A0A096N2M1_PAPAN Loading...

Beta-1-syntrophin

Adapter protein that binds to and probably organizes the subcellular localization of a variety of membrane proteins. May link various receptors to the actin cytoskeleton and the dystrophin glycoprotein complex.

AlphaFold DB , UniProt , Accession A0A096N2M1, Species PAPAN (Papio anubis, Olive baboon), Gene SNTB1, Length 540 aa.

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(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	31.5	Very low	25.4	Very low	203 Å²	203	107.9 Å²	107.9	100%	1	80%	0.804	S	S	*	*				0	115.1	0	-71.8	-172.4	-145.9	0	0	107.7	V3 M490	M1-V3 PolarHBondContact O-N 2.89Å; M1-M490 HydrophobicContact CE-CE 4.38Å
2	A	22.2	Very low	25.4	Very low	112 Å²	112	108.2 Å²	108.2	93%	0.926	81%	0.813	S	S	*	*			trans	-73.6	104.6	-174.9	0	0	0	0	0	110.2
3	V	26.4	Very low	25.5	Very low	131 Å²	131	104.5 Å²	104.5	79%	0.794	80%	0.798	S	S	*	*			trans	-86.1	111.8	167.5	-179.5	0	0	0	0	106	M1 A5	M1-V3 PolarHBondContact O-N 2.89Å; V3-A5 PolarHBondContact O-N 2.98Å
4	A	23.5	Very low	25.7	Very low	98 Å²	98	106.6 Å²	106.6	81%	0.81	80%	0.804	S	S	*	*			trans	-66.5	99.5	172.6	0	0	0	0	0	108.6	A6	A4-A6 PolarHBondContact O-N 3.21Å
5	A	25.5	Very low	26.2	Very low	63 Å²	63	106.7 Å²	106.7	52%	0.521	81%	0.81	S	S	.	*			trans	-66.7	106.9	164.1	0	0	0	0	0	107.8	V3 A7	V3-A5 PolarHBondContact O-N 2.98Å; A5-A7 PolarHBondContact O-N 3.15Å
6	A	26.1	Very low	26.1	Very low	96 Å²	96	104.8 Å²	104.8	79%	0.793	81%	0.808	S	S	*	*			trans	-76	80.7	168.6	0	0	0	0	0	108.6	A4 A8	A4-A6 PolarHBondContact O-N 3.21Å; A6-A8 PolarHBondContact O-N 3.29Å; A6-A8 VanDerWaalsContact O-N 3.14Å
7	A	24.4	Very low	26.4	Very low	84 Å²	84	103.7 Å²	103.7	69%	0.694	81%	0.813	S	S	*	*			trans	-72.6	95	166.4	0	0	0	0	0	108.9	A5 A9	A5-A7 PolarHBondContact O-N 3.15Å; A7-A9 PolarHBondContact O-N 2.93Å; A7-A9 VanDerWaalsContact O-N 3.16Å
8	A	25.8	Very low	26.6	Very low	93 Å²	93	102.3 Å²	102.3	77%	0.769	81%	0.812	S	S	*	*			trans	-80	88.5	168.2	0	0	0	0	0	109.4	A6 A10	A6-A8 PolarHBondContact O-N 3.29Å; A6-A8 VanDerWaalsContact O-N 3.14Å; A8-A10 PolarHBondContact O-N 3.5Å
9	A	23.2	Very low	26.9	Very low	106 Å²	106	101.1 Å²	101.1	88%	0.876	81%	0.813	S	S	*	*			trans	-69.6	108.6	164.3	0	0	0	0	0	108.9	A7	A7-A9 PolarHBondContact O-N 2.93Å; A7-A9 VanDerWaalsContact O-N 3.16Å
10	A	26.8	Very low	27.4	Very low	96 Å²	96	99.7 Å²	99.7	79%	0.793	81%	0.81	S	S	*	*			trans	-117.2	123.8	171.3	0	0	0	0	0	109.3	A8	A8-A10 PolarHBondContact O-N 3.5Å
11	A	24.4	Very low	28.7	Very low	105 Å²	105	104 Å²	104	87%	0.868	81%	0.805	S	S	*	*			trans	-53.4	133.8	-174.4	0	0	0	0	0	113.4	G13	A11-G13 PolarHBondContact O-N 2.76Å
12	A	25.6	Very low	29.9	Very low	111 Å²	111	97.3 Å²	97.3	92%	0.917	78%	0.783	S	S	*	*			trans	-70.1	111.6	168.2	0	0	0	0	0	109.9
13	G	26.7	Very low	32.5	Very low	60 Å²	60	100.6 Å²	100.6	62%	0.619	78%	0.779	S	S	*	*			trans	-97.9	151.1	163.3	0	0	0	0	0	110.4	A11	A11-G13 PolarHBondContact O-N 2.76Å
14	P	28	Very low	35.6	Very low	134 Å²	134	97.8 Å²	97.8	87%	0.87	75%	0.754	S	S	*	*			trans	-71.1	140	-161	29.6	-33.8	0	0	0	112.3	G16	P14-G16 PolarHBondContact O-N 3.35Å; P14-G16 VanDerWaalsContact O-N 3.13Å
15	A	32.3	Very low	38.8	Very low	109 Å²	109	97.2 Å²	97.2	90%	0.901	74%	0.744	S	S	*	*			trans	-67.8	102.4	168.9	0	0	0	0	0	109.8
16	G	25.6	Very low	42	Very low	76 Å²	76	95.2 Å²	95.2	78%	0.784	73%	0.729	S	S	*	*			trans	-91	104.9	164	0	0	0	0	0	109.7	P14	P14-G16 PolarHBondContact O-N 3.35Å; P14-G16 VanDerWaalsContact O-N 3.13Å
17	G	30.5	Very low	45.2	Very low	86 Å²	86	96 Å²	96	89%	0.887	72%	0.719	S	S	*	*			trans	-74	138	171.1	0	0	0	0	0	111.9
18	G	31	Very low	48.5	Very low	78 Å²	78	92.3 Å²	92.3	80%	0.804	69%	0.688	S	S	*	*			trans	148.2	50.4	173.3	0	0	0	0	0	114.2	G20	G18-G20 PolarHBondContact O-N 3.13Å
19	G	31.6	Very low	51.7	Low	80 Å²	80	90.2 Å²	90.2	83%	0.825	66%	0.662	S	S	*	*			trans	-83.2	93.3	-178.6	0	0	0	0	0	112.9	R21	G19-R21 PolarHBondContact O-N 2.93Å
20	G	37.8	Very low	55.1	Low	72 Å²	72	85.2 Å²	85.2	74%	0.742	62%	0.621	S	S	*	*			trans	-62.3	123.4	160.7	0	0	0	0	0	109.9	G18 A22	G18-G20 PolarHBondContact O-N 3.13Å; G20-A22 PolarHBondContact O-N 3.38Å
21	R	53.8	Low	58	Low	191 Å²	191	82.6 Å²	82.6	72%	0.721	59%	0.593	S	S	*	*			trans	-54.5	121.3	-179.7	-75.6	158	166.7	-148.3	10.5	110.4	G19 Q23 E45	G19-R21 PolarHBondContact O-N 2.93Å; R21-Q23 PolarHBondContact O-N 2.9Å; R21-E45 WeakPolarHBondContact CD-OE1 3.44Å; R21-E45 IonicContact CZ-OE1 2.75Å; R21-E45 IonicContact NE-OE1 2.85Å; R21-E45 PolarHBondContact NE-OE1 2.86Å; R21-E45 IonicContact NH1-OE1 2.63Å; R21-E45 PolarHBondContact NH1-OE1 2.98Å; R21-E45 IonicContact NH1-OE2 3.05Å; R21-E45 PolarHBondContact NH1-OE2 3.08Å
22	A	56.5	Low	60.9	Low	63 Å²	63	78.2 Å²	78.2	52%	0.521	56%	0.556	S	S	.	*			trans	-80.6	85.1	-170.7	0	0	0	0	0	111.6	G20 R24	G20-A22 PolarHBondContact O-N 3.38Å; A22-R24 PolarHBondContact O-N 3.41Å
23	Q	77.6	Confident	63.5	Low	180 Å²	180	81.5 Å²	81.5	84%	0.841	54%	0.544	S	S	*	.			trans	-66.1	119.5	152.9	-73.5	-176.3	-20.6	0	0	107.6	R21	R21-Q23 PolarHBondContact O-N 2.9Å
24	R	90.4	Very high	66.1	Low	73 Å²	73	85.8 Å²	85.8	28%	0.275	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	127.4	179.5	-174.3	-178.8	-179.2	142.2	-1.8	109.9	A22 N42 L43 A290 W291	A22-R24 PolarHBondContact O-N 3.41Å; R24-N42 CarbonylContact O-C 3.53Å; R24-N42 WeakPolarHBondContact O-CA 3.48Å; R24-L43 HydrophobicContact CB-CB 4.21Å; R24-L43 HydrophobicContact CB-CD2 4.42Å; R24-L43 PolarHBondContact N-O 2.8Å; R24-L43 PolarHBondContact O-N 2.76Å; R24-A290 PolarHBondContact NH1-O 3.34Å; R24-A290 VanDerWaalsContact NH2-CB 3.3Å; R24-W291 HydrophobicContact CB-CH2 4.31Å; R24-W291 HydrophobicContact CB-CZ3 4.26Å; R24-W291 HydrophobicContact CG-CE3 4.37Å; R24-W291 HydrophobicContact CG-CH2 3.68Å; R24-W291 HydrophobicContact CG-CZ2 4.02Å; R24-W291 HydrophobicContact CG-CZ3 3.87Å
25	S	92.2	Very high	68.9	Low	85 Å²	85	88 Å²	88	59%	0.594	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	148.5	173.7	61	0	0	0	0	111.1	V41 N42	S25-V41 CarbonylContact C-O 3.52Å; S25-V41 VanDerWaalsContact CA-O 3.24Å; S25-V41 WeakPolarHBondContact CA-O 3.38Å; S25-N42 WeakPolarHBondContact CB-OD1 3.1Å
26	G	91.8	Very high	71.6	Confident	21 Å²	21	86.3 Å²	86.3	22%	0.216	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	166.8	174.1	0	0	0	0	0	113.5	V41	G26-V41 PolarHBondContact N-O 3.32Å; G26-V41 PolarHBondContact O-N 2.94Å
