-CB 3.38Å; Y248-H252 PolarHBondContact O-CD2 2.94Å; Y248-H252 PolarHBondContact O-N 3.48Å; L249-H252 PolarHBondContact O-N 3.05Å; T250-H252 PolarHBondContact O-N 3.12Å; H252-K254 VanDerWaalsContact C-N 3.25Å; H252-K254 PolarHBondContact O-N 3.17Å; H252-K254 VanDerWaalsContact O-N 3.14Å; H252-N255 WeakPolarHBondContact O-CB 3.41Å; H252-N255 PolarHBondContact O-N 3.47Å
253	S	75.3	Confident	76	Confident	18 Å²	18	97.6 Å²	97.6	13%	0.126	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-52.4	-37.2	-177.2	54.3	0	0	0	0	114.6	L249 T250 N255 L256	L249-S253 VanDerWaalsContact O-CA 3.31Å; L249-S253 WeakPolarHBondContact O-CA 3.46Å; L249-S253 VanDerWaalsContact O-CB 3.26Å; L249-S253 WeakPolarHBondContact O-CB 3.3Å; L249-S253 PolarHBondContact O-N 3.18Å; T250-S253 PolarHBondContact O-OG 3.14Å; S253-N255 PolarHBondContact O-N 3.08Å; S253-L256 WeakPolarHBondContact O-CB 3.27Å; S253-L256 WeakPolarHBondContact O-CG 3.47Å; S253-L256 PolarHBondContact O-N 2.99Å; S253-L256 VanDerWaalsContact O-N 3.15Å
254	K	73.2	Confident	76	Confident	196 Å²	196	91.4 Å²	91.4	85%	0.852	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.6	179.2	-64.3	-175	-179.6	-179.6	0	113.7	H252	H252-K254 VanDerWaalsContact C-N 3.25Å; H252-K254 PolarHBondContact O-N 3.17Å; H252-K254 VanDerWaalsContact O-N 3.14Å
255	N	67.6	Low	76.1	Confident	134 Å²	134	89.8 Å²	89.8	72%	0.717	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-95.2	-0.8	-179.9	-61	-18.3	0	0	0	112.3	H252 S253	H252-N255 WeakPolarHBondContact O-CB 3.41Å; H252-N255 PolarHBondContact O-N 3.47Å; S253-N255 PolarHBondContact O-N 3.08Å
256	L	64.7	Low	76.1	Confident	20 Å²	20	93.9 Å²	93.9	11%	0.105	45%	0.445	C	S	.	.	S	Bend	trans	-77	142.1	-178.4	-60.2	177.5	0	0	0	111	S253 K258 W281 Y315 K317 A318	S253-L256 WeakPolarHBondContact O-CB 3.27Å; S253-L256 WeakPolarHBondContact O-CG 3.47Å; S253-L256 PolarHBondContact O-N 2.99Å; S253-L256 VanDerWaalsContact O-N 3.15Å; L256-K258 PolarHBondContact O-N 3.28Å; L256-W281 HydrophobicContact CD1-CE3 4.34Å; L256-W281 HydrophobicContact CD1-CZ3 4.49Å; L256-Y315 HydrophobicContact CB-CD1 3.62Å; L256-Y315 HydrophobicContact CB-CD2 3.4Å; L256-Y315 VanDerWaalsContact CB-CD2 3.4Å; L256-Y315 HydrophobicContact CB-CE1 3.95Å; L256-Y315 HydrophobicContact CB-CE2 3.77Å; L256-Y315 HydrophobicContact CB-CG 3.32Å; L256-Y315 HydrophobicContact CD1-CD2 3.45Å; L256-Y315 VanDerWaalsContact CD1-CD2 3.45Å; L256-Y315 HydrophobicContact CD1-CE2 4.11Å; L256-Y315 HydrophobicContact CD1-CG 3.98Å; L256-Y315 HydrophobicContact CG-CD2 4.06Å; L256-Y315 HydrophobicContact CG-CG 4.28Å; L256-Y315 WeakPolarHBondContact O-CE1 3.35Å; L256-K317 WeakPolarHBondContact CD2-O 3.47Å; L256-A318 HydrophobicContact CD2-CB 3.62Å
257	H	66	Low	75.6	Confident	133 Å²	133	94.2 Å²	94.2	62%	0.616	46%	0.457	S	S	*	.			trans	-83.2	112.5	-172	-167	53.9	0	0	0	111.9	I259 Y315	H257-I259 PolarHBondContact O-N 3.05Å; H257-Y315 VanDerWaalsContact O-CD1 3.26Å; H257-Y315 WeakPolarHBondContact O-CD1 3.3Å
258	K	67.7	Low	75.6	Confident	152 Å²	152	89.6 Å²	89.6	66%	0.661	43%	0.431	S	S	*	.	B	Isolated β-bridge	trans	-55.6	134.9	180	-71.2	-176.5	178.8	-178	0	111.2	L256 Y315	L256-K258 PolarHBondContact O-N 3.28Å; K258-Y315 HydrophobicContact CB-CE1 4.18Å; K258-Y315 HydrophobicContact CG-CE1 3.57Å
259	I	73.5	Confident	75.5	Confident	23 Å²	23	85.2 Å²	85.2	12%	0.118	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-102.6	148.3	177.4	-101	-169.7	0	0	0	111.2	H257 E263 I264 M268 F314 C316	H257-I259 PolarHBondContact O-N 3.05Å; I259-E263 HydrophobicContact CG2-CB 4.47Å; I259-I264 HydrophobicContact CG2-CD1 3.87Å; I259-I264 HydrophobicContact CG2-CG1 3.49Å; I259-I264 VanDerWaalsContact CG2-CG1 3.49Å; I259-M268 HydrophobicContact CD1-CE 3.56Å; I259-M268 HydrophobicContact CD1-SD 4.27Å; I259-F314 HydrophobicContact CB-CD1 4.37Å; I259-F314 HydrophobicContact CD1-CE1 4.48Å; I259-F314 HydrophobicContact CG2-CD1 3.93Å; I259-F314 HydrophobicContact CG2-CE1 4.25Å; I259-C316 HydrophobicContact CD1-CB 3.1Å; I259-C316 HydrophobicContact CG1-CB 4.08Å
260	K	76.9	Confident	75.5	Confident	139 Å²	139	85.1 Å²	85.1	60%	0.604	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-85.3	147.1	170.4	-65.1	178.5	-179	174.9	0	110.3	T262 E263	K260-T262 PolarHBondContact O-N 3.35Å; K260-T262 VanDerWaalsContact O-N 3.11Å; K260-E263 HydrophobicContact CB-CG 4.17Å; K260-E263 PolarHBondContact N-OE2 3.28Å; K260-E263 WeakPolarHBondContact O-CB 3.31Å; K260-E263 PolarHBondContact O-N 3.01Å
261	R	77.7	Confident	75.6	Confident	145 Å²	145	82.8 Å²	82.8	55%	0.547	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-53.7	-35.9	178.3	-169	170.6	177.8	168.1	-4	113.2	E263 I264 L311	R261-E263 PolarHBondContact O-N 3.09Å; R261-I264 PolarHBondContact O-N 3.05Å; R261-L311 HydrophobicContact CB-CD1 4.33Å; R261-L311 HydrophobicContact CB-CD2 3.79Å; R261-L311 HydrophobicContact CG-CD2 4.46Å
262	T	80.1	Confident	75.9	Confident	132 Å²	132	74.8 Å²	74.8	81%	0.81	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-67.5	-13.1	179	52.2	0	0	0	0	114.1	K260	K260-T262 PolarHBondContact O-N 3.35Å; K260-T262 VanDerWaalsContact O-N 3.11Å
263	E	80.2	Confident	76.4	Confident	94 Å²	94	75.1 Å²	75.1	44%	0.439	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-97.3	-6.9	-180	-60.7	165.5	172.6	0	0	112	I259 K260 R261	I259-E263 HydrophobicContact CG2-CB 4.47Å; K260-E263 HydrophobicContact CB-CG 4.17Å; K260-E263 PolarHBondContact N-OE2 3.28Å; K260-E263 WeakPolarHBondContact O-CB 3.31Å; K260-E263 PolarHBondContact O-N 3.01Å; R261-E263 PolarHBondContact O-N 3.09Å
264	I	79.3	Confident	76.8	Confident	25 Å²	25	74.3 Å²	74.3	13%	0.128	36%	0.361	C	S	.	.			trans	-87.3	132	-178.8	-57	179.1	0	0	0	109.5	I259 R261 Y286 L296 L311 F314	I259-I264 HydrophobicContact CG2-CD1 3.87Å; I259-I264 HydrophobicContact CG2-CG1 3.49Å; I259-I264 VanDerWaalsContact CG2-CG1 3.49Å; R261-I264 PolarHBondContact O-N 3.05Å; I264-Y286 HydrophobicContact CG2-CD1 3.54Å; I264-Y286 HydrophobicContact CG2-CD2 3.75Å; I264-Y286 HydrophobicContact CG2-CE1 3.69Å; I264-Y286 HydrophobicContact CG2-CE2 3.89Å; I264-Y286 HydrophobicContact CG2-CG 3.55Å; I264-L296 HydrophobicContact CD1-CD1 4.07Å; I264-L311 HydrophobicContact CD1-CD1 3.41Å; I264-L311 VanDerWaalsContact CD1-CD1 3.41Å; I264-F314 HydrophobicContact CD1-CD1 3.76Å; I264-F314 HydrophobicContact CD1-CE1 3.84Å; I264-F314 HydrophobicContact CD1-CG 4.18Å; I264-F314 HydrophobicContact CD1-CZ 4.3Å; I264-F314 HydrophobicContact CG1-CD1 4.2Å; I264-F314 HydrophobicContact CG1-CE1 3.87Å; I264-F314 HydrophobicContact CG1-CZ 4.42Å; I264-F314 HydrophobicContact CG2-CE1 4.44Å; I264-F314 HydrophobicContact CG2-CZ 4.18Å
265	F	81	Confident	77.1	Confident	116 Å²	116	68.5 Å²	68.5	51%	0.509	34%	0.339	S	S	.	.			trans	-133	154.5	175.8	57.3	-89.4	0	0	0	110.8	G267 M268 Y286	F265-G267 PolarHBondContact O-N 3.45Å; F265-M268 HydrophobicContact CD1-CB 4.31Å; F265-M268 HydrophobicContact CD1-CG 4.44Å; F265-M268 HydrophobicContact CD1-SD 4.26Å; F265-M268 HydrophobicContact CD2-CB 4.03Å; F265-M268 HydrophobicContact CE1-CB 4.14Å; F265-M268 HydrophobicContact CE1-CE 4.03Å; F265-M268 HydrophobicContact CE1-CG 3.93Å; F265-M268 HydrophobicContact CE1-SD 4.01Å; F265-M268 HydrophobicContact CE2-CB 3.84Å; F265-M268 HydrophobicContact CE2-CG 4.33Å; F265-M268 HydrophobicContact CG-CB 4.27Å; F265-M268 HydrophobicContact CZ-CB 3.9Å; F265-M268 HydrophobicContact CZ-CG 3.87Å; F265-M268 WeakPolarHBondContact O-CB 3.29Å; F265-M268 PolarHBondContact O-N 3.3Å; F265-M268 VanDerWaalsContact O-N 3.1Å; F265-Y286 VanDerWaalsContact O-CD1 3.24Å; F265-Y286 WeakPolarHBondContact O-CD1 3.38Å
266	N	77.5	Confident	77.3	Confident	121 Å²	121	66.5 Å²	66.5	65%	0.647	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.4	-179.5	-164.1	-1.1	0	0	0	111.4	M268 Y286 L287	N266-M268 VanDerWaalsContact C-N 3.32Å; N266-Y286 PolarHBondContact OD1-O 3.23Å; N266-L287 PolarHBondContact OD1-O 3.48Å
267	G	73	Confident	77.2	Confident	38 Å²	38	73.8 Å²	73.8	39%	0.392	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	4.1	-175.4	0	0	0	0	0	114.9	F265 A269 Y286	F265-G267 PolarHBondContact O-N 3.45Å; G267-A269 PolarHBondContact O-N 2.74Å; G267-Y286 WeakPolarHBondContact CA-O 3.14Å; G267-Y286 PolarHBondContact N-O 3.4Å
268	M	79.2	Confident	77	Confident	14 Å²	14	69.1 Å²	69.1	7%	0.069	34%	0.342	C	S	.	.			trans	-63.2	123.4	179.6	-177.2	-178.7	-156.8	0	0	111.5	I259 F265 N266 C270 C285 Y286 F314 C316	I259-M268 HydrophobicContact CD1-CE 3.56Å; I259-M268 HydrophobicContact CD1-SD 4.27Å; F265-M268 HydrophobicContact CD1-CB 4.31Å; F265-M268 HydrophobicContact CD1-CG 4.44Å; F265-M268 HydrophobicContact CD1-SD 4.26Å; F265-M268 HydrophobicContact CD2-CB 4.03Å; F265-M268 HydrophobicContact CE1-CB 4.14Å; F265-M268 HydrophobicContact CE1-CE 4.03Å; F265-M268 HydrophobicContact CE1-CG 3.93Å; F265-M268 HydrophobicContact CE1-SD 4.01Å; F265-M268 HydrophobicContact CE2-CB 3.84Å; F265-M268 HydrophobicContact CE2-CG 4.33Å; F265-M268 HydrophobicContact CG-CB 4.27Å; F265-M268 HydrophobicContact CZ-CB 3.9Å; F265-M268 HydrophobicContact CZ-CG 3.87Å; F265-M268 WeakPolarHBondContact O-CB 3.29Å; F265-M268 PolarHBondContact O-N 3.3Å; F265-M268 VanDerWaalsContact O-N 3.1Å; N266-M268 VanDerWaalsContact C-N 3.32Å; M268-C270 PolarHBondContact O-N 3.18Å; M268-C285 WeakPolarHBondContact O-CA 3.24Å; M268-Y286 PolarHBondContact O-N 2.83Å; M268-F314 HydrophobicContact SD-CE1 4.05Å; M268-F314 HydrophobicContact SD-CZ 4.3Å; M268-C316 HydrophobicContact CE-CB 3.58Å; M268-C316 VanDerWaalsContact CE-SG 3.52Å
269	A	77.5	Confident	77.1	Confident	11 Å²	11	66.5 Å²	66.5	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	129.3	169.8	0	0	0	0	0	110.4	Y200 G267	Y200-A269 HydrophobicContact CD2-CB 4.03Å; Y200-A269 HydrophobicContact CE2-CB 3.51Å; G267-A269 PolarHBondContact O-N 2.74Å
270	C	79	Confident	77.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	169.2	-174.8	60.2	0	0	0	0	111.4	Y200 M268 V272 G284 F314 Y315	Y200-C270 PolarHBondContact OH-O 2.73Å; M268-C270 PolarHBondContact O-N 3.18Å; C270-V272 HydrophobicContact CB-CG1 4.38Å; C270-G284 PolarHBondContact N-O 3.25Å; C270-G284 PolarHBondContact O-N 3.08Å; C270-G284 VanDerWaalsContact O-O 3.1Å; C270-G284 PolarHBondContact SG-O 3.45Å; C270-F314 HydrophobicContact CB-CD2 4.28Å; C270-F314 HydrophobicContact CB-CE1 3.82Å; C270-F314 HydrophobicContact CB-CE2 3.55Å; C270-F314 HydrophobicContact CB-CZ 3.28Å; C270-F314 WeakPolarHBondContact SG-CE2 3.47Å; C270-Y315 CarbonylContact C-O 3.6Å; C270-Y315 VanDerWaalsContact CA-O 3.31Å; C270-Y315 WeakPolarHBondContact CA-O 3.47Å; C270-Y315 WeakPolarHBondContact CB-O 3.42Å
271	C	82.6	Confident	77.6	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127	171.2	-34.5	0	0	0	0	106.3	L249 M282 Y315 A318 C319	L249-C271 HydrophobicContact CD1-CB 4.27Å; L249-C271 HydrophobicContact CD2-CB 3.9Å; C271-M282 CarbonylContact C-O 3.52Å; C271-M282 VanDerWaalsContact CA-O 3.23Å; C271-M282 WeakPolarHBondContact CA-O 3.45Å; C271-Y315 PolarHBondContact N-O 3.49Å; C271-Y315 PolarHBondContact O-N 2.62Å; C271-Y315 VanDerWaalsContact O-N 3.08Å; C271-A318 PolarHBondContact SG-O 3.4Å; C271-C319 WeakPolarHBondContact CB-SG 3.44Å; C271-C319 WeakPolarHBondContact SG-CB 2.91Å; C271-C319 CovalentContact SG-SG 2.1Å; C271-C319 PolarHBondContact SG-SG 3.03Å
272	V	86.4	Confident	77.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.1	-166.9	-64	0	0	0	0	112.8	C270 W281 M282 I298 V307 N313 F314	C270-V272 HydrophobicContact CB-CG1 4.38Å; V272-W281 CarbonylContact O-C 3.4Å; V272-W281 WeakPolarHBondContact O-CA 3Å; V272-M282 PolarHBondContact N-O 3.02Å; V272-M282 PolarHBondContact O-N 3.34Å; V272-I298 HydrophobicContact CB-CD1 4.36Å; V272-I298 HydrophobicContact CG1-CD1 3.99Å; V272-I298 HydrophobicContact CG1-CG1 3.99Å; V272-I298 HydrophobicContact CG1-CG2 4.41Å; V272-I298 HydrophobicContact CG2-CB 4.27Å; V272-I298 HydrophobicContact CG2-CD1 4.29Å; V272-I298 HydrophobicContact CG2-CG1 4.37Å; V272-I298 HydrophobicContact CG2-CG2 3.93Å; V272-V307 HydrophobicContact CG2-CG2 4.2Å; V272-N313 WeakPolarHBondContact CA-O 3.37Å; V272-F314 HydrophobicContact CG1-CD2 3.51Å; V272-F314 HydrophobicContact CG1-CE2 3.98Å; V272-F314 HydrophobicContact CG1-CG 4.31Å
273	Y	86.5	Confident	77.9	Confident	65 Å²	65	48 Å²	48	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.5	171	-173.3	-104.8	0	0	0	110.7	L275 P279 W281 S309 N313	Y273-L275 HydrophobicContact CD1-CD2 3.95Å; Y273-L275 HydrophobicContact CE1-CD2 4.14Å; Y273-L275 PolarHBondContact O-N 2.85Å; Y273-P279 HydrophobicContact CE2-CB 3.98Å; Y273-P279 VanDerWaalsContact OH-CA 3.25Å; Y273-P279 WeakPolarHBondContact OH-CA 3.44Å; Y273-P279 WeakPolarHBondContact OH-CB 3.26Å; Y273-W281 AromaticContact CD2-CD1 3.81Å; Y273-W281 HydrophobicContact CD2-CD2 4.43Å; Y273-W281 AromaticContact CD2-CE2 3.91Å; Y273-W281 HydrophobicContact CD2-CG 4.39Å; Y273-W281 HydrophobicContact CD2-CZ2 4.4Å; Y273-W281 AromaticContact CD2-NE1 3.53Å; Y273-W281 HydrophobicContact CG-CZ2 4.49Å; Y273-S309 WeakPolarHBondContact O-CB 3.41Å; Y273-S309 PolarHBondContact O-OG 3.35Å; Y273-N313 PolarHBondContact N-O 3.24Å
274	N	84.1	Confident	77.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.234	C	C	.	.			trans	-78.1	114.8	178.5	-170.4	-11.1	0	0	0	111.1	N276 R277 S280 M282	N274-N276 WeakPolarHBondContact OD1-CB 3.15Å; N274-N276 PolarHBondContact OD1-N 3.43Å; N274-R277 PolarHBondContact OD1-N 3.25Å; N274-S280 PolarHBondContact N-O 3.11Å; N274-M282 HydrophobicContact CB-CE 3.83Å; N274-M282 HydrophobicContact CB-CG 4.45Å; N274-M282 HydrophobicContact CB-SD 4.05Å; N274-M282 WeakPolarHBondContact ND2-CE 3.28Å
275	L	78.2	Confident	78	Confident	75 Å²	75	43.3 Å²	43.3	39%	0.393	24%	0.235	S	C	.	.	S	Bend	trans	-80.8	-21.9	174.3	-63.9	173.1	0	0	0	113	Y273 L295 K308 L310	Y273-L275 HydrophobicContact CD1-CD2 3.95Å; Y273-L275 HydrophobicContact CE1-CD2 4.14Å; Y273-L275 PolarHBondContact O-N 2.85Å; L275-L295 HydrophobicContact CD1-CD2 4.1Å; L275-K308 WeakPolarHBondContact CB-O 3.45Å; L275-K308 WeakPolarHBondContact CG-O 3.19Å; L275-K308 PolarHBondContact N-O 3.26Å; L275-L310 HydrophobicContact CD1-CG 4.1Å