27	L	92.4	Very high	74.5	Confident	113 Å²	113	85.4 Å²	85.4	59%	0.592	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.2	178.9	-64.9	170.7	0	0	0	110.5	V39 L40	L27-V39 WeakPolarHBondContact CA-O 3.4Å; L27-L40 HydrophobicContact CD2-CB 4.28Å; L27-L40 HydrophobicContact CD2-CD1 4.23Å
28	L	94.6	Very high	77.3	Confident	6 Å²	6	88.1 Å²	88.1	3%	0.031	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	171.4	171.3	-65.5	178.1	0	0	0	109.4	K38 V39 V41 L280 W291	L28-K38 WeakPolarHBondContact O-CA 3.47Å; L28-V39 PolarHBondContact N-O 3.47Å; L28-V39 PolarHBondContact O-N 2.77Å; L28-V39 VanDerWaalsContact O-O 3.11Å; L28-V41 HydrophobicContact CB-CG2 3.78Å; L28-V41 HydrophobicContact CD1-CB 4.17Å; L28-V41 HydrophobicContact CD1-CG1 4.33Å; L28-V41 HydrophobicContact CD1-CG2 3.88Å; L28-V41 HydrophobicContact CG-CB 4.5Å; L28-V41 HydrophobicContact CG-CG2 4.05Å; L28-L280 HydrophobicContact CD1-CB 4.33Å; L28-L280 HydrophobicContact CD1-CD1 4.16Å; L28-W291 HydrophobicContact CD1-CD2 3.9Å; L28-W291 HydrophobicContact CD1-CE3 4.44Å; L28-W291 HydrophobicContact CD1-CG 4.02Å; L28-W291 HydrophobicContact CD1-CZ2 4.37Å; L28-W291 HydrophobicContact CD2-CG 4.49Å
29	E	93.6	Very high	80.2	Confident	49 Å²	49	84.4 Å²	84.4	23%	0.229	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.1	169	-62	174.1	113.9	0	0	109.4	W36 H37 K38 L280 R281	E29-W36 HydrophobicContact CB-CB 4.36Å; E29-W36 HydrophobicContact CB-CE3 3.79Å; E29-H37 CarbonylContact C-O 3.44Å; E29-H37 VanDerWaalsContact CA-O 3.24Å; E29-H37 WeakPolarHBondContact CA-O 3.44Å; E29-K38 HydrophobicContact CG-CG 4.19Å; E29-L280 CarbonylContact O-C 3.5Å; E29-L280 VanDerWaalsContact O-CA 3.29Å; E29-L280 WeakPolarHBondContact O-CA 3.49Å; E29-R281 HydrophobicContact CB-CB 4.35Å; E29-R281 PolarHBondContact N-O 2.89Å; E29-R281 PolarHBondContact O-N 2.78Å; E29-R281 IonicContact OE1-NH2 3.17Å; E29-R281 PolarHBondContact OE1-NH2 3.35Å; E29-R281 IonicContact OE2-CZ 3.22Å; E29-R281 IonicContact OE2-NE 2.7Å; E29-R281 PolarHBondContact OE2-NE 3.24Å; E29-R281 IonicContact OE2-NH2 3.52Å; E29-R281 PolarHBondContact OE2-NH2 2.96Å
30	V	93.1	Very high	83.1	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.006	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.5	173.4	63.6	0	0	0	0	109.8	V32 H37 V39 L50 I212 V278 I279 L280	V30-V32 HydrophobicContact CG1-CG2 4.11Å; V30-V32 HydrophobicContact CG2-CG2 4.3Å; V30-H37 HydrophobicContact CG1-CB 4.19Å; V30-H37 PolarHBondContact N-O 2.75Å; V30-H37 PolarHBondContact O-N 3.45Å; V30-V39 HydrophobicContact CB-CG2 4.01Å; V30-V39 HydrophobicContact CG1-CB 4.38Å; V30-V39 HydrophobicContact CG1-CG1 3.56Å; V30-V39 HydrophobicContact CG1-CG2 3.85Å; V30-L50 HydrophobicContact CG2-CD1 4.35Å; V30-I212 HydrophobicContact CG2-CD1 3.99Å; V30-V278 HydrophobicContact CG2-CG1 4.03Å; V30-I279 WeakPolarHBondContact CA-O 3.48Å; V30-L280 HydrophobicContact CB-CD2 3.86Å; V30-L280 HydrophobicContact CG2-CD2 3.93Å
31	L	89.2	Confident	85.8	Confident	41 Å²	41	80.4 Å²	80.4	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.7	174.8	-170.2	68.6	0	0	0	110.2	R35 W36 L259 I279	L31-R35 WeakPolarHBondContact CA-O 3.48Å; L31-W36 HydrophobicContact CB-CE3 4.17Å; L31-W36 HydrophobicContact CB-CH2 4.08Å; L31-W36 HydrophobicContact CB-CZ2 4.45Å; L31-W36 HydrophobicContact CB-CZ3 3.91Å; L31-W36 HydrophobicContact CD1-CD2 4.04Å; L31-W36 HydrophobicContact CD1-CE3 4.49Å; L31-W36 HydrophobicContact CD1-CG 4.39Å; L31-W36 HydrophobicContact CD1-CZ2 4.1Å; L31-L259 HydrophobicContact CD2-CD1 3.67Å; L31-I279 HydrophobicContact CB-CB 4.12Å; L31-I279 HydrophobicContact CD2-CD1 4.14Å; L31-I279 PolarHBondContact N-O 2.56Å
32	V	84.6	Confident	87.7	Confident	13 Å²	13	74 Å²	74	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	124.4	175.3	-178.1	0	0	0	0	108.3	V30 D34 R35 E211 I212	V30-V32 HydrophobicContact CG1-CG2 4.11Å; V30-V32 HydrophobicContact CG2-CG2 4.3Å; V32-D34 VanDerWaalsContact C-N 3.27Å; V32-D34 PolarHBondContact O-N 2.81Å; V32-R35 PolarHBondContact N-O 2.94Å; V32-R35 PolarHBondContact O-N 2.89Å; V32-R35 VanDerWaalsContact O-O 3.14Å; V32-E211 HydrophobicContact CG1-CB 4.17Å; V32-I212 HydrophobicContact CG2-CD1 4.41Å; V32-I212 HydrophobicContact CG2-CG1 3.98Å
33	R	80.2	Confident	89.5	Confident	181 Å²	181	71.2 Å²	71.2	68%	0.683	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	48.4	-177.7	-62.8	179.5	173	151.9	7.8	112.8	R35 E211	R33-R35 PolarHBondContact O-N 3.22Å; R33-R35 VanDerWaalsContact O-N 3.12Å; R33-E211 IonicContact CZ-OE1 2.98Å; R33-E211 IonicContact CZ-OE2 3.33Å; R33-E211 IonicContact NE-OE2 3.41Å; R33-E211 PolarHBondContact NE-OE2 2.88Å; R33-E211 IonicContact NH1-OE1 3.27Å; R33-E211 PolarHBondContact NH1-OE1 2.81Å; R33-E211 IonicContact NH1-OE2 3.8Å; R33-E211 PolarHBondContact NH1-OE2 2.82Å; R33-E211 IonicContact NH2-OE1 3.49Å; R33-E211 PolarHBondContact NH2-OE1 2.9Å; R33-E211 IonicContact NH2-OE2 2.72Å; R33-E211 PolarHBondContact NH2-OE2 3.23Å
34	D	81.8	Confident	90.1	Very high	149 Å²	149	64.4 Å²	64.4	80%	0.797	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	19.3	-179.1	-51.9	-44.9	0	0	0	115.2	V32	V32-D34 VanDerWaalsContact C-N 3.27Å; V32-D34 PolarHBondContact O-N 2.81Å
35	R	85.5	Confident	90	Very high	180 Å²	180	65 Å²	65	68%	0.679	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.3	176.2	-64.9	-177	-177.6	-167.9	-0	110.9	L31 V32 R33 H37	L31-R35 WeakPolarHBondContact CA-O 3.48Å; V32-R35 PolarHBondContact N-O 2.94Å; V32-R35 PolarHBondContact O-N 2.89Å; V32-R35 VanDerWaalsContact O-O 3.14Å; R33-R35 PolarHBondContact O-N 3.22Å; R33-R35 VanDerWaalsContact O-N 3.12Å; R35-H37 PolarHBondContact O-CD2 3.39Å; R35-H37 VanDerWaalsContact O-CD2 3.25Å
36	W	89.6	Confident	89.9	Confident	74 Å²	74	65.7 Å²	65.7	28%	0.28	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.4	176.8	-67	97.4	0	0	0	110.2	E29 L31 Q266 I279 R281	E29-W36 HydrophobicContact CB-CB 4.36Å; E29-W36 HydrophobicContact CB-CE3 3.79Å; L31-W36 HydrophobicContact CB-CE3 4.17Å; L31-W36 HydrophobicContact CB-CH2 4.08Å; L31-W36 HydrophobicContact CB-CZ2 4.45Å; L31-W36 HydrophobicContact CB-CZ3 3.91Å; L31-W36 HydrophobicContact CD1-CD2 4.04Å; L31-W36 HydrophobicContact CD1-CE3 4.49Å; L31-W36 HydrophobicContact CD1-CG 4.39Å; L31-W36 HydrophobicContact CD1-CZ2 4.1Å; W36-Q266 HydrophobicContact CH2-CG 4.35Å; W36-I279 HydrophobicContact CH2-CG2 3.99Å; W36-R281 VanDerWaalsContact CD1-NH1 3.32Å; W36-R281 VanDerWaalsContact CD2-CZ 3.48Å; W36-R281 VanDerWaalsContact CE2-NH1 3.29Å; W36-R281 HydrophobicContact CE3-CB 3.82Å; W36-R281 VanDerWaalsContact CG-CZ 3.49Å; W36-R281 VanDerWaalsContact CG-NH2 3.26Å; W36-R281 HydrophobicContact CH2-CB 3.57Å; W36-R281 HydrophobicContact CH2-CG 4.43Å; W36-R281 HydrophobicContact CZ2-CB 4.34Å; W36-R281 HydrophobicContact CZ3-CB 3.28Å; W36-R281 HydrophobicContact CZ3-CG 4.43Å