276	N	71.2	Confident	78.1	Confident	92 Å²	92	39.1 Å²	39.1	49%	0.492	22%	0.216	S	C	.	.	S	Bend	trans	-87.4	-31.3	-168.4	-61.6	19	0	0	0	113	N274	N274-N276 WeakPolarHBondContact OD1-CB 3.15Å; N274-N276 PolarHBondContact OD1-N 3.43Å
277	R	62.9	Low	78.4	Confident	172 Å²	172	36 Å²	36	65%	0.649	20%	0.199	S	C	*	.	S	Bend	trans	-131.3	30.9	-169.3	-72.6	-166.2	170.6	-170.8	-2	115.9	N274	N274-R277 PolarHBondContact OD1-N 3.25Å
278	G	63.3	Low	79.2	Confident	35 Å²	35	39.7 Å²	39.7	36%	0.361	20%	0.204	S	C	.	.	S	Bend	trans	95.5	-179.8	175	0	0	0	0	0	113.9	S280	G278-S280 VanDerWaalsContact C-N 3.27Å; G278-S280 PolarHBondContact O-N 3.28Å
279	P	68	Low	79.6	Confident	98 Å²	98	40.2 Å²	40.2	64%	0.636	21%	0.208	S	C	*	.	S	Bend	trans	-83.6	62	-161.1	35.6	-38.1	0	0	0	113.1	Y273	Y273-P279 HydrophobicContact CE2-CB 3.98Å; Y273-P279 VanDerWaalsContact OH-CA 3.25Å; Y273-P279 WeakPolarHBondContact OH-CA 3.44Å; Y273-P279 WeakPolarHBondContact OH-CB 3.26Å
280	S	78.7	Confident	80	Confident	30 Å²	30	42 Å²	42	21%	0.21	22%	0.215	C	C	.	.			trans	-114.4	139.9	173.8	62.3	0	0	0	0	111.8	N274 G278	N274-S280 PolarHBondContact N-O 3.11Å; G278-S280 VanDerWaalsContact C-N 3.27Å; G278-S280 PolarHBondContact O-N 3.28Å
281	W	83.9	Confident	80.1	Confident	18 Å²	18	51 Å²	51	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.8	165.4	-75.3	79.4	0	0	0	109.7	L249 T250 L256 V272 Y273 N313 Y315	L249-W281 HydrophobicContact CB-CB 3.56Å; T250-W281 PolarHBondContact OG1-N 3.4Å; T250-W281 VanDerWaalsContact OG1-N 3.15Å; L256-W281 HydrophobicContact CD1-CE3 4.34Å; L256-W281 HydrophobicContact CD1-CZ3 4.49Å; V272-W281 CarbonylContact O-C 3.4Å; V272-W281 WeakPolarHBondContact O-CA 3Å; Y273-W281 AromaticContact CD2-CD1 3.81Å; Y273-W281 HydrophobicContact CD2-CD2 4.43Å; Y273-W281 AromaticContact CD2-CE2 3.91Å; Y273-W281 HydrophobicContact CD2-CG 4.39Å; Y273-W281 HydrophobicContact CD2-CZ2 4.4Å; Y273-W281 AromaticContact CD2-NE1 3.53Å; Y273-W281 HydrophobicContact CG-CZ2 4.49Å; W281-N313 HydrophobicContact CH2-CB 3.82Å; W281-N313 WeakPolarHBondContact CH2-O 3.43Å; W281-N313 HydrophobicContact CZ2-CB 4.41Å; W281-N313 WeakPolarHBondContact CZ3-O 3.09Å; W281-Y315 HydrophobicContact CE3-CD2 4.22Å; W281-Y315 AromaticContact CH2-CD2 3.4Å; W281-Y315 HydrophobicContact CH2-CD2 3.4Å; W281-Y315 VanDerWaalsContact CH2-CD2 3.4Å; W281-Y315 AromaticContact CH2-CE2 3.11Å; W281-Y315 HydrophobicContact CH2-CE2 3.11Å; W281-Y315 HydrophobicContact CZ2-CD2 4.42Å; W281-Y315 AromaticContact CZ2-CE2 3.87Å; W281-Y315 HydrophobicContact CZ2-CE2 3.87Å; W281-Y315 AromaticContact CZ3-CD2 3.27Å; W281-Y315 HydrophobicContact CZ3-CD2 3.27Å; W281-Y315 AromaticContact CZ3-CE2 3.56Å; W281-Y315 HydrophobicContact CZ3-CE2 3.56Å; W281-Y315 HydrophobicContact CZ3-CG 4.48Å
282	M	84	Confident	80.1	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.5	-172.8	-51.6	-168.9	-46.8	0	0	110.6	C271 V272 N274 C300 Y305 V307	C271-M282 CarbonylContact C-O 3.52Å; C271-M282 VanDerWaalsContact CA-O 3.23Å; C271-M282 WeakPolarHBondContact CA-O 3.45Å; V272-M282 PolarHBondContact N-O 3.02Å; V272-M282 PolarHBondContact O-N 3.34Å; N274-M282 HydrophobicContact CB-CE 3.83Å; N274-M282 HydrophobicContact CB-CG 4.45Å; N274-M282 HydrophobicContact CB-SD 4.05Å; N274-M282 WeakPolarHBondContact ND2-CE 3.28Å; M282-C300 HydrophobicContact CE-CB 4.01Å; M282-Y305 HydrophobicContact CE-CE2 4.04Å; M282-Y305 PolarHBondContact SD-OH 2.92Å; M282-Y305 VanDerWaalsContact SD-OH 3.37Å; M282-V307 HydrophobicContact CE-CB 4.19Å; M282-V307 HydrophobicContact CE-CG1 3.43Å; M282-V307 VanDerWaalsContact CE-CG1 3.43Å; M282-V307 HydrophobicContact CE-CG2 3.84Å
283	R	80.2	Confident	80	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.8	169.8	-53.4	-168	-76.9	-160	-9.1	109.7	M245 L249 C300 V301 D302 C319 V320 V322	M245-R283 HydrophobicContact CG-CG 4.03Å; L249-R283 HydrophobicContact CD1-CG 3.8Å; R283-C300 WeakPolarHBondContact O-CA 3.35Å; R283-C300 PolarHBondContact O-SG 3.08Å; R283-V301 HydrophobicContact CB-CG2 3.69Å; R283-V301 PolarHBondContact O-N 2.88Å; R283-D302 IonicContact CZ-OD1 3.17Å; R283-D302 IonicContact CZ-OD2 3.3Å; R283-D302 VanDerWaalsContact CZ-OD2 3.3Å; R283-D302 IonicContact NE-OD1 3.13Å; R283-D302 PolarHBondContact NE-OD1 2.98Å; R283-D302 VanDerWaalsContact NE-OD1 3.13Å; R283-D302 IonicContact NE-OD2 2.75Å; R283-D302 PolarHBondContact NE-OD2 3.34Å; R283-D302 IonicContact NH2-OD1 3.77Å; R283-D302 PolarHBondContact NH2-OD1 3.15Å; R283-D302 IonicContact NH2-OD2 3.24Å; R283-D302 PolarHBondContact NH2-OD2 3.02Å; R283-C319 HydrophobicContact CG-CB 4.23Å; R283-C319 WeakPolarHBondContact CG-SG 3.48Å; R283-V320 PolarHBondContact NH1-O 3.05Å; R283-V322 PolarHBondContact NH2-O 3.03Å
284	G	79.3	Confident	80	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	175.9	176.9	0	0	0	0	0	115.3	C270 E299	C270-G284 PolarHBondContact N-O 3.25Å; C270-G284 PolarHBondContact O-N 3.08Å; C270-G284 VanDerWaalsContact O-O 3.1Å; C270-G284 PolarHBondContact SG-O 3.45Å; G284-E299 CarbonylContact C-O 3.56Å; G284-E299 WeakPolarHBondContact CA-O 3.43Å
285	C	81.4	Confident	80.2	Confident	22 Å²	22	61.8 Å²	61.8	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.9	170.8	-77.4	0	0	0	0	108.7	Y200 M268 L287 I298 E299 V301	Y200-C285 VanDerWaalsContact CD2-SG 3.57Å; M268-C285 WeakPolarHBondContact O-CA 3.24Å; C285-L287 PolarHBondContact O-N 2.74Å; C285-I298 CarbonylContact O-C 3.59Å; C285-I298 WeakPolarHBondContact O-CA 3.34Å; C285-I298 WeakPolarHBondContact O-CG2 3.4Å; C285-E299 PolarHBondContact N-O 3.34Å; C285-E299 PolarHBondContact O-N 3.2Å; C285-V301 HydrophobicContact CB-CG1 4.33Å
286	Y	84.1	Confident	80.7	Confident	27 Å²	27	58.2 Å²	58.2	11%	0.106	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129.9	174.8	170.7	-97.2	0	0	0	110.1	I264 F265 N266 G267 M268 K288 T289 L296 F314	I264-Y286 HydrophobicContact CG2-CD1 3.54Å; I264-Y286 HydrophobicContact CG2-CD2 3.75Å; I264-Y286 HydrophobicContact CG2-CE1 3.69Å; I264-Y286 HydrophobicContact CG2-CE2 3.89Å; I264-Y286 HydrophobicContact CG2-CG 3.55Å; F265-Y286 VanDerWaalsContact O-CD1 3.24Å; F265-Y286 WeakPolarHBondContact O-CD1 3.38Å; N266-Y286 PolarHBondContact OD1-O 3.23Å; G267-Y286 WeakPolarHBondContact CA-O 3.14Å; G267-Y286 PolarHBondContact N-O 3.4Å; M268-Y286 PolarHBondContact O-N 2.83Å; Y286-K288 VanDerWaalsContact CE2-C 3.42Å; Y286-K288 WeakPolarHBondContact CE2-O 3.46Å; Y286-K288 VanDerWaalsContact CZ-C 3.4Å; Y286-T289 PolarHBondContact OH-N 3.42Å; Y286-T289 VanDerWaalsContact OH-N 3.07Å; Y286-T289 PolarHBondContact OH-OG1 3.46Å; Y286-L296 HydrophobicContact CD2-CB 4.34Å; Y286-L296 HydrophobicContact CE2-CB 4.24Å; Y286-L296 HydrophobicContact CE2-CD2 3.92Å; Y286-F314 HydrophobicContact CD2-CE2 4.27Å
287	L	82.8	Confident	81.6	Confident	55 Å²	55	56.1 Å²	56.1	29%	0.288	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-58.5	178.2	-62.2	178.3	0	0	0	111.1	N266 C285 Q297 E299	N266-L287 PolarHBondContact OD1-O 3.48Å; C285-L287 PolarHBondContact O-N 2.74Å; L287-Q297 WeakPolarHBondContact CB-O 3.34Å; L287-Q297 HydrophobicContact CD1-CG 4.27Å; L287-Q297 PolarHBondContact N-O 2.93Å; L287-E299 HydrophobicContact CD1-CB 4Å; L287-E299 HydrophobicContact CD2-CB 4.02Å; L287-E299 HydrophobicContact CG-CB 4.05Å
288	K	88.9	Confident	82.7	Confident	117 Å²	117	47.9 Å²	47.9	51%	0.509	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	172.6	-176.6	63	175	178.6	175.3	0	111.8	Y286 Q297	Y286-K288 VanDerWaalsContact CE2-C 3.42Å; Y286-K288 WeakPolarHBondContact CE2-O 3.46Å; Y286-K288 VanDerWaalsContact CZ-C 3.4Å; K288-Q297 HydrophobicContact CG-CB 4.07Å; K288-Q297 PolarHBondContact N-O 3.15Å; K288-Q297 PolarHBondContact O-N 3.35Å
289	T	88.8	Confident	83.7	Confident	24 Å²	24	49.1 Å²	49.1	15%	0.147	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	167.1	-58.1	0	0	0	0	108.4	Y286 E291 L295 L296	Y286-T289 PolarHBondContact OH-N 3.42Å; Y286-T289 VanDerWaalsContact OH-N 3.07Å; Y286-T289 PolarHBondContact OH-OG1 3.46Å; T289-E291 PolarHBondContact O-N 2.94Å; T289-L295 CarbonylContact C-O 3.56Å; T289-L295 WeakPolarHBondContact CA-O 3.32Å; T289-L296 HydrophobicContact CG2-CD2 4.04Å; T289-L296 WeakPolarHBondContact OG1-CD2 3.4Å
290	E	85.8	Confident	84.4	Confident	50 Å²	50	44.5 Å²	44.5	23%	0.234	23%	0.234	C	C	.	.			trans	-67.4	124	171	-71.6	-176	173.9	0	0	109.1	D292 S293 G294 L295 K308	E290-D292 PolarHBondContact O-N 3.23Å; E290-S293 VanDerWaalsContact CB-OG 3.25Å; E290-S293 WeakPolarHBondContact CB-OG 3.48Å; E290-S293 PolarHBondContact OE2-OG 2.72Å; E290-G294 VanDerWaalsContact O-CA 3.24Å; E290-G294 WeakPolarHBondContact O-CA 3.29Å; E290-G294 PolarHBondContact O-N 3.11Å; E290-L295 PolarHBondContact N-O 2.99Å; E290-K308 WeakPolarHBondContact OE1-CE 3.37Å; E290-K308 IonicContact OE1-NZ 2.92Å; E290-K308 PolarHBondContact OE1-NZ 3.49Å; E290-K308 IonicContact OE2-NZ 3.59Å; E290-K308 PolarHBondContact OE2-NZ 3.18Å
291	E	81.3	Confident	84.4	Confident	187 Å²	187	44 Å²	44	87%	0.874	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-42.7	-173.9	-66.4	-177.1	170.4	0	0	111.8	T289	T289-E291 PolarHBondContact O-N 2.94Å
292	D	81.7	Confident	84.1	Confident	169 Å²	169	43.2 Å²	43.2	90%	0.904	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.6	-175.2	-56.5	-34.8	0	0	0	113	E290	E290-D292 PolarHBondContact O-N 3.23Å
293	S	85.5	Confident	83.7	Confident	61 Å²	61	44.6 Å²	44.6	43%	0.427	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-18.4	-172.2	68.6	0	0	0	0	113	E290 L295	E290-S293 VanDerWaalsContact CB-OG 3.25Å; E290-S293 WeakPolarHBondContact CB-OG 3.48Å; E290-S293 PolarHBondContact OE2-OG 2.72Å; S293-L295 PolarHBondContact O-N 2.84Å; S293-L295 VanDerWaalsContact OG-CB 3.3Å; S293-L295 WeakPolarHBondContact OG-CB 3.42Å; S293-L295 WeakPolarHBondContact OG-CG 3.46Å; S293-L295 PolarHBondContact OG-N 3.33Å; S293-L295 VanDerWaalsContact OG-N 3.16Å
294	G	84.9	Confident	83.4	Confident	29 Å²	29	44.8 Å²	44.8	30%	0.299	24%	0.235	S	C	.	.			trans	65.7	7	-168.3	0	0	0	0	0	113.9	E290	E290-G294 VanDerWaalsContact O-CA 3.24Å; E290-G294 WeakPolarHBondContact O-CA 3.29Å; E290-G294 PolarHBondContact O-N 3.11Å
295	L	89.3	Confident	83.1	Confident	35 Å²	35	46.4 Å²	46.4	18%	0.183	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-71.7	140.9	178.7	-66.7	173.1	0	0	0	110.5	L275 T289 E290 S293 K308 L310	L275-L295 HydrophobicContact CD1-CD2 4.1Å; T289-L295 CarbonylContact C-O 3.56Å; T289-L295 WeakPolarHBondContact CA-O 3.32Å; E290-L295 PolarHBondContact N-O 2.99Å; S293-L295 PolarHBondContact O-N 2.84Å; S293-L295 VanDerWaalsContact OG-CB 3.3Å; S293-L295 WeakPolarHBondContact OG-CB 3.42Å; S293-L295 WeakPolarHBondContact OG-CG 3.46Å; S293-L295 PolarHBondContact OG-N 3.33Å; S293-L295 VanDerWaalsContact OG-N 3.16Å; L295-K308 HydrophobicContact CD1-CB 4.38Å; L295-K308 HydrophobicContact CD1-CD 3.9Å; L295-L310 HydrophobicContact CD2-CD2 3.67Å; L295-L310 HydrophobicContact CD2-CG 4.23Å
296	L	89.3	Confident	83.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.8	173.4	-50.9	-176.2	0	0	0	108.3	I264 Y286 T289 I298 K308 S309 L311 F314	I264-L296 HydrophobicContact CD1-CD1 4.07Å; Y286-L296 HydrophobicContact CD2-CB 4.34Å; Y286-L296 HydrophobicContact CE2-CB 4.24Å; Y286-L296 HydrophobicContact CE2-CD2 3.92Å; T289-L296 HydrophobicContact CG2-CD2 4.04Å; T289-L296 WeakPolarHBondContact OG1-CD2 3.4Å; L296-I298 HydrophobicContact CB-CD1 3.8Å; L296-I298 WeakPolarHBondContact O-CD1 3.48Å; L296-K308 CarbonylContact O-C 3.57Å; L296-K308 WeakPolarHBondContact O-CA 3.34Å; L296-S309 PolarHBondContact N-O 2.96Å; L296-S309 PolarHBondContact O-N 2.92Å; L296-L311 HydrophobicContact CD1-CB 4.41Å; L296-L311 HydrophobicContact CD1-CD1 4.15Å; L296-F314 HydrophobicContact CD1-CB 3.88Å; L296-F314 HydrophobicContact CD1-CD2 3.52Å; L296-F314 HydrophobicContact CD1-CE2 4.24Å; L296-F314 HydrophobicContact CD1-CG 3.83Å
297	Q	89.3	Confident	83.3	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.22	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.3	169.2	-167	178.1	0.7	0	0	108.9	L287 K288 A306 V307	L287-Q297 WeakPolarHBondContact CB-O 3.34Å; L287-Q297 HydrophobicContact CD1-CG 4.27Å; L287-Q297 PolarHBondContact N-O 2.93Å; K288-Q297 HydrophobicContact CG-CB 4.07Å; K288-Q297 PolarHBondContact N-O 3.15Å; K288-Q297 PolarHBondContact O-N 3.35Å; Q297-A306 HydrophobicContact CG-CB 4.28Å; Q297-V307 WeakPolarHBondContact CA-O 3.06Å
298	I	86.8	Confident	83.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130	-174.2	-58.5	103.6	0	0	0	109	V272 C285 L296 A306 V307 F314	V272-I298 HydrophobicContact CB-CD1 4.36Å; V272-I298 HydrophobicContact CG1-CD1 3.99Å; V272-I298 HydrophobicContact CG1-CG1 3.99Å; V272-I298 HydrophobicContact CG1-CG2 4.41Å; V272-I298 HydrophobicContact CG2-CB 4.27Å; V272-I298 HydrophobicContact CG2-CD1 4.29Å; V272-I298 HydrophobicContact CG2-CG1 4.37Å; V272-I298 HydrophobicContact CG2-CG2 3.93Å; C285-I298 CarbonylContact O-C 3.59Å; C285-I298 WeakPolarHBondContact O-CA 3.34Å; C285-I298 WeakPolarHBondContact O-CG2 3.4Å; L296-I298 HydrophobicContact CB-CD1 3.8Å; L296-I298 WeakPolarHBondContact O-CD1 3.48Å; I298-A306 CarbonylContact O-C 3.59Å; I298-A306 VanDerWaalsContact O-CA 3.26Å; I298-A306 WeakPolarHBondContact O-CA 3.43Å; I298-V307 HydrophobicContact CB-CG2 4.04Å; I298-V307 PolarHBondContact N-O 2.96Å; I298-V307 PolarHBondContact O-N 2.91Å; I298-F314 HydrophobicContact CG1-CE2 4.35Å
299	E	83.7	Confident	83.6	Confident	60 Å²	60	41.6 Å²	41.6	28%	0.28	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.7	168.3	-172	177.5	-167.7	0	0	109.3	Y232 G284 C285 L287 V301	Y232-E299 PolarHBondContact OH-OE1 2.9Å; G284-E299 CarbonylContact C-O 3.56Å; G284-E299 WeakPolarHBondContact CA-O 3.43Å; C285-E299 PolarHBondContact N-O 3.34Å; C285-E299 PolarHBondContact O-N 3.2Å; L287-E299 HydrophobicContact CD1-CB 4Å; L287-E299 HydrophobicContact CD2-CB 4.02Å; L287-E299 HydrophobicContact CG-CB 4.05Å; E299-V301 PolarHBondContact O-N 3.42Å