37	H	86.6	Confident	89.9	Confident	58 Å²	58	65.2 Å²	65.2	27%	0.269	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.8	179.2	-66.3	-86.9	0	0	0	110.1	E29 V30 R35 V39 P208	E29-H37 CarbonylContact C-O 3.44Å; E29-H37 VanDerWaalsContact CA-O 3.24Å; E29-H37 WeakPolarHBondContact CA-O 3.44Å; V30-H37 HydrophobicContact CG1-CB 4.19Å; V30-H37 PolarHBondContact N-O 2.75Å; V30-H37 PolarHBondContact O-N 3.45Å; R35-H37 PolarHBondContact O-CD2 3.39Å; R35-H37 VanDerWaalsContact O-CD2 3.25Å; H37-V39 PolarHBondContact O-N 3.18Å; H37-P208 HydrophobicContact CB-CB 4.21Å; H37-P208 HydrophobicContact CB-CG 4.5Å; H37-P208 WeakPolarHBondContact ND1-CG 3.5Å
38	K	90.5	Very high	89.9	Confident	142 Å²	142	59.8 Å²	59.8	62%	0.617	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.8	174	-69.2	-176.7	-179.6	179.9	0	109.9	L28 E29	L28-K38 WeakPolarHBondContact O-CA 3.47Å; E29-K38 HydrophobicContact CG-CG 4.19Å
39	V	91.6	Very high	89.7	Confident	1 Å²	1	60 Å²	60	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.5	-179.4	-68.3	0	0	0	0	110.3	L27 L28 V30 H37 V41 L50 S51 V209	L27-V39 WeakPolarHBondContact CA-O 3.4Å; L28-V39 PolarHBondContact N-O 3.47Å; L28-V39 PolarHBondContact O-N 2.77Å; L28-V39 VanDerWaalsContact O-O 3.11Å; V30-V39 HydrophobicContact CB-CG2 4.01Å; V30-V39 HydrophobicContact CG1-CB 4.38Å; V30-V39 HydrophobicContact CG1-CG1 3.56Å; V30-V39 HydrophobicContact CG1-CG2 3.85Å; H37-V39 PolarHBondContact O-N 3.18Å; V39-V41 HydrophobicContact CG2-CG2 3.86Å; V39-L50 HydrophobicContact CG2-CD2 4.42Å; V39-S51 CarbonylContact C-O 3.49Å; V39-S51 VanDerWaalsContact CA-O 3.29Å; V39-S51 WeakPolarHBondContact CA-O 3.47Å; V39-S51 WeakPolarHBondContact CB-O 3.35Å; V39-V209 HydrophobicContact CG1-CG2 3.47Å; V39-V209 VanDerWaalsContact CG1-CG2 3.47Å
40	L	91.8	Very high	89.5	Confident	68 Å²	68	57.7 Å²	57.7	36%	0.356	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.2	166.1	-179.6	67.6	0	0	0	108.5	L27 L50 S51	L27-L40 HydrophobicContact CD2-CB 4.28Å; L27-L40 HydrophobicContact CD2-CD1 4.23Å; L40-L50 CarbonylContact O-C 3.55Å; L40-S51 PolarHBondContact N-O 2.87Å; L40-S51 PolarHBondContact O-N 2.85Å
41	V	94.3	Very high	89.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.3	-179.6	-176.7	0	0	0	0	109.2	S25 G26 L28 V39 L48 V49 L50 W291	S25-V41 CarbonylContact C-O 3.52Å; S25-V41 VanDerWaalsContact CA-O 3.24Å; S25-V41 WeakPolarHBondContact CA-O 3.38Å; G26-V41 PolarHBondContact N-O 3.32Å; G26-V41 PolarHBondContact O-N 2.94Å; L28-V41 HydrophobicContact CB-CG2 3.78Å; L28-V41 HydrophobicContact CD1-CB 4.17Å; L28-V41 HydrophobicContact CD1-CG1 4.33Å; L28-V41 HydrophobicContact CD1-CG2 3.88Å; L28-V41 HydrophobicContact CG-CB 4.5Å; L28-V41 HydrophobicContact CG-CG2 4.05Å; V39-V41 HydrophobicContact CG2-CG2 3.86Å; V41-L48 HydrophobicContact CG1-CD1 3.44Å; V41-L48 VanDerWaalsContact CG1-CD1 3.44Å; V41-L48 HydrophobicContact CG1-CD2 4.23Å; V41-L48 HydrophobicContact CG1-CG 3.91Å; V41-V49 CarbonylContact C-O 3.6Å; V41-V49 WeakPolarHBondContact CA-O 3.19Å; V41-L50 HydrophobicContact CB-CD2 4.23Å; V41-L50 HydrophobicContact CG1-CD2 3.97Å; V41-L50 HydrophobicContact CG2-CD2 3.53Å; V41-W291 HydrophobicContact CB-CH2 4.13Å; V41-W291 HydrophobicContact CG1-CH2 3.99Å; V41-W291 HydrophobicContact CG1-CZ3 3.94Å
42	N	93.2	Very high	88.7	Confident	56 Å²	56	58.4 Å²	58.4	30%	0.299	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.5	175.1	-59.8	-69.6	0	0	0	109.4	R24 S25 V49	R24-N42 CarbonylContact O-C 3.53Å; R24-N42 WeakPolarHBondContact O-CA 3.48Å; S25-N42 WeakPolarHBondContact CB-OD1 3.1Å; N42-V49 HydrophobicContact CB-CB 4.24Å; N42-V49 PolarHBondContact N-O 2.79Å; N42-V49 PolarHBondContact O-N 3.28Å
43	L	94.8	Very high	88	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.9	177	177	62.5	0	0	0	109.5	R24 L48 L248 W291 A294 I295 N298	R24-L43 HydrophobicContact CB-CB 4.21Å; R24-L43 HydrophobicContact CB-CD2 4.42Å; R24-L43 PolarHBondContact N-O 2.8Å; R24-L43 PolarHBondContact O-N 2.76Å; L43-L48 HydrophobicContact CB-CD1 4.09Å; L43-L48 HydrophobicContact CD1-CD1 3.99Å; L43-L248 HydrophobicContact CD1-CD1 3.47Å; L43-L248 VanDerWaalsContact CD1-CD1 3.47Å; L43-W291 HydrophobicContact CB-CZ3 4.07Å; L43-A294 HydrophobicContact CD2-CB 3.75Å; L43-I295 HydrophobicContact CD1-CG1 4.13Å; L43-I295 HydrophobicContact CD2-CG1 3.98Å; L43-N298 WeakPolarHBondContact CG-ND2 3.18Å
44	S	91.2	Very high	86.3	Confident	37 Å²	37	61.1 Å²	61.1	26%	0.259	30%	0.297	S	S	.	.			trans	-98.4	180	164.8	69.5	0	0	0	0	110.5	D46 A47 N298	S44-D46 PolarHBondContact O-N 3.04Å; S44-D46 PolarHBondContact OG-OD1 3.5Å; S44-A47 PolarHBondContact N-O 2.85Å; S44-A47 PolarHBondContact OG-N 2.88Å; S44-A47 PolarHBondContact OG-O 2.88Å; S44-N298 PolarHBondContact O-ND2 2.99Å
45	E	87.4	Confident	84.4	Confident	86 Å²	86	57.6 Å²	57.6	40%	0.402	30%	0.296	S	S	.	.	S	Bend	trans	-60	-33.6	177.6	-64.5	-177.2	-172.5	0	0	112.9	R21	R21-E45 WeakPolarHBondContact CD-OE1 3.44Å; R21-E45 IonicContact CZ-OE1 2.75Å; R21-E45 IonicContact NE-OE1 2.85Å; R21-E45 PolarHBondContact NE-OE1 2.86Å; R21-E45 IonicContact NH1-OE1 2.63Å; R21-E45 PolarHBondContact NH1-OE1 2.98Å; R21-E45 IonicContact NH1-OE2 3.05Å; R21-E45 PolarHBondContact NH1-OE2 3.08Å
46	D	89.4	Confident	81.7	Confident	98 Å²	98	52.9 Å²	52.9	52%	0.524	30%	0.296	S	S	.	.	S	Bend	trans	-123.6	-9.5	-168.7	65.5	-23.3	0	0	0	114.7	S44 L248	S44-D46 PolarHBondContact O-N 3.04Å; S44-D46 PolarHBondContact OG-OD1 3.5Å; D46-L248 PolarHBondContact O-N 3.35Å
47	A	91.6	Very high	78.9	Confident	11 Å²	11	54.3 Å²	54.3	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.3	-175.6	0	0	0	0	0	113.1	S44 I246	S44-A47 PolarHBondContact N-O 2.85Å; S44-A47 PolarHBondContact OG-N 2.88Å; S44-A47 PolarHBondContact OG-O 2.88Å; A47-I246 CarbonylContact C-O 3.5Å; A47-I246 VanDerWaalsContact CA-O 3.26Å; A47-I246 WeakPolarHBondContact CA-O 3.37Å
48	L	92.5	Very high	76.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.6	166.7	-170.8	79.3	0	0	0	109.2	V41 L43 L50 I246 L248 I269 L280 I295	V41-L48 HydrophobicContact CG1-CD1 3.44Å; V41-L48 VanDerWaalsContact CG1-CD1 3.44Å; V41-L48 HydrophobicContact CG1-CD2 4.23Å; V41-L48 HydrophobicContact CG1-CG 3.91Å; L43-L48 HydrophobicContact CB-CD1 4.09Å; L43-L48 HydrophobicContact CD1-CD1 3.99Å; L48-L50 HydrophobicContact CD2-CD2 4.15Å; L48-L50 HydrophobicContact CG-CD2 4.43Å; L48-I246 HydrophobicContact CB-CB 4.22Å; L48-I246 HydrophobicContact CD2-CD1 4.46Å; L48-I246 PolarHBondContact N-O 2.96Å; L48-I246 WeakPolarHBondContact O-CB 3.33Å; L48-I246 PolarHBondContact O-N 3.46Å; L48-L248 HydrophobicContact CB-CD2 4.06Å; L48-I269 HydrophobicContact CD2-CD1 3.46Å; L48-I269 VanDerWaalsContact CD2-CD1 3.46Å; L48-L280 HydrophobicContact CD2-CD1 3.87Å; L48-I295 HydrophobicContact CD1-CD1 4.09Å; L48-I295 HydrophobicContact CD1-CG1 4.38Å; L48-I295 HydrophobicContact CD2-CD1 4.38Å
49	V	90.9	Very high	73.2	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.8	-177.1	172.1	0	0	0	0	109.3	V41 N42 R243 K244	V41-V49 CarbonylContact C-O 3.6Å; V41-V49 WeakPolarHBondContact CA-O 3.19Å; N42-V49 HydrophobicContact CB-CB 4.24Å; N42-V49 PolarHBondContact N-O 2.79Å; N42-V49 PolarHBondContact O-N 3.28Å; V49-R243 HydrophobicContact CG1-CG 3.43Å; V49-R243 VanDerWaalsContact CG1-CG 3.43Å; V49-K244 CarbonylContact C-O 3.55Å; V49-K244 VanDerWaalsContact CA-O 3.31Å; V49-K244 WeakPolarHBondContact CA-O 3.36Å
50	L	90.3	Very high	70.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.1	173.7	-51.6	177.7	0	0	0	108.9	V30 V39 L40 V41 L48 V209 I212 R243 K244 I246 V278 L280	V30-L50 HydrophobicContact CG2-CD1 4.35Å; V39-L50 HydrophobicContact CG2-CD2 4.42Å; L40-L50 CarbonylContact O-C 3.55Å; V41-L50 HydrophobicContact CB-CD2 4.23Å; V41-L50 HydrophobicContact CG1-CD2 3.97Å; V41-L50 HydrophobicContact CG2-CD2 3.53Å; L48-L50 HydrophobicContact CD2-CD2 4.15Å; L48-L50 HydrophobicContact CG-CD2 4.43Å; L50-V209 HydrophobicContact CB-CG1 4.04Å; L50-V209 WeakPolarHBondContact O-CG1 3.14Å; L50-I212 HydrophobicContact CD1-CD1 3.54Å; L50-R243 CarbonylContact O-C 3.55Å; L50-R243 WeakPolarHBondContact O-CA 3.39Å; L50-K244 HydrophobicContact CB-CB 4.43Å; L50-K244 PolarHBondContact N-O 3.4Å; L50-K244 PolarHBondContact O-N 2.92Å; L50-I246 HydrophobicContact CD1-CD1 3.81Å; L50-I246 HydrophobicContact CG-CD1 4.21Å; L50-V278 HydrophobicContact CD1-CG1 4.17Å; L50-L280 HydrophobicContact CD2-CD2 4.17Å
51	S	86.8	Confident	67	Low	26 Å²	26	68.1 Å²	68.1	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	174.2	-58.2	0	0	0	0	111.7	V39 L40 D242	V39-S51 CarbonylContact C-O 3.49Å; V39-S51 VanDerWaalsContact CA-O 3.29Å; V39-S51 WeakPolarHBondContact CA-O 3.47Å; V39-S51 WeakPolarHBondContact CB-O 3.35Å; L40-S51 PolarHBondContact N-O 2.87Å; L40-S51 PolarHBondContact O-N 2.85Å; S51-D242 CarbonylContact C-O 3.52Å; S51-D242 WeakPolarHBondContact CA-O 3.41Å
52	S	79.1	Confident	63.8	Low	31 Å²	31	77 Å²	77	22%	0.217	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132	177.8	-172.7	0	0	0	0	110.7	E54 S207 D242	S52-E54 PolarHBondContact O-N 2.87Å; S52-S207 VanDerWaalsContact CB-OG 3.23Å; S52-S207 WeakPolarHBondContact CB-OG 3.29Å; S52-D242 PolarHBondContact N-O 2.8Å
53	E	68.8	Low	60.6	Low	102 Å²	102	77.8 Å²	77.8	48%	0.477	48%	0.484	S	S	.	.			trans	-88.6	100.5	169.3	-171.1	-171.6	178.4	0	0	108.4
54	E	45.5	Very low	57.3	Low	149 Å²	149	84.4 Å²	84.4	70%	0.696	53%	0.525	S	S	*	.			trans	-112.2	91.5	167.2	-156	172.7	-152.6	0	0	108.7	S52	S52-E54 PolarHBondContact O-N 2.87Å
55	G	40.3	Very low	54.2	Low	76 Å²	76	86.6 Å²	86.6	78%	0.784	55%	0.546	S	S	*	.	S	Bend	trans	125.2	61.3	161.2	0	0	0	0	0	118.7
56	A	29.6	Very low	51.2	Low	80 Å²	80	89.1 Å²	89.1	66%	0.661	57%	0.567	S	S	*	*			trans	-137.7	27.7	162.8	0	0	0	0	0	113.9
57	A	30.4	Very low	48.1	Very low	104 Å²	104	92.8 Å²	92.8	86%	0.86	59%	0.586	S	S	*	*			trans	-123.5	67.3	178	0	0	0	0	0	111.5
58	A	29.8	Very low	45	Very low	90 Å²	90	96 Å²	96	74%	0.744	62%	0.621	S	S	*	*	S	Bend	trans	-158.9	52.4	161.8	0	0	0	0	0	111.6
59	Y	27	Very low	41.8	Very low	233 Å²	233	100.6 Å²	100.6	91%	0.914	65%	0.653	S	S	*	*			trans	-153.7	82.4	158.2	-109.6	-83.3	0	0	0	108.6
60	N	30.1	Very low	38.6	Very low	177 Å²	177	110.3 Å²	110.3	95%	0.947	70%	0.695	S	S	*	*			trans	-98.9	121.6	157.4	-101.3	-3.4	0	0	0	106.9
61	G	24.1	Very low	35.5	Very low	60 Å²	60	115.6 Å²	115.6	62%	0.619	73%	0.73	S	S	*	*			trans	154.8	107.5	161.2	0	0	0	0	0	115.7
62	I	27.5	Very low	32.6	Very low	185 Å²	185	126.6 Å²	126.6	95%	0.949	77%	0.768	S	S	*	*			trans	95.4	114.2	150.8	-49.3	162.6	0	0	0	116.1
63	G	26.1	Very low	30	Very low	74 Å²	74	128.5 Å²	128.5	76%	0.763	79%	0.792	S	S	*	*			trans	148.5	71.8	158.9	0	0	0	0	0	116.5
64	T	24.2	Very low	27.9	Very low	143 Å²	143	129.1 Å²	129.1	88%	0.877	82%	0.815	S	S	*	*			trans	-63.4	150.6	164.7	41	0	0	0	0	113.8
65	A	26.3	Very low	27	Very low	84 Å²	84	125.9 Å²	125.9	69%	0.694	82%	0.822	S	S	*	*			trans	123.7	106.5	147	0	0	0	0	0	114.4
66	T	25.8	Very low	26.3	Very low	138 Å²	138	127.7 Å²	127.7	85%	0.847	83%	0.829	S	S	*	*				105.8	122.8	86.7	50.8	0	0	0	0	113.7
67	N	24.6	Very low	26.2	Very low	175 Å²	175	127.7 Å²	127.7	94%	0.936	84%	0.837	S	S	*	*			trans	6.4	141.5	152	-79.5	-10.9	0	0	0	121.8
68	G	25.3	Very low	26	Very low	79 Å²	79	131.7 Å²	131.7	81%	0.814	84%	0.838	S	S	*	*			trans	172.3	93.2	153.2	0	0	0	0	0	115.2
69	S	24.8	Very low	26.7	Very low	97 Å²	97	133 Å²	133	68%	0.678	84%	0.839	S	S	*	*			trans	-64.7	144.6	163.5	178.4	0	0	0	0	111.3
70	F	25.2	Very low	26.7	Very low	214 Å²	214	125.9 Å²	125.9	94%	0.939	84%	0.836	S	S	*	*			trans	-163.9	140.3	141.1	-90.9	-65.4	0	0	0	112.5
71	C	25.3	Very low	26.6	Very low	110 Å²	110	122.8 Å²	122.8	74%	0.743	84%	0.835	S	S	*	*			trans	-93.9	178.7	-177.8	-51.1	0	0	0	0	113.1
72	R	24.9	Very low	26.7	Very low	258 Å²	258	123.9 Å²	123.9	97%	0.974	85%	0.846	S	S	*	*			trans	96.5	135.5	171.6	-69	-178.8	160.6	-174.7	-4.7	114.1
73	G	23.6	Very low	26.6	Very low	70 Å²	70	119 Å²	119	72%	0.722	84%	0.842	S	S	*	*			cis	164	144	2.9	0	0	0	0	0	109.5
74	A	25.3	Very low	26.6	Very low	115 Å²	115	120.7 Å²	120.7	95%	0.95	85%	0.848	S	S	*	*			trans	36.2	132.3	152.7	0	0	0	0	0	122.1
75	G	26.2	Very low	26.9	Very low	82 Å²	82	122.5 Å²	122.5	85%	0.845	85%	0.847	S	S	*	*			trans	168	108.5	154.8	0	0	0	0	0	114.1
76	A	26.8	Very low	27.8	Very low	114 Å²	114	123.4 Å²	123.4	94%	0.942	85%	0.845	S	S	*	*			trans	-81.5	163	-179.7	0	0	0	0	0	113.7
77	G	26.1	Very low	28.4	Very low	80 Å²	80	122 Å²	122	83%	0.825	84%	0.839	S	S	*	*			trans	152.2	100.6	158.8	0	0	0	0	0	116.4