300	C	83.3	Confident	83.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	24%	0.239	C	C	.	.			trans	-80	109	176.6	-173.1	0	0	0	0	110.4	M282 R283 D302 H303 G304 Y305	M282-C300 HydrophobicContact CE-CB 4.01Å; R283-C300 WeakPolarHBondContact O-CA 3.35Å; R283-C300 PolarHBondContact O-SG 3.08Å; C300-D302 PolarHBondContact O-N 3.46Å; C300-D302 VanDerWaalsContact O-N 3.11Å; C300-H303 PolarHBondContact O-N 3.38Å; C300-H303 PolarHBondContact SG-CD2 3.45Å; C300-G304 WeakPolarHBondContact O-CA 3.4Å; C300-G304 PolarHBondContact O-N 3.45Å; C300-Y305 HydrophobicContact CB-CE2 4.46Å; C300-Y305 VanDerWaalsContact CB-O 3.31Å; C300-Y305 WeakPolarHBondContact CB-O 3.32Å; C300-Y305 PolarHBondContact N-O 2.95Å
301	V	78.5	Confident	83.3	Confident	19 Å²	19	44.9 Å²	44.9	12%	0.115	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.3	-173	-62.6	0	0	0	0	114.6	Y200 R283 C285 E299 P323 S324	Y200-V301 HydrophobicContact CD1-CG2 4.33Å; Y200-V301 HydrophobicContact CD2-CB 4.44Å; Y200-V301 HydrophobicContact CD2-CG1 3.76Å; Y200-V301 HydrophobicContact CD2-CG2 4.35Å; Y200-V301 HydrophobicContact CE1-CG2 3.98Å; Y200-V301 HydrophobicContact CE2-CB 4.43Å; Y200-V301 HydrophobicContact CE2-CG1 3.77Å; Y200-V301 HydrophobicContact CE2-CG2 3.97Å; Y200-V301 HydrophobicContact CG-CG1 4.39Å; R283-V301 HydrophobicContact CB-CG2 3.69Å; R283-V301 PolarHBondContact O-N 2.88Å; C285-V301 HydrophobicContact CB-CG1 4.33Å; E299-V301 PolarHBondContact O-N 3.42Å; V301-P323 WeakPolarHBondContact O-CA 3.38Å; V301-P323 WeakPolarHBondContact O-CB 3.25Å; V301-S324 PolarHBondContact O-N 3.19Å; V301-S324 PolarHBondContact O-OG 3.25Å; V301-S324 VanDerWaalsContact O-OG 3.04Å
302	D	76.2	Confident	83.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-19	-178.6	-63	-28.4	0	0	0	113.1	V242 R283 C300 V322 S324	V242-D302 HydrophobicContact CG1-CB 3.84Å; V242-D302 HydrophobicContact CG2-CB 3.99Å; R283-D302 IonicContact CZ-OD1 3.17Å; R283-D302 IonicContact CZ-OD2 3.3Å; R283-D302 VanDerWaalsContact CZ-OD2 3.3Å; R283-D302 IonicContact NE-OD1 3.13Å; R283-D302 PolarHBondContact NE-OD1 2.98Å; R283-D302 VanDerWaalsContact NE-OD1 3.13Å; R283-D302 IonicContact NE-OD2 2.75Å; R283-D302 PolarHBondContact NE-OD2 3.34Å; R283-D302 IonicContact NH2-OD1 3.77Å; R283-D302 PolarHBondContact NH2-OD1 3.15Å; R283-D302 IonicContact NH2-OD2 3.24Å; R283-D302 PolarHBondContact NH2-OD2 3.02Å; C300-D302 PolarHBondContact O-N 3.46Å; C300-D302 VanDerWaalsContact O-N 3.11Å; D302-V322 VanDerWaalsContact OD1-O 3.06Å; D302-S324 VanDerWaalsContact O-CB 3.28Å; D302-S324 WeakPolarHBondContact O-CB 3.38Å; D302-S324 PolarHBondContact O-OG 3.46Å
303	H	77.2	Confident	83.1	Confident	29 Å²	29	32.7 Å²	32.7	13%	0.134	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-21.8	-173	-58.6	-67.6	0	0	0	113.2	C223 H224 E246 C300 Y305 S324	C223-H303 PolarHBondContact SG-O 3.22Å; C223-H303 VanDerWaalsContact SG-O 3.4Å; H224-H303 WeakPolarHBondContact CB-O 3.44Å; E246-H303 IonicContact OE1-CD2 3.76Å; E246-H303 IonicContact OE1-CE1 3Å; E246-H303 IonicContact OE1-NE2 2.64Å; E246-H303 PolarHBondContact OE1-NE2 2.85Å; C300-H303 PolarHBondContact O-N 3.38Å; C300-H303 PolarHBondContact SG-CD2 3.45Å; H303-Y305 HydrophobicContact CB-CD1 3.38Å; H303-Y305 HydrophobicContact CB-CE1 3.1Å; H303-Y305 HydrophobicContact CB-CG 4.43Å; H303-Y305 AromaticContact CD2-CE1 3.88Å; H303-Y305 AromaticContact CG-CE1 3.57Å; H303-S324 PolarHBondContact N-OG 2.91Å
304	G	72.7	Confident	82.6	Confident	5 Å²	5	29.8 Å²	29.8	5%	0.052	17%	0.172	C	C	.	.	S	Bend	trans	84.8	-0.9	178.1	0	0	0	0	0	115.9	H224 Y232 C300	H224-G304 PolarHBondContact CD2-O 3.33Å; Y232-G304 VanDerWaalsContact CD1-CA 3.46Å; Y232-G304 WeakPolarHBondContact CE2-O 3.4Å; Y232-G304 VanDerWaalsContact CG-CA 3.48Å; C300-G304 WeakPolarHBondContact O-CA 3.4Å; C300-G304 PolarHBondContact O-N 3.45Å
305	Y	74.6	Confident	82	Confident	35 Å²	35	29.2 Å²	29.2	14%	0.137	16%	0.161	C	C	.	.			trans	-98.9	155.4	176.4	61.3	-99.1	0	0	0	112.3	M282 C300 H303 V307	M282-Y305 HydrophobicContact CE-CE2 4.04Å; M282-Y305 PolarHBondContact SD-OH 2.92Å; M282-Y305 VanDerWaalsContact SD-OH 3.37Å; C300-Y305 HydrophobicContact CB-CE2 4.46Å; C300-Y305 VanDerWaalsContact CB-O 3.31Å; C300-Y305 WeakPolarHBondContact CB-O 3.32Å; C300-Y305 PolarHBondContact N-O 2.95Å; H303-Y305 HydrophobicContact CB-CD1 3.38Å; H303-Y305 HydrophobicContact CB-CE1 3.1Å; H303-Y305 HydrophobicContact CB-CG 4.43Å; H303-Y305 AromaticContact CD2-CE1 3.88Å; H303-Y305 AromaticContact CG-CE1 3.57Å; Y305-V307 HydrophobicContact CD2-CG1 3.63Å; Y305-V307 HydrophobicContact CE2-CG1 3.32Å
306	A	83.3	Confident	80.5	Confident	45 Å²	45	29.5 Å²	29.5	37%	0.372	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	144.4	172.5	0	0	0	0	0	112.1	Q297 I298	Q297-A306 HydrophobicContact CG-CB 4.28Å; I298-A306 CarbonylContact O-C 3.59Å; I298-A306 VanDerWaalsContact O-CA 3.26Å; I298-A306 WeakPolarHBondContact O-CA 3.43Å
307	V	86.3	Confident	78.8	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	158.4	172.9	-64.8	0	0	0	0	112.1	V272 M282 Q297 I298 Y305	V272-V307 HydrophobicContact CG2-CG2 4.2Å; M282-V307 HydrophobicContact CE-CB 4.19Å; M282-V307 HydrophobicContact CE-CG1 3.43Å; M282-V307 VanDerWaalsContact CE-CG1 3.43Å; M282-V307 HydrophobicContact CE-CG2 3.84Å; Q297-V307 WeakPolarHBondContact CA-O 3.06Å; I298-V307 HydrophobicContact CB-CG2 4.04Å; I298-V307 PolarHBondContact N-O 2.96Å; I298-V307 PolarHBondContact O-N 2.91Å; Y305-V307 HydrophobicContact CD2-CG1 3.63Å; Y305-V307 HydrophobicContact CE2-CG1 3.32Å
308	K	88.4	Confident	76.8	Confident	72 Å²	72	33.4 Å²	33.4	31%	0.313	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.9	169.3	-56.6	-167.5	-175.5	-161.1	0	110.1	L275 E290 L295 L296	L275-K308 WeakPolarHBondContact CB-O 3.45Å; L275-K308 WeakPolarHBondContact CG-O 3.19Å; L275-K308 PolarHBondContact N-O 3.26Å; E290-K308 WeakPolarHBondContact OE1-CE 3.37Å; E290-K308 IonicContact OE1-NZ 2.92Å; E290-K308 PolarHBondContact OE1-NZ 3.49Å; E290-K308 IonicContact OE2-NZ 3.59Å; E290-K308 PolarHBondContact OE2-NZ 3.18Å; L295-K308 HydrophobicContact CD1-CB 4.38Å; L295-K308 HydrophobicContact CD1-CD 3.9Å; L296-K308 CarbonylContact O-C 3.57Å; L296-K308 WeakPolarHBondContact O-CA 3.34Å
309	S	87.9	Confident	74.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.3	173.3	-154.3	0	0	0	0	112.3	Y273 L296	Y273-S309 WeakPolarHBondContact O-CB 3.41Å; Y273-S309 PolarHBondContact O-OG 3.35Å; L296-S309 PolarHBondContact N-O 2.96Å; L296-S309 PolarHBondContact O-N 2.92Å
310	L	87.2	Confident	73	Confident	84 Å²	84	35.1 Å²	35.1	44%	0.44	20%	0.2	S	C	.	.			trans	-84.7	149.4	172.2	-70.8	166.2	0	0	0	109.6	L275 L295 A312 N313	L275-L310 HydrophobicContact CD1-CG 4.1Å; L295-L310 HydrophobicContact CD2-CD2 3.67Å; L295-L310 HydrophobicContact CD2-CG 4.23Å; L310-A312 PolarHBondContact O-N 2.83Å; L310-N313 CarbonylContact O-C 3.53Å; L310-N313 WeakPolarHBondContact O-CA 3.5Å; L310-N313 PolarHBondContact O-N 3.49Å
311	L	82.4	Confident	71.1	Confident	59 Å²	59	36.4 Å²	36.4	31%	0.309	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-54.8	-36.4	173	-179.4	66.1	0	0	0	112.6	R261 I264 L296 N313 F314	R261-L311 HydrophobicContact CB-CD1 4.33Å; R261-L311 HydrophobicContact CB-CD2 3.79Å; R261-L311 HydrophobicContact CG-CD2 4.46Å; I264-L311 HydrophobicContact CD1-CD1 3.41Å; I264-L311 VanDerWaalsContact CD1-CD1 3.41Å; L296-L311 HydrophobicContact CD1-CB 4.41Å; L296-L311 HydrophobicContact CD1-CD1 4.15Å; L311-N313 PolarHBondContact O-N 3.46Å; L311-N313 VanDerWaalsContact O-N 3.1Å; L311-F314 WeakPolarHBondContact O-CB 3.42Å; L311-F314 PolarHBondContact O-N 2.62Å; L311-F314 VanDerWaalsContact O-N 3.17Å
312	A	79	Confident	69.5	Low	62 Å²	62	36.9 Å²	36.9	51%	0.512	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.2	-18.9	176.6	0	0	0	0	0	113.4	L310	L310-A312 PolarHBondContact O-N 2.83Å
313	N	80.2	Confident	68.3	Low	39 Å²	39	37 Å²	37	21%	0.209	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-111.4	26.8	-179	-62.4	-24	0	0	0	112.5	V272 Y273 W281 L310 L311	V272-N313 WeakPolarHBondContact CA-O 3.37Å; Y273-N313 PolarHBondContact N-O 3.24Å; W281-N313 HydrophobicContact CH2-CB 3.82Å; W281-N313 WeakPolarHBondContact CH2-O 3.43Å; W281-N313 HydrophobicContact CZ2-CB 4.41Å; W281-N313 WeakPolarHBondContact CZ3-O 3.09Å; L310-N313 CarbonylContact O-C 3.53Å; L310-N313 WeakPolarHBondContact O-CA 3.5Å; L310-N313 PolarHBondContact O-N 3.49Å; L311-N313 PolarHBondContact O-N 3.46Å; L311-N313 VanDerWaalsContact O-N 3.1Å
314	F	73.9	Confident	66.6	Low	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.5	-178	-170.9	-83.4	0	0	0	111.3	I259 I264 M268 C270 V272 Y286 L296 I298 L311	I259-F314 HydrophobicContact CB-CD1 4.37Å; I259-F314 HydrophobicContact CD1-CE1 4.48Å; I259-F314 HydrophobicContact CG2-CD1 3.93Å; I259-F314 HydrophobicContact CG2-CE1 4.25Å; I264-F314 HydrophobicContact CD1-CD1 3.76Å; I264-F314 HydrophobicContact CD1-CE1 3.84Å; I264-F314 HydrophobicContact CD1-CG 4.18Å; I264-F314 HydrophobicContact CD1-CZ 4.3Å; I264-F314 HydrophobicContact CG1-CD1 4.2Å; I264-F314 HydrophobicContact CG1-CE1 3.87Å; I264-F314 HydrophobicContact CG1-CZ 4.42Å; I264-F314 HydrophobicContact CG2-CE1 4.44Å; I264-F314 HydrophobicContact CG2-CZ 4.18Å; M268-F314 HydrophobicContact SD-CE1 4.05Å; M268-F314 HydrophobicContact SD-CZ 4.3Å; C270-F314 HydrophobicContact CB-CD2 4.28Å; C270-F314 HydrophobicContact CB-CE1 3.82Å; C270-F314 HydrophobicContact CB-CE2 3.55Å; C270-F314 HydrophobicContact CB-CZ 3.28Å; C270-F314 WeakPolarHBondContact SG-CE2 3.47Å; V272-F314 HydrophobicContact CG1-CD2 3.51Å; V272-F314 HydrophobicContact CG1-CE2 3.98Å; V272-F314 HydrophobicContact CG1-CG 4.31Å; Y286-F314 HydrophobicContact CD2-CE2 4.27Å; L296-F314 HydrophobicContact CD1-CB 3.88Å; L296-F314 HydrophobicContact CD1-CD2 3.52Å; L296-F314 HydrophobicContact CD1-CE2 4.24Å; L296-F314 HydrophobicContact CD1-CG 3.83Å; I298-F314 HydrophobicContact CG1-CE2 4.35Å; L311-F314 WeakPolarHBondContact O-CB 3.42Å; L311-F314 PolarHBondContact O-N 2.62Å; L311-F314 VanDerWaalsContact O-N 3.17Å
315	Y	72.4	Confident	65.1	Low	17 Å²	17	35.7 Å²	35.7	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.1	-176.5	-60.6	-63.9	0	0	0	112.2	L256 H257 K258 C270 C271 W281	L256-Y315 HydrophobicContact CB-CD1 3.62Å; L256-Y315 HydrophobicContact CB-CD2 3.4Å; L256-Y315 VanDerWaalsContact CB-CD2 3.4Å; L256-Y315 HydrophobicContact CB-CE1 3.95Å; L256-Y315 HydrophobicContact CB-CE2 3.77Å; L256-Y315 HydrophobicContact CB-CG 3.32Å; L256-Y315 HydrophobicContact CD1-CD2 3.45Å; L256-Y315 VanDerWaalsContact CD1-CD2 3.45Å; L256-Y315 HydrophobicContact CD1-CE2 4.11Å; L256-Y315 HydrophobicContact CD1-CG 3.98Å; L256-Y315 HydrophobicContact CG-CD2 4.06Å; L256-Y315 HydrophobicContact CG-CG 4.28Å; L256-Y315 WeakPolarHBondContact O-CE1 3.35Å; H257-Y315 VanDerWaalsContact O-CD1 3.26Å; H257-Y315 WeakPolarHBondContact O-CD1 3.3Å; K258-Y315 HydrophobicContact CB-CE1 4.18Å; K258-Y315 HydrophobicContact CG-CE1 3.57Å; C270-Y315 CarbonylContact C-O 3.6Å; C270-Y315 VanDerWaalsContact CA-O 3.31Å; C270-Y315 WeakPolarHBondContact CA-O 3.47Å; C270-Y315 WeakPolarHBondContact CB-O 3.42Å; C271-Y315 PolarHBondContact N-O 3.49Å; C271-Y315 PolarHBondContact O-N 2.62Å; C271-Y315 VanDerWaalsContact O-N 3.08Å; W281-Y315 HydrophobicContact CE3-CD2 4.22Å; W281-Y315 AromaticContact CH2-CD2 3.4Å; W281-Y315 HydrophobicContact CH2-CD2 3.4Å; W281-Y315 VanDerWaalsContact CH2-CD2 3.4Å; W281-Y315 AromaticContact CH2-CE2 3.11Å; W281-Y315 HydrophobicContact CH2-CE2 3.11Å; W281-Y315 HydrophobicContact CZ2-CD2 4.42Å; W281-Y315 AromaticContact CZ2-CE2 3.87Å; W281-Y315 HydrophobicContact CZ2-CE2 3.87Å; W281-Y315 AromaticContact CZ3-CD2 3.27Å; W281-Y315 HydrophobicContact CZ3-CD2 3.27Å; W281-Y315 AromaticContact CZ3-CE2 3.56Å; W281-Y315 HydrophobicContact CZ3-CE2 3.56Å; W281-Y315 HydrophobicContact CZ3-CG 4.48Å
316	C	58.7	Low	63.6	Low	41 Å²	41	34.8 Å²	34.8	28%	0.277	21%	0.207	S	C	.	.	S	Bend	trans	-87.1	-15	-179	159.4	0	0	0	0	114.6	I259 M268	I259-C316 HydrophobicContact CD1-CB 3.1Å; I259-C316 HydrophobicContact CG1-CB 4.08Å; M268-C316 HydrophobicContact CE-CB 3.58Å; M268-C316 VanDerWaalsContact CE-SG 3.52Å
317	K	52.7	Low	61.5	Low	110 Å²	110	32.8 Å²	32.8	48%	0.478	19%	0.19	S	C	.	.	S	Bend	trans	-124.9	89.5	-165	-73	-176.8	175.6	176.4	0	112.3	P196 L256	P196-K317 HydrophobicContact CB-CG 4.23Å; L256-K317 WeakPolarHBondContact CD2-O 3.47Å
318	A	47.8	Very low	59.1	Low	19 Å²	19	33.3 Å²	33.3	16%	0.157	19%	0.194	C	C	.	.			trans	171	69.6	147.5	0	0	0	0	0	111.2	L249 L256 C271	L249-A318 HydrophobicContact CD2-CB 4.16Å; L249-A318 WeakPolarHBondContact CD2-O 3.46Å; L256-A318 HydrophobicContact CD2-CB 3.62Å; C271-A318 PolarHBondContact SG-O 3.4Å
319	C	47.4	Very low	56.6	Low	14 Å²	14	31.4 Å²	31.4	10%	0.095	19%	0.188	C	C	.	.			trans	-144.3	91.3	-178.8	-75.8	0	0	0	0	109.9	V197 Y200 C271 R283	V197-C319 WeakPolarHBondContact CB-O 3.22Å; V197-C319 WeakPolarHBondContact CG2-O 3.48Å; Y200-C319 HydrophobicContact CE1-CB 4.41Å; Y200-C319 WeakPolarHBondContact OH-CB 3.25Å; C271-C319 WeakPolarHBondContact CB-SG 3.44Å; C271-C319 WeakPolarHBondContact SG-CB 2.91Å; C271-C319 CovalentContact SG-SG 2.1Å; C271-C319 PolarHBondContact SG-SG 3.03Å; R283-C319 HydrophobicContact CG-CB 4.23Å; R283-C319 WeakPolarHBondContact CG-SG 3.48Å
320	V	43.2	Very low	54	Low	83 Å²	83	36 Å²	36	50%	0.503	21%	0.21	S	C	.	.			trans	-70.6	131.3	161	179.4	0	0	0	0	106.4	C194 M245 R283	C194-V320 HydrophobicContact CB-CG2 4.19Å; M245-V320 HydrophobicContact CE-CB 4.42Å; M245-V320 WeakPolarHBondContact CE-O 3.45Å; R283-V320 PolarHBondContact NH1-O 3.05Å