78	H	26.2	Very low	28.5	Very low	188 Å²	188	121.2 Å²	121.2	87%	0.87	84%	0.835	S	S	*	*			trans	-76.6	-173.3	166.1	-110.9	-3.6	0	0	0	111.6
79	P	45	Very low	28.6	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	83%	0.834	S	S	*	*			cis	-135.9	-174.7	-46.3	37.5	-18.9	0	0	0	111.7
80	G	26.5	Very low	29.1	Very low	83 Å²	83	124.1 Å²	124.1	86%	0.856	84%	0.84	S	S	*	*			trans	161.7	129.4	160.7	0	0	0	0	0	116.6
81	A	27.9	Very low	29.3	Very low	112 Å²	112	118.6 Å²	118.6	93%	0.926	83%	0.833	S	S	*	*			trans	-102.6	169.8	-169	0	0	0	0	0	114.4
82	G	26.3	Very low	29.3	Very low	82 Å²	82	116.9 Å²	116.9	85%	0.845	83%	0.834	S	S	*	*			trans	129.1	120.2	157.6	0	0	0	0	0	114.7
83	G	26.7	Very low	29.7	Very low	84 Å²	84	111.2 Å²	111.2	87%	0.866	83%	0.828	S	S	*	*			trans	-104.4	177	-167.4	0	0	0	0	0	117.4
84	A	26.4	Very low	29.8	Very low	109 Å²	109	119.3 Å²	119.3	90%	0.901	84%	0.837	S	S	*	*			trans	-179.9	144.5	151.7	0	0	0	0	0	109.2
85	Q	29	Very low	29.8	Very low	180 Å²	180	120 Å²	120	84%	0.841	83%	0.829	S	S	*	*			trans	-126.3	173.9	174.1	-145.9	-175.2	-57	0	0	106.8
86	P	45.9	Very low	30.1	Very low	103 Å²	103	120.5 Å²	120.5	67%	0.669	83%	0.825	S	S	*	*			cis	-113.6	-159.4	-40.8	8.8	18.8	0	0	0	109.8
87	P	38.7	Very low	30.3	Very low	108 Å²	108	125 Å²	125	70%	0.701	82%	0.824	S	S	*	*			cis	-144.3	176.2	21.6	40.2	-16.6	0	0	0	119.9
88	D	26.7	Very low	30.3	Very low	160 Å²	160	127 Å²	127	86%	0.856	82%	0.821	S	S	*	*			trans	75.5	131	156.4	-65.5	-24.7	0	0	0	122.4
89	S	27.4	Very low	30.4	Very low	113 Å²	113	126 Å²	126	79%	0.79	82%	0.822	S	S	*	*			trans	-77.1	167.1	-172.5	-51.2	0	0	0	0	112.5
90	P	34.1	Very low	29.7	Very low	124 Å²	124	127 Å²	127	81%	0.805	82%	0.82	S	S	*	*				-146.8	157.6	82.2	32.3	-11.6	0	0	0	117.2
91	A	30.3	Very low	30.3	Very low	98 Å²	98	128.6 Å²	128.6	81%	0.81	82%	0.815	S	S	*	*			trans	57.3	85.8	147.2	0	0	0	0	0	119.4
92	G	25.9	Very low	31	Very low	74 Å²	74	128.8 Å²	128.8	76%	0.763	80%	0.797	S	S	*	*			trans	-89.6	113.1	161.2	0	0	0	0	0	112.2	R94	G92-R94 PolarHBondContact O-N 2.86Å
93	V	31.7	Very low	31.8	Very low	139 Å²	139	133.6 Å²	133.6	84%	0.842	80%	0.798	S	S	*	*			trans	-47.2	125.3	160.9	169.2	0	0	0	0	109.9
94	R	26.5	Very low	33.1	Very low	239 Å²	239	131.4 Å²	131.4	90%	0.902	77%	0.767	S	S	*	*			trans	-99.9	114.2	171.2	-80.4	-173.2	166	-175.3	-3.6	110.4	G92	G92-R94 PolarHBondContact O-N 2.86Å
95	T	26.1	Very low	34.4	Very low	130 Å²	130	129.4 Å²	129.4	80%	0.798	75%	0.745	S	S	*	*			trans	-66.4	144.4	167.9	40.6	0	0	0	0	110.9	F97	T95-F97 PolarHBondContact O-N 3.38Å
96	A	32.8	Very low	35.4	Very low	92 Å²	92	128.8 Å²	128.8	76%	0.76	74%	0.742	S	S	*	*	S	Bend	trans	-62.7	123.8	179.6	0	0	0	0	0	111.6
97	F	30.6	Very low	35.8	Very low	208 Å²	208	128 Å²	128	91%	0.912	74%	0.74	S	S	*	*			trans	170.6	102.1	148.5	-100.5	-72.6	0	0	0	108	T95	T95-F97 PolarHBondContact O-N 3.38Å
98	T	26.5	Very low	36.6	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	71%	0.714	S	S	*	*			trans	-178.3	81.7	158.2	20.4	0	0	0	0	109.1	L100	T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 3.5Å
99	D	28.5	Very low	37.9	Very low	166 Å²	166	119.1 Å²	119.1	89%	0.888	69%	0.689	S	S	*	*			trans	-87.4	79.8	162.6	-84.7	-22.6	0	0	0	108.6
100	L	29.7	Very low	39.3	Very low	138 Å²	138	118.3 Å²	118.3	72%	0.723	68%	0.676	S	S	*	*			trans	-84.5	139.8	155.3	-76.4	158.5	0	0	0	107	T98 E102	T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 3.5Å; L100-E102 PolarHBondContact O-N 3.27Å
101	P	38.3	Very low	41.1	Very low	118 Å²	118	118.2 Å²	118.2	77%	0.766	67%	0.665	S	S	*	*			trans	-60.1	118.5	169.4	24.4	-29.8	0	0	0	107.9	Q103	P101-Q103 PolarHBondContact O-N 3.3Å
102	E	42.4	Very low	43.5	Very low	116 Å²	116	119.5 Å²	119.5	54%	0.542	65%	0.652	S	S	.	*			trans	-44.1	101.4	-175.3	-148.4	176.4	-176.8	0	0	110.6	L100 V104	L100-E102 PolarHBondContact O-N 3.27Å; E102-V104 PolarHBondContact O-N 2.82Å
103	Q	44.3	Very low	46.4	Very low	183 Å²	183	118 Å²	118	86%	0.855	62%	0.623	S	S	*	*			trans	-67.1	106.1	175.5	-86.3	177.2	-24.9	0	0	107.6	P101 P105	P101-Q103 PolarHBondContact O-N 3.3Å; Q103-P105 VanDerWaalsContact O-CD 3.25Å; Q103-P105 WeakPolarHBondContact O-CD 3.39Å; Q103-P105 VanDerWaalsContact O-N 3.13Å
104	V	54.2	Low	49	Very low	38 Å²	38	114.6 Å²	114.6	23%	0.23	62%	0.616	C	S	.	*			trans	-46.8	114.7	171.1	-179.5	0	0	0	0	108.6	E102 E106 I108 Y157 Y195	E102-V104 PolarHBondContact O-N 2.82Å; V104-E106 PolarHBondContact O-N 2.86Å; V104-I108 HydrophobicContact CB-CD1 4.48Å; V104-I108 HydrophobicContact CG1-CD1 3.34Å; V104-I108 HydrophobicContact CG1-CG1 3.68Å; V104-Y157 HydrophobicContact CG2-CD1 3.69Å; V104-Y157 HydrophobicContact CG2-CE1 4.16Å; V104-Y157 HydrophobicContact CG2-CG 4.04Å; V104-Y195 HydrophobicContact CG1-CD1 4.27Å; V104-Y195 HydrophobicContact CG1-CD2 4.47Å; V104-Y195 HydrophobicContact CG1-CE1 4.22Å; V104-Y195 HydrophobicContact CG1-CE2 4.43Å; V104-Y195 HydrophobicContact CG1-CG 4.39Å; V104-Y195 HydrophobicContact CG2-CE2 4.23Å
105	P	53.6	Low	51.9	Low	67 Å²	67	103.6 Å²	103.6	44%	0.435	58%	0.576	S	S	.	*			trans	-55.7	138	-179.2	-28.7	35.8	0	0	0	112.2	Q103 S107 I108	Q103-P105 VanDerWaalsContact O-CD 3.25Å; Q103-P105 WeakPolarHBondContact O-CD 3.39Å; Q103-P105 VanDerWaalsContact O-N 3.13Å; P105-S107 PolarHBondContact O-N 3.17Å; P105-I108 HydrophobicContact CB-CG1 4.44Å; P105-I108 WeakPolarHBondContact O-CG1 3.45Å; P105-I108 PolarHBondContact O-N 2.85Å; P105-I108 VanDerWaalsContact O-N 3.11Å
106	E	49.5	Very low	54.9	Low	166 Å²	166	102.7 Å²	102.7	78%	0.776	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-59.3	-20.9	-178.2	-68.1	-171.5	142.9	0	0	113.3	V104 I108 S109	V104-E106 PolarHBondContact O-N 2.86Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 2.9Å; E106-S109 PolarHBondContact O-N 2.8Å; E106-S109 PolarHBondContact O-OG 3.06Å
107	S	53.8	Low	57.5	Low	88 Å²	88	98.3 Å²	98.3	62%	0.615	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.8	177.5	48.9	0	0	0	0	115.5	P105	P105-S107 PolarHBondContact O-N 3.17Å
108	I	55.8	Low	60.1	Low	34 Å²	34	93.2 Å²	93.2	17%	0.174	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-105.7	-0.7	179.5	52.3	164	0	0	0	114	V104 P105 E106 N110 Y157	V104-I108 HydrophobicContact CB-CD1 4.48Å; V104-I108 HydrophobicContact CG1-CD1 3.34Å; V104-I108 HydrophobicContact CG1-CG1 3.68Å; P105-I108 HydrophobicContact CB-CG1 4.44Å; P105-I108 WeakPolarHBondContact O-CG1 3.45Å; P105-I108 PolarHBondContact O-N 2.85Å; P105-I108 VanDerWaalsContact O-N 3.11Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 2.9Å; I108-N110 PolarHBondContact O-N 3.34Å; I108-Y157 HydrophobicContact CD1-CE2 4.09Å
109	S	54	Low	62.8	Low	46 Å²	46	89.2 Å²	89.2	32%	0.322	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	132.8	176.1	78.5	0	0	0	0	110.6	E106 Q111	E106-S109 PolarHBondContact O-N 2.8Å; E106-S109 PolarHBondContact O-OG 3.06Å; S109-Q111 PolarHBondContact O-N 2.9Å; S109-Q111 VanDerWaalsContact O-N 3.14Å
110	N	57.2	Low	65.2	Low	96 Å²	96	84.1 Å²	84.1	51%	0.513	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	0.2	180	-67.4	-40.3	0	0	0	118.7	I108 K194	I108-N110 PolarHBondContact O-N 3.34Å; N110-K194 VanDerWaalsContact O-CE 3.31Å; N110-K194 WeakPolarHBondContact O-CE 3.42Å; N110-K194 WeakPolarHBondContact OD1-CE 3.44Å
111	Q	71.1	Confident	66.9	Low	123 Å²	123	86.5 Å²	86.5	58%	0.575	46%	0.456	S	S	*	.			trans	-86.1	143.7	171.1	-63.9	-168.6	6.1	0	0	111.4	S109	S109-Q111 PolarHBondContact O-N 2.9Å; S109-Q111 VanDerWaalsContact O-N 3.14Å
112	K	81.4	Confident	67.9	Low	124 Å²	124	88.2 Å²	88.2	54%	0.539	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.2	172.4	-62.5	-168.7	171.3	-165.4	0	109.5	L163 E192 V193	K112-L163 HydrophobicContact CD-CD1 3.95Å; K112-L163 HydrophobicContact CG-CD1 3.94Å; K112-E192 WeakPolarHBondContact CD-OE1 3.24Å; K112-E192 IonicContact NZ-OE1 3.95Å; K112-E192 PolarHBondContact NZ-OE1 2.88Å; K112-V193 CarbonylContact C-O 3.54Å; K112-V193 WeakPolarHBondContact CA-O 3.36Å
113	R	87.3	Confident	68.8	Low	43 Å²	43	85.2 Å²	85.2	16%	0.162	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.1	-178.4	-61.4	-177.8	-66.9	159	2.9	109.7	V115 A155 Y157 D160 E192 V193	R113-V115 HydrophobicContact CB-CG2 4.5Å; R113-A155 PolarHBondContact NH1-O 3.03Å; R113-Y157 VanDerWaalsContact NH1-CE2 3.25Å; R113-D160 IonicContact CZ-OD1 3.85Å; R113-D160 IonicContact NH2-OD1 3.2Å; R113-D160 PolarHBondContact NH2-OD1 2.96Å; R113-D160 IonicContact NH2-OD2 2.62Å; R113-D160 PolarHBondContact NH2-OD2 2.9Å; R113-E192 CarbonylContact O-C 3.47Å; R113-E192 WeakPolarHBondContact O-CA 3.39Å; R113-V193 HydrophobicContact CB-CG2 4.05Å; R113-V193 PolarHBondContact N-O 2.88Å; R113-V193 PolarHBondContact O-N 2.96Å
114	G	85.7	Confident	70.5	Confident	67 Å²	67	77.9 Å²	77.9	69%	0.691	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.8	169.6	0	0	0	0	0	109.7	L191	G114-L191 CarbonylContact C-O 3.54Å; G114-L191 WeakPolarHBondContact CA-O 3.33Å
115	V	88.2	Confident	71.9	Confident	8 Å²	8	76.9 Å²	76.9	5%	0.048	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.8	-179.6	-176.8	0	0	0	0	109.3	R113 V117 A155 L156 L191 V193	R113-V115 HydrophobicContact CB-CG2 4.5Å; V115-V117 HydrophobicContact CG1-CG2 3.98Å; V115-A155 HydrophobicContact CB-CB 4.44Å; V115-A155 HydrophobicContact CG1-CB 3.63Å; V115-A155 HydrophobicContact CG2-CB 3.95Å; V115-L156 HydrophobicContact CB-CD2 4.05Å; V115-L156 HydrophobicContact CG1-CD2 4.05Å; V115-L156 HydrophobicContact CG1-CG 4.03Å; V115-L156 HydrophobicContact CG2-CD2 4.03Å; V115-L191 PolarHBondContact N-O 2.7Å; V115-L191 PolarHBondContact O-N 3.21Å; V115-V193 HydrophobicContact CG2-CG2 4.01Å
116	K	88.4	Confident	73.3	Confident	111 Å²	111	74.1 Å²	74.1	48%	0.483	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	175.1	176.9	171.2	163.5	155.5	0	109.4	E188 L190	K116-E188 HydrophobicContact CD-CG 4.27Å; K116-E188 VanDerWaalsContact CD-OE1 3.31Å; K116-E188 WeakPolarHBondContact CD-OE1 3.23Å; K116-E188 WeakPolarHBondContact CE-OE1 3.08Å; K116-E188 WeakPolarHBondContact CE-OE2 3.45Å; K116-E188 HydrophobicContact CG-CG 4.16Å; K116-E188 IonicContact NZ-OE1 2.78Å; K116-E188 PolarHBondContact NZ-OE1 2.75Å; K116-E188 IonicContact NZ-OE2 2.92Å; K116-E188 PolarHBondContact NZ-OE2 2.9Å; K116-L190 HydrophobicContact CB-CD1 4.21Å
117	V	87.4	Confident	75.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.6	177.7	-168.1	0	0	0	0	109.7	V115 L125 A149 T153 L156 V189 L191	V115-V117 HydrophobicContact CG1-CG2 3.98Å; V117-L125 HydrophobicContact CB-CD1 3.65Å; V117-L125 HydrophobicContact CG1-CD1 3.39Å; V117-L125 HydrophobicContact CG2-CD1 4.18Å; V117-A149 HydrophobicContact CG1-CB 3.86Å; V117-T153 HydrophobicContact CB-CG2 4.2Å; V117-T153 HydrophobicContact CG1-CG2 3.93Å; V117-T153 HydrophobicContact CG2-CG2 3.92Å; V117-L156 HydrophobicContact CG2-CD1 4.01Å; V117-V189 PolarHBondContact N-O 3.21Å; V117-V189 PolarHBondContact O-N 2.64Å; V117-L191 HydrophobicContact CG2-CD1 4.14Å
118	L	84.9	Confident	76.6	Confident	101 Å²	101	65.5 Å²	65.5	53%	0.529	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.2	174	-77.2	156.7	0	0	0	109	A149 K187 E188	L118-A149 VanDerWaalsContact O-CB 3.24Å; L118-A149 WeakPolarHBondContact O-CB 3.41Å; L118-K187 WeakPolarHBondContact CA-O 3.5Å; L118-E188 HydrophobicContact CD2-CB 4.46Å
119	K	82.8	Confident	78	Confident	41 Å²	41	64.8 Å²	64.8	18%	0.178	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-65.7	137.9	178	-65.8	-169.9	-175.8	-179.5	0	110.5	L182 K183 A185 G186 K187 V189	K119-L182 WeakPolarHBondContact CE-O 3.43Å; K119-L182 PolarHBondContact NZ-O 3.25Å; K119-K183 PolarHBondContact NZ-O 3.4Å; K119-A185 VanDerWaalsContact CE-O 3.24Å; K119-A185 WeakPolarHBondContact CE-O 3.41Å; K119-A185 PolarHBondContact NZ-O 2.89Å; K119-G186 VanDerWaalsContact CD-O 3.29Å; K119-G186 WeakPolarHBondContact CD-O 3.14Å; K119-G186 WeakPolarHBondContact CE-O 3.33Å; K119-K187 PolarHBondContact N-O 3.08Å; K119-V189 HydrophobicContact CD-CG2 4.11Å; K119-V189 HydrophobicContact CG-CG2 3.84Å
120	Q	78.7	Confident	79.4	Confident	59 Å²	59	67.6 Å²	67.6	28%	0.276	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-84.5	144.8	170.8	-69.8	169.9	-0.4	0	0	110.2	L122 G124 A149	Q120-L122 WeakPolarHBondContact CB-O 3.34Å; Q120-L122 PolarHBondContact O-N 2.82Å; Q120-G124 PolarHBondContact O-N 3.42Å; Q120-A149 HydrophobicContact CG-CB 4.27Å
121	E	65.6	Low	80.6	Confident	187 Å²	187	63.3 Å²	63.3	87%	0.874	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.4	177.7	-67.7	-171.3	173.4	0	0	112
122	L	58.8	Low	81.2	Confident	155 Å²	155	57.5 Å²	57.5	81%	0.812	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	114.9	172.8	-69.7	160	0	0	0	108.6	Q120	Q120-L122 WeakPolarHBondContact CB-O 3.34Å; Q120-L122 PolarHBondContact O-N 2.82Å
123	G	62.7	Low	81.2	Confident	52 Å²	52	57.9 Å²	57.9	54%	0.536	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	-7.4	173.3	0	0	0	0	0	116.9