321	A	42.7	Very low	51.1	Low	27 Å²	27	38.6 Å²	38.6	22%	0.223	22%	0.215	C	C	.	.			trans	-79	138.8	-167.6	0	0	0	0	0	114.6	Y200 P201 P323	Y200-A321 HydrophobicContact CD1-CB 3.94Å; P201-A321 VanDerWaalsContact CD-CB 3.42Å; P201-A321 HydrophobicContact CG-CB 3.79Å; A321-P323 HydrophobicContact CB-CG 4.48Å
322	V	44.6	Very low	48.6	Very low	29 Å²	29	36.5 Å²	36.5	18%	0.176	20%	0.204	C	C	.	.			trans	-150.9	86.8	153.6	-172.5	0	0	0	0	106.9	W238 D241 R283 D302	W238-V322 HydrophobicContact CB-CG1 3.82Å; W238-V322 HydrophobicContact CD2-CG1 4.45Å; W238-V322 HydrophobicContact CG-CG1 3.62Å; D241-V322 HydrophobicContact CB-CG1 4.44Å; D241-V322 HydrophobicContact CB-CG2 4.14Å; R283-V322 PolarHBondContact NH2-O 3.03Å; D302-V322 VanDerWaalsContact OD1-O 3.06Å
323	P	51.7	Low	45.9	Very low	6 Å²	6	40.4 Å²	40.4	4%	0.039	21%	0.213	C	C	.	.			trans	-89.2	167.2	-171.2	1.1	20.3	0	0	0	113.5	P201 L206 V301 A321	P201-P323 HydrophobicContact CG-CG 4.31Å; L206-P323 HydrophobicContact CD1-CB 3.47Å; L206-P323 VanDerWaalsContact CD1-CB 3.47Å; L206-P323 HydrophobicContact CD1-CG 3.44Å; L206-P323 VanDerWaalsContact CD1-CG 3.44Å; L206-P323 HydrophobicContact CD2-CG 3.66Å; L206-P323 HydrophobicContact CG-CG 4.09Å; V301-P323 WeakPolarHBondContact O-CA 3.38Å; V301-P323 WeakPolarHBondContact O-CB 3.25Å; A321-P323 HydrophobicContact CB-CG 4.48Å
324	S	40.6	Very low	43.3	Very low	2 Å²	2	42 Å²	42	1%	0.014	22%	0.221	C	C	.	.			trans	-84.5	161.5	167.3	53.4	0	0	0	0	112.1	Q203 V301 D302 H303	Q203-S324 PolarHBondContact NE2-O 3.35Å; V301-S324 PolarHBondContact O-N 3.19Å; V301-S324 PolarHBondContact O-OG 3.25Å; V301-S324 VanDerWaalsContact O-OG 3.04Å; D302-S324 VanDerWaalsContact O-CB 3.28Å; D302-S324 WeakPolarHBondContact O-CB 3.38Å; D302-S324 PolarHBondContact O-OG 3.46Å; H303-S324 PolarHBondContact N-OG 2.91Å
325	V	42.1	Very low	41	Very low	4 Å²	4	44.7 Å²	44.7	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.7	-176.6	176.6	0	0	0	0	111.4	L206 V207 Y232 V233 W238 I346	L206-V325 HydrophobicContact CB-CG2 3.76Å; L206-V325 HydrophobicContact CD1-CG2 4.28Å; V207-V325 HydrophobicContact CG2-CG1 4.39Å; Y232-V325 VanDerWaalsContact CA-O 3.31Å; Y232-V325 WeakPolarHBondContact CA-O 3.38Å; V233-V325 PolarHBondContact N-O 2.92Å; V233-V325 PolarHBondContact O-N 3.27Å; V233-V325 VanDerWaalsContact O-N 3.07Å; W238-V325 HydrophobicContact CH2-CG2 3.65Å; W238-V325 HydrophobicContact CZ3-CG2 3.73Å; V325-I346 HydrophobicContact CG1-CB 4.42Å; V325-I346 HydrophobicContact CG1-CD1 3.53Å; V325-I346 HydrophobicContact CG1-CG1 3.87Å; V325-I346 HydrophobicContact CG1-CG2 3.75Å
326	A	43	Very low	38.7	Very low	15 Å²	15	48.2 Å²	48.2	12%	0.124	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.7	172.7	0	0	0	0	0	110.2	Q203 Y232 I346	Q203-A326 HydrophobicContact CG-CB 4.44Å; Y232-A326 HydrophobicContact CD1-CB 3.96Å; Y232-A326 HydrophobicContact CE1-CB 3.73Å; A326-I346 WeakPolarHBondContact O-CG2 3.49Å
327	C	39.7	Very low	37.1	Very low	3 Å²	3	55.1 Å²	55.1	2%	0.02	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.1	-167.4	-69.9	0	0	0	0	110.9	F231 V233 I344 M345	F231-C327 HydrophobicContact CD1-CB 4.41Å; F231-C327 VanDerWaalsContact CD1-O 3.22Å; F231-C327 WeakPolarHBondContact CD1-O 3.15Å; F231-C327 HydrophobicContact CD2-CB 3.76Å; F231-C327 HydrophobicContact CE1-CB 4.08Å; F231-C327 WeakPolarHBondContact CE1-O 3.27Å; F231-C327 HydrophobicContact CE2-CB 3.42Å; F231-C327 VanDerWaalsContact CE2-CB 3.42Å; F231-C327 HydrophobicContact CG-CB 4.25Å; F231-C327 HydrophobicContact CZ-CB 3.58Å; F231-C327 PolarHBondContact N-O 3.32Å; F231-C327 WeakPolarHBondContact O-CA 3.4Å; F231-C327 WeakPolarHBondContact O-CB 3.44Å; F231-C327 PolarHBondContact O-N 3.12Å; V233-C327 HydrophobicContact CG2-CB 4.23Å; C327-I344 HydrophobicContact CB-CG2 3.45Å; C327-I344 VanDerWaalsContact CB-CG2 3.45Å; C327-M345 WeakPolarHBondContact CA-O 3.44Å
328	S	35.7	Very low	36	Very low	13 Å²	13	60.7 Å²	60.7	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.2	171.3	65.9	0	0	0	0	110.2	H229 M345 D347	H229-S328 VanDerWaalsContact O-CB 3.22Å; H229-S328 WeakPolarHBondContact O-CB 3.36Å; S328-M345 PolarHBondContact N-O 3.47Å; S328-M345 PolarHBondContact O-N 3.45Å; S328-D347 WeakPolarHBondContact CB-OD1 3.34Å; S328-D347 PolarHBondContact OG-OD1 2.95Å
329	V	35.3	Very low	35.3	Very low	33 Å²	33	67 Å²	67	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.4	175.6	-179.2	0	0	0	0	108.9	L100 P228 F231 L332	L100-V329 HydrophobicContact CD2-CG2 4.22Å; P228-V329 WeakPolarHBondContact O-CG2 3.44Å; P228-V329 PolarHBondContact O-N 3.35Å; F231-V329 HydrophobicContact CE1-CG2 3.56Å; F231-V329 HydrophobicContact CZ-CG2 3.85Å; V329-L332 HydrophobicContact CG1-CD1 4.36Å
330	Q	34.3	Very low	34.8	Very low	95 Å²	95	69.8 Å²	69.8	44%	0.444	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-40.1	170.9	-102.8	-161.1	-1.8	0	0	113.5	M345	Q330-M345 HydrophobicContact CB-CB 4.43Å; Q330-M345 HydrophobicContact CB-CG 3.65Å; Q330-M345 VanDerWaalsContact CD-CE 3.42Å; Q330-M345 VanDerWaalsContact CD-CG 3.41Å; Q330-M345 HydrophobicContact CG-CB 4.3Å; Q330-M345 HydrophobicContact CG-CE 4.41Å; Q330-M345 HydrophobicContact CG-CG 3.67Å; Q330-M345 PolarHBondContact OE1-SD 2.89Å
331	Y	26.2	Very low	34.5	Very low	140 Å²	140	66.2 Å²	66.2	55%	0.549	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.5	-176.3	-63	-80.1	0	0	0	111.8	K343	Y331-K343 PolarHBondContact N-O 2.93Å; Y331-K343 CarbonylContact O-C 3.48Å; Y331-K343 VanDerWaalsContact O-CA 3.32Å; Y331-K343 WeakPolarHBondContact O-CA 3.48Å; Y331-K343 WeakPolarHBondContact O-CB 3.38Å; Y331-K343 PolarHBondContact O-N 2.9Å; Y331-K343 VanDerWaalsContact O-O 3.07Å
332	L	28.4	Very low	34.2	Very low	15 Å²	15	65.2 Å²	65.2	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.3	169.4	-111.1	121.2	0	0	0	108.8	V329 F342	V329-L332 HydrophobicContact CG1-CD1 4.36Å; L332-F342 HydrophobicContact CD1-CB 4.41Å; L332-F342 HydrophobicContact CD1-CD1 3.06Å; L332-F342 HydrophobicContact CD1-CE1 3.38Å; L332-F342 HydrophobicContact CD1-CG 3.96Å; L332-F342 HydrophobicContact CD2-CB 4.48Å; L332-F342 HydrophobicContact CD2-CD1 3.52Å; L332-F342 HydrophobicContact CD2-CD2 4.16Å; L332-F342 HydrophobicContact CD2-CE1 3.53Å; L332-F342 HydrophobicContact CD2-CE2 4.19Å; L332-F342 HydrophobicContact CD2-CG 3.78Å; L332-F342 HydrophobicContact CD2-CZ 3.86Å; L332-F342 HydrophobicContact CG-CB 4.22Å; L332-F342 HydrophobicContact CG-CD1 3.49Å; L332-F342 VanDerWaalsContact CG-CD1 3.49Å; L332-F342 HydrophobicContact CG-CE1 3.9Å; L332-F342 HydrophobicContact CG-CG 3.9Å
333	M	23.8	Very low	33.9	Very low	144 Å²	144	67.2 Å²	67.2	71%	0.709	32%	0.319	S	S	*	.			trans	-85	116.3	164.5	-86.1	177.3	38.8	0	0	107.6	P335 P341	M333-P335 WeakPolarHBondContact O-CD 3.49Å; M333-P341 WeakPolarHBondContact O-CD 3.33Å
334	I	25.3	Very low	33.3	Very low	72 Å²	72	67.1 Å²	67.1	37%	0.369	32%	0.318	S	S	.	.			trans	-92.7	99	173.1	-57.4	177.8	0	0	0	107.6	Y101 Y340	Y101-I334 HydrophobicContact CE2-CD1 4.45Å; I334-Y340 HydrophobicContact CB-CD1 4.41Å; I334-Y340 HydrophobicContact CG2-CD1 3.64Å; I334-Y340 HydrophobicContact CG2-CE1 3.48Å; I334-Y340 VanDerWaalsContact CG2-CE1 3.48Å
335	P	25.9	Very low	33.1	Very low	57 Å²	57	70 Å²	70	37%	0.37	33%	0.333	S	S	.	.			trans	-80	122.4	159.4	31.7	-26.8	0	0	0	107.7	M333 K337 P341	M333-P335 WeakPolarHBondContact O-CD 3.49Å; P335-K337 VanDerWaalsContact C-N 3.34Å; P335-K337 PolarHBondContact O-N 3.11Å; P335-P341 HydrophobicContact CG-CG 4.01Å
336	A	24.6	Very low	32.9	Very low	90 Å²	90	71.4 Å²	71.4	74%	0.744	34%	0.34	S	S	*	.	S	Bend	trans	-62.1	93.9	171.1	0	0	0	0	0	109.8
337	K	24.6	Very low	32.7	Very low	187 Å²	187	76.9 Å²	76.9	81%	0.813	37%	0.367	S	S	*	.	S	Bend	trans	153.2	114.6	150	-86.4	163.9	-176.1	-178.9	0	109.1	P335	P335-K337 VanDerWaalsContact C-N 3.34Å; P335-K337 PolarHBondContact O-N 3.11Å
338	R	29.4	Very low	32.3	Very low	227 Å²	227	80.6 Å²	80.6	86%	0.857	38%	0.384	S	S	*	.	S	Bend	trans	38.9	107.8	164.9	-68.5	-179.5	176.8	172.1	-1.4	114.6
339	Y	32.1	Very low	32.2	Very low	150 Å²	150	84.1 Å²	84.1	59%	0.588	40%	0.399	S	S	*	.			trans	87.9	101.6	-173	-56.9	-78.9	0	0	0	113.8	V165 V167 P341	V165-Y339 HydrophobicContact CB-CE1 4.41Å; V167-Y339 HydrophobicContact CG2-CD1 3.99Å; Y339-P341 WeakPolarHBondContact O-CD 3.29Å
340	Y	38	Very low	32	Very low	74 Å²	74	86.9 Å²	86.9	29%	0.29	41%	0.41	S	S	.	.			trans	-90.4	113.9	175.3	-59.8	-69.2	0	0	0	109.6	F97 I334 F342	F97-Y340 HydrophobicContact CZ-CD2 4.41Å; I334-Y340 HydrophobicContact CB-CD1 4.41Å; I334-Y340 HydrophobicContact CG2-CD1 3.64Å; I334-Y340 HydrophobicContact CG2-CE1 3.48Å; I334-Y340 VanDerWaalsContact CG2-CE1 3.48Å; Y340-F342 VanDerWaalsContact O-CD2 3.25Å; Y340-F342 WeakPolarHBondContact O-CD2 3.43Å; Y340-F342 WeakPolarHBondContact O-CE2 3.26Å
341	P	37	Very low	31.8	Very low	7 Å²	7	86.5 Å²	86.5	5%	0.045	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	125	173.7	30.8	-28.8	0	0	0	110.4	V167 M333 P335 Y339	V167-P341 WeakPolarHBondContact O-CA 3.4Å; M333-P341 WeakPolarHBondContact O-CD 3.33Å; P335-P341 HydrophobicContact CG-CG 4.01Å; Y339-P341 WeakPolarHBondContact O-CD 3.29Å
342	F	36.5	Very low	32.2	Very low	7 Å²	7	83.1 Å²	83.1	3%	0.031	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.2	171.6	-61.1	-113	0	0	0	108.4	F97 L100 L166 V167 Y168 S169 L332 Y340	F97-F342 HydrophobicContact CD2-CZ 4.24Å; F97-F342 HydrophobicContact CE2-CE2 4.14Å; F97-F342 AromaticContact CE2-CZ 3.73Å; F97-F342 HydrophobicContact CE2-CZ 3.73Å; L100-F342 HydrophobicContact CB-CE1 4.16Å; L166-F342 HydrophobicContact CD2-CD2 3.6Å; L166-F342 HydrophobicContact CD2-CE1 4.49Å; L166-F342 HydrophobicContact CD2-CE2 3.44Å; L166-F342 VanDerWaalsContact CD2-CE2 3.44Å; L166-F342 HydrophobicContact CD2-CG 4.26Å; L166-F342 HydrophobicContact CD2-CZ 3.96Å; V167-F342 PolarHBondContact O-N 2.94Å; Y168-F342 HydrophobicContact CD1-CB 4.32Å; S169-F342 PolarHBondContact N-O 2.86Å; L332-F342 HydrophobicContact CD1-CB 4.41Å; L332-F342 HydrophobicContact CD1-CD1 3.06Å; L332-F342 HydrophobicContact CD1-CE1 3.38Å; L332-F342 HydrophobicContact CD1-CG 3.96Å; L332-F342 HydrophobicContact CD2-CB 4.48Å; L332-F342 HydrophobicContact CD2-CD1 3.52Å; L332-F342 HydrophobicContact CD2-CD2 4.16Å; L332-F342 HydrophobicContact CD2-CE1 3.53Å; L332-F342 HydrophobicContact CD2-CE2 4.19Å; L332-F342 HydrophobicContact CD2-CG 3.78Å; L332-F342 HydrophobicContact CD2-CZ 3.86Å; L332-F342 HydrophobicContact CG-CB 4.22Å; L332-F342 HydrophobicContact CG-CD1 3.49Å; L332-F342 VanDerWaalsContact CG-CD1 3.49Å; L332-F342 HydrophobicContact CG-CE1 3.9Å; L332-F342 HydrophobicContact CG-CG 3.9Å; Y340-F342 VanDerWaalsContact O-CD2 3.25Å; Y340-F342 WeakPolarHBondContact O-CD2 3.43Å; Y340-F342 WeakPolarHBondContact O-CE2 3.26Å
343	K	37.2	Very low	32.5	Very low	70 Å²	70	87.7 Å²	87.7	30%	0.304	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.5	171.9	-167.7	-176.2	178.5	-177.8	0	108.1	S169 S171 Y331	S169-K343 WeakPolarHBondContact O-CA 3.24Å; S171-K343 WeakPolarHBondContact OG-CE 3.48Å; S171-K343 PolarHBondContact OG-NZ 3.35Å; Y331-K343 PolarHBondContact N-O 2.93Å; Y331-K343 CarbonylContact O-C 3.48Å; Y331-K343 VanDerWaalsContact O-CA 3.32Å; Y331-K343 WeakPolarHBondContact O-CA 3.48Å; Y331-K343 WeakPolarHBondContact O-CB 3.38Å; Y331-K343 PolarHBondContact O-N 2.9Å; Y331-K343 VanDerWaalsContact O-O 3.07Å
344	I	39.2	Very low	33.1	Very low	4 Å²	4	83.6 Å²	83.6	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.3	178.8	-65.8	-177.1	0	0	0	108.3	Y168 S169 F231 V233 C327	Y168-I344 HydrophobicContact CD1-CD1 3.1Å; Y168-I344 HydrophobicContact CD1-CG1 3.98Å; Y168-I344 HydrophobicContact CE1-CD1 3.47Å; Y168-I344 VanDerWaalsContact CE1-CD1 3.47Å; Y168-I344 HydrophobicContact CG-CD1 3.75Å; S169-I344 PolarHBondContact O-N 3.12Å; F231-I344 HydrophobicContact CE2-CD1 3.63Å; F231-I344 HydrophobicContact CE2-CG1 4.45Å; F231-I344 HydrophobicContact CZ-CD1 3.65Å; F231-I344 HydrophobicContact CZ-CG1 3.97Å; F231-I344 HydrophobicContact CZ-CG2 4.15Å; V233-I344 HydrophobicContact CG2-CD1 4.41Å; C327-I344 HydrophobicContact CB-CG2 3.45Å; C327-I344 VanDerWaalsContact CB-CG2 3.45Å
345	M	35.9	Very low	33.7	Very low	64 Å²	64	84.5 Å²	84.5	32%	0.315	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.2	163.5	-73.8	-105.2	-57.3	0	0	108.8	C327 S328 Q330	C327-M345 WeakPolarHBondContact CA-O 3.44Å; S328-M345 PolarHBondContact N-O 3.47Å; S328-M345 PolarHBondContact O-N 3.45Å; Q330-M345 HydrophobicContact CB-CB 4.43Å; Q330-M345 HydrophobicContact CB-CG 3.65Å; Q330-M345 VanDerWaalsContact CD-CE 3.42Å; Q330-M345 VanDerWaalsContact CD-CG 3.41Å; Q330-M345 HydrophobicContact CG-CB 4.3Å; Q330-M345 HydrophobicContact CG-CE 4.41Å; Q330-M345 HydrophobicContact CG-CG 3.67Å; Q330-M345 PolarHBondContact OE1-SD 2.89Å
346	I	39.1	Very low	34.3	Very low	33 Å²	33	86.8 Å²	86.8	17%	0.169	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-100.8	121	174.7	-64.4	179.3	0	0	0	105.3	L170 Q203 V207 V325 A326	L170-I346 HydrophobicContact CD2-CD1 3.31Å; L170-I346 HydrophobicContact CD2-CG1 3.86Å; Q203-I346 HydrophobicContact CB-CG2 4.09Å; V207-I346 HydrophobicContact CB-CD1 4.01Å; V207-I346 HydrophobicContact CG1-CD1 3.59Å; V207-I346 HydrophobicContact CG2-CB 4.41Å; V207-I346 HydrophobicContact CG2-CD1 3.19Å; V207-I346 HydrophobicContact CG2-CG1 4.35Å; V207-I346 HydrophobicContact CG2-CG2 3.94Å; V325-I346 HydrophobicContact CG1-CB 4.42Å; V325-I346 HydrophobicContact CG1-CD1 3.53Å; V325-I346 HydrophobicContact CG1-CG1 3.87Å; V325-I346 HydrophobicContact CG1-CG2 3.75Å; A326-I346 WeakPolarHBondContact O-CG2 3.49Å
347	D	38.3	Very low	35.2	Very low	129 Å²	129	86.5 Å²	86.5	69%	0.69	38%	0.375	S	S	*	.			trans	-68.5	0	-177.5	-65.9	-19.9	0	0	0	112.1	S328	S328-D347 WeakPolarHBondContact CB-OD1 3.34Å; S328-D347 PolarHBondContact OG-OD1 2.95Å

Retrieved 347 of 347 residues in 674.5 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).