124	G	80.3	Confident	80.9	Confident	29 Å²	29	60.4 Å²	60.4	30%	0.299	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	65.1	-142.5	171.8	0	0	0	0	0	114.1	Q120 A149	Q120-G124 PolarHBondContact O-N 3.42Å; G124-A149 WeakPolarHBondContact O-CB 3.5Å
125	L	82.5	Confident	80.4	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.7	-176.2	-172.7	63.6	0	0	0	113.1	V117 I127 A150 L182 V189	V117-L125 HydrophobicContact CB-CD1 3.65Å; V117-L125 HydrophobicContact CG1-CD1 3.39Å; V117-L125 HydrophobicContact CG2-CD1 4.18Å; L125-I127 HydrophobicContact CD2-CD1 3.52Å; L125-I127 HydrophobicContact CD2-CG1 3.78Å; L125-I127 HydrophobicContact CG-CD1 4.19Å; L125-I127 HydrophobicContact CG-CG1 4.06Å; L125-A150 WeakPolarHBondContact O-CB 3.36Å; L125-A150 PolarHBondContact O-N 3.14Å; L125-L182 HydrophobicContact CD2-CD2 3.83Å; L125-V189 HydrophobicContact CD1-CG2 4.42Å
126	G	84.1	Confident	79.8	Confident	8 Å²	8	71 Å²	71	8%	0.082	37%	0.365	C	S	.	.			trans	76.9	25.7	176.6	0	0	0	0	0	116.4	F145	G126-F145 WeakPolarHBondContact O-CD2 3.37Å; G126-F145 PolarHBondContact O-N 3.4Å
127	I	86.9	Confident	79.4	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.138	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.8	172.6	64.3	178	0	0	0	111.4	L125 I129 I141 K143 I144 A150 L156 I162	L125-I127 HydrophobicContact CD2-CD1 3.52Å; L125-I127 HydrophobicContact CD2-CG1 3.78Å; L125-I127 HydrophobicContact CG-CD1 4.19Å; L125-I127 HydrophobicContact CG-CG1 4.06Å; I127-I129 HydrophobicContact CD1-CG2 4.19Å; I127-I129 HydrophobicContact CG1-CG2 4.47Å; I127-I141 HydrophobicContact CB-CG2 4.35Å; I127-I141 HydrophobicContact CD1-CD1 4.32Å; I127-I141 HydrophobicContact CD1-CG1 4.42Å; I127-I141 HydrophobicContact CG2-CG2 4.44Å; I127-K143 CarbonylContact C-O 3.56Å; I127-K143 WeakPolarHBondContact CA-O 3.16Å; I127-I144 HydrophobicContact CG2-CG1 4.26Å; I127-A150 HydrophobicContact CG2-CB 3.29Å; I127-L156 HydrophobicContact CG2-CD1 4.3Å; I127-I162 HydrophobicContact CD1-CD1 4.12Å
128	S	84.1	Confident	79.2	Confident	46 Å²	46	70.7 Å²	70.7	32%	0.322	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.5	168.5	-174.9	0	0	0	0	109.3	S142 K143	S128-S142 WeakPolarHBondContact CB-OG 3.42Å; S128-S142 PolarHBondContact O-N 3.21Å; S128-S142 PolarHBondContact O-OG 2.9Å; S128-S142 PolarHBondContact OG-OG 2.85Å; S128-K143 PolarHBondContact N-O 2.8Å; S128-K143 PolarHBondContact O-N 3.41Å
129	I	86.8	Confident	79.3	Confident	20 Å²	20	66 Å²	66	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.4	-179.6	59.3	162.9	0	0	0	112.1	I127 I139 L140 I162 A178 V179 L182	I127-I129 HydrophobicContact CD1-CG2 4.19Å; I127-I129 HydrophobicContact CG1-CG2 4.47Å; I129-I139 HydrophobicContact CB-CG2 4.13Å; I129-I139 HydrophobicContact CD1-CG2 3.83Å; I129-I139 HydrophobicContact CG2-CG2 4.31Å; I129-L140 CarbonylContact C-O 3.57Å; I129-L140 WeakPolarHBondContact CA-O 3.26Å; I129-I162 HydrophobicContact CG2-CD1 3.83Å; I129-A178 HydrophobicContact CD1-CB 4.04Å; I129-V179 HydrophobicContact CD1-CG2 3.8Å; I129-V179 HydrophobicContact CG1-CG2 4.3Å; I129-L182 HydrophobicContact CD1-CD1 3.88Å; I129-L182 HydrophobicContact CG2-CD1 4.17Å
130	K	82	Confident	79.6	Confident	105 Å²	105	64.2 Å²	64.2	46%	0.457	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	165.5	171.3	-76.3	-176.7	179.9	179.4	0	109.4	L140	K130-L140 PolarHBondContact N-O 3.44Å; K130-L140 PolarHBondContact O-N 3.06Å
131	G	83.9	Confident	80.1	Confident	6 Å²	6	61.4 Å²	61.4	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89	-178.8	-179	0	0	0	0	0	112.5	H175	G131-H175 WeakPolarHBondContact O-CB 3.16Å; G131-H175 PolarHBondContact O-ND1 2.93Å
132	G	82	Confident	80.7	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.5	154.4	-170.5	0	0	0	0	0	110.2	E134 N135 K136 M137	G132-E134 VanDerWaalsContact C-OE2 3.31Å; G132-E134 WeakPolarHBondContact CA-OE1 3.29Å; G132-E134 WeakPolarHBondContact CA-OE2 3.49Å; G132-E134 PolarHBondContact O-N 2.73Å; G132-E134 VanDerWaalsContact O-N 3.16Å; G132-N135 CarbonylContact O-C 3.51Å; G132-N135 WeakPolarHBondContact O-CA 3.38Å; G132-N135 PolarHBondContact O-N 3.02Å; G132-K136 PolarHBondContact O-N 3.4Å; G132-M137 CarbonylContact C-O 3.53Å; G132-M137 WeakPolarHBondContact CA-O 3.26Å; G132-M137 PolarHBondContact N-O 3.28Å; G132-M137 PolarHBondContact O-N 3.16Å
133	K	82.5	Confident	81.8	Confident	132 Å²	132	51.6 Å²	51.6	57%	0.574	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-53	-36	179.1	178.9	170.6	174.7	176.2	0	112.7	N135 K136 D172 A173	K133-N135 PolarHBondContact O-N 2.91Å; K133-K136 PolarHBondContact O-N 2.72Å; K133-K136 VanDerWaalsContact O-N 3.11Å; K133-D172 HydrophobicContact CD-CB 4.4Å; K133-D172 WeakPolarHBondContact CD-O 3.5Å; K133-A173 PolarHBondContact N-O 3.28Å
134	E	81.1	Confident	82.8	Confident	96 Å²	96	50.5 Å²	50.5	45%	0.449	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25.9	177.2	72.8	-67.7	158.7	0	0	113.4	G132 T174 H175	G132-E134 VanDerWaalsContact C-OE2 3.31Å; G132-E134 WeakPolarHBondContact CA-OE1 3.29Å; G132-E134 WeakPolarHBondContact CA-OE2 3.49Å; G132-E134 PolarHBondContact O-N 2.73Å; G132-E134 VanDerWaalsContact O-N 3.16Å; E134-T174 WeakPolarHBondContact OE2-CA 3.33Å; E134-T174 WeakPolarHBondContact OE2-CB 3.42Å; E134-H175 WeakPolarHBondContact OE1-CB 3.35Å; E134-H175 PolarHBondContact OE1-N 2.99Å; E134-H175 PolarHBondContact OE2-N 3.1Å; E134-H175 VanDerWaalsContact OE2-N 3.1Å
135	N	75	Confident	82.9	Confident	92 Å²	92	53.4 Å²	53.4	49%	0.492	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-100.3	7.7	178.9	-70.6	-59.5	0	0	0	113.1	G132 K133 M137	G132-N135 CarbonylContact O-C 3.51Å; G132-N135 WeakPolarHBondContact O-CA 3.38Å; G132-N135 PolarHBondContact O-N 3.02Å; K133-N135 PolarHBondContact O-N 2.91Å; N135-M137 HydrophobicContact CB-CE 3.91Å; N135-M137 PolarHBondContact O-N 2.81Å; N135-M137 VanDerWaalsContact O-N 3.15Å
136	K	75.6	Confident	82.8	Confident	205 Å²	205	61.3 Å²	61.3	89%	0.891	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	30.5	-173.3	-56.6	-176.8	-179.4	-177.8	0	113.3	G132 K133	G132-K136 PolarHBondContact O-N 3.4Å; K133-K136 PolarHBondContact O-N 2.72Å; K133-K136 VanDerWaalsContact O-N 3.11Å
137	M	79	Confident	82.5	Confident	57 Å²	57	63 Å²	63	28%	0.281	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141	-178.8	-72.7	-171.9	-70.8	0	0	110.2	G132 N135 Y202	G132-M137 CarbonylContact C-O 3.53Å; G132-M137 WeakPolarHBondContact CA-O 3.26Å; G132-M137 PolarHBondContact N-O 3.28Å; G132-M137 PolarHBondContact O-N 3.16Å; N135-M137 HydrophobicContact CB-CE 3.91Å; N135-M137 PolarHBondContact O-N 2.81Å; N135-M137 VanDerWaalsContact O-N 3.15Å; M137-Y202 HydrophobicContact SD-CD1 3.6Å; M137-Y202 VanDerWaalsContact SD-CD1 3.6Å; M137-Y202 HydrophobicContact SD-CD2 4.46Å; M137-Y202 HydrophobicContact SD-CE1 4.22Å; M137-Y202 HydrophobicContact SD-CG 3.74Å
138	P	83.8	Confident	82.5	Confident	47 Å²	47	63.9 Å²	63.9	31%	0.305	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	161.6	173.2	28.7	-33.9	0	0	0	111.1	L140 A161 M196	P138-L140 HydrophobicContact CG-CD1 4.4Å; P138-L140 HydrophobicContact CG-CD2 4.44Å; P138-L140 HydrophobicContact CG-CG 4.29Å; P138-L140 WeakPolarHBondContact O-CG 3.31Å; P138-L140 PolarHBondContact O-N 3.38Å; P138-A161 HydrophobicContact CB-CB 4.49Å; P138-M196 HydrophobicContact CG-CE 4.34Å; P138-M196 HydrophobicContact CG-SD 3.84Å
139	I	88.3	Confident	82.5	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	113.4	175.4	-54.5	-62.6	0	0	0	109.3	I129 A161 I162 A178	I129-I139 HydrophobicContact CB-CG2 4.13Å; I129-I139 HydrophobicContact CD1-CG2 3.83Å; I129-I139 HydrophobicContact CG2-CG2 4.31Å; I139-A161 CarbonylContact O-C 3.55Å; I139-A161 VanDerWaalsContact O-CA 3.3Å; I139-A161 WeakPolarHBondContact O-CA 3.39Å; I139-I162 HydrophobicContact CG2-CB 4.35Å; I139-I162 HydrophobicContact CG2-CD1 4.26Å; I139-I162 PolarHBondContact O-N 2.9Å; I139-A178 HydrophobicContact CB-CB 4.44Å; I139-A178 HydrophobicContact CD1-CB 3.53Å; I139-A178 HydrophobicContact CG1-CB 3.66Å; I139-A178 HydrophobicContact CG2-CB 3.98Å
140	L	87.6	Confident	82.4	Confident	5 Å²	5	61 Å²	61	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.7	-173.4	-67.9	158.4	0	0	0	111.9	I129 K130 P138 S142 D160 A161 A199	I129-L140 CarbonylContact C-O 3.57Å; I129-L140 WeakPolarHBondContact CA-O 3.26Å; K130-L140 PolarHBondContact N-O 3.44Å; K130-L140 PolarHBondContact O-N 3.06Å; P138-L140 HydrophobicContact CG-CD1 4.4Å; P138-L140 HydrophobicContact CG-CD2 4.44Å; P138-L140 HydrophobicContact CG-CG 4.29Å; P138-L140 WeakPolarHBondContact O-CG 3.31Å; P138-L140 PolarHBondContact O-N 3.38Å; L140-S142 PolarHBondContact O-N 3.19Å; L140-D160 CarbonylContact C-O 3.58Å; L140-D160 WeakPolarHBondContact CA-O 3.47Å; L140-A161 HydrophobicContact CD2-CB 3.78Å; L140-A199 HydrophobicContact CD1-CB 3.74Å; L140-A199 HydrophobicContact CD2-CB 3.6Å; L140-A199 HydrophobicContact CG-CB 4.34Å
141	I	88.8	Confident	82.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.6	170.7	-57.8	-177.4	0	0	0	109	I127 I144 L156 G159 D160 I162	I127-I141 HydrophobicContact CB-CG2 4.35Å; I127-I141 HydrophobicContact CD1-CD1 4.32Å; I127-I141 HydrophobicContact CD1-CG1 4.42Å; I127-I141 HydrophobicContact CG2-CG2 4.44Å; I141-I144 HydrophobicContact CG2-CD1 4.32Å; I141-I144 HydrophobicContact CG2-CG1 3.76Å; I141-L156 HydrophobicContact CD1-CB 4.3Å; I141-L156 HydrophobicContact CD1-CD1 4.37Å; I141-L156 HydrophobicContact CD1-CD2 4.07Å; I141-L156 HydrophobicContact CD1-CG 4.48Å; I141-G159 PolarHBondContact O-N 3.4Å; I141-D160 HydrophobicContact CD1-CB 4.01Å; I141-D160 HydrophobicContact CG1-CB 4.32Å; I141-D160 PolarHBondContact N-O 2.76Å; I141-I162 HydrophobicContact CD1-CG1 4.46Å; I141-I162 HydrophobicContact CG1-CD1 4.1Å; I141-I162 HydrophobicContact CG1-CG1 4.11Å
142	S	79.9	Confident	82.5	Confident	19 Å²	19	63.5 Å²	63.5	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-28.2	-179.3	69.6	0	0	0	0	114.1	S128 L140 V158 V203	S128-S142 WeakPolarHBondContact CB-OG 3.42Å; S128-S142 PolarHBondContact O-N 3.21Å; S128-S142 PolarHBondContact O-OG 2.9Å; S128-S142 PolarHBondContact OG-OG 2.85Å; L140-S142 PolarHBondContact O-N 3.19Å; S142-V158 WeakPolarHBondContact O-CG1 3.35Å; S142-V203 WeakPolarHBondContact O-CG1 3.21Å
143	K	80.9	Confident	82.5	Confident	116 Å²	116	65.5 Å²	65.5	50%	0.504	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	142.5	179	-171.3	172.9	-179.4	175.5	0	110.1	I127 S128 F145	I127-K143 CarbonylContact C-O 3.56Å; I127-K143 WeakPolarHBondContact CA-O 3.16Å; S128-K143 PolarHBondContact N-O 2.8Å; S128-K143 PolarHBondContact O-N 3.41Å; K143-F145 HydrophobicContact CD-CE1 4.32Å; K143-F145 HydrophobicContact CD-CZ 4.39Å
144	I	84	Confident	82.4	Confident	29 Å²	29	64 Å²	64	15%	0.149	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131	168.8	-57.9	175.8	0	0	0	107	I127 I141 A150 D151 L156 V158	I127-I144 HydrophobicContact CG2-CG1 4.26Å; I141-I144 HydrophobicContact CG2-CD1 4.32Å; I141-I144 HydrophobicContact CG2-CG1 3.76Å; I144-A150 HydrophobicContact CG2-CB 4.2Å; I144-D151 HydrophobicContact CG2-CB 3.95Å; I144-L156 HydrophobicContact CD1-CB 3.87Å; I144-L156 WeakPolarHBondContact CD1-O 3.47Å; I144-V158 HydrophobicContact CD1-CG2 4.48Å; I144-V158 HydrophobicContact CG1-CG2 4.22Å
145	F	81.6	Confident	82.5	Confident	90 Å²	90	60.9 Å²	60.9	40%	0.395	31%	0.31	S	S	.	.			trans	-90.2	121.5	-178.7	-70.9	-84.4	0	0	0	110.1	G126 K143 L148 D151	G126-F145 WeakPolarHBondContact O-CD2 3.37Å; G126-F145 PolarHBondContact O-N 3.4Å; K143-F145 HydrophobicContact CD-CE1 4.32Å; K143-F145 HydrophobicContact CD-CZ 4.39Å; F145-L148 HydrophobicContact CB-CD1 3.65Å; F145-L148 HydrophobicContact CB-CG 4.1Å; F145-L148 HydrophobicContact CG-CD1 4.35Å; F145-L148 PolarHBondContact O-N 3.5Å; F145-D151 WeakPolarHBondContact O-CB 3.29Å
146	K	80.9	Confident	83	Confident	184 Å²	184	57 Å²	57	80%	0.8	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	137.6	-178.6	-68.4	-165.5	173.7	-167.6	0	111.7	L148 D151	K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 PolarHBondContact O-N 3.23Å; K146-D151 VanDerWaalsContact CA-OD2 3.32Å; K146-D151 WeakPolarHBondContact CA-OD2 3.36Å
147	G	77.9	Confident	83.4	Confident	44 Å²	44	48.9 Å²	48.9	45%	0.454	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6	177.8	0	0	0	0	0	115.8	D151 Q152	G147-D151 PolarHBondContact N-OD2 2.83Å; G147-Q152 PolarHBondContact O-NE2 3.43Å
148	L	86.3	Confident	83.6	Confident	46 Å²	46	49.3 Å²	49.3	24%	0.241	26%	0.259	C	S	.	.	S	Bend	trans	-92.2	172	177.6	-60.8	-170.4	0	0	0	112.5	F145 K146 A150 D151 Q152	F145-L148 HydrophobicContact CB-CD1 3.65Å; F145-L148 HydrophobicContact CB-CG 4.1Å; F145-L148 HydrophobicContact CG-CD1 4.35Å; F145-L148 PolarHBondContact O-N 3.5Å; K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 PolarHBondContact O-N 3.23Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.19Å; L148-A150 VanDerWaalsContact O-N 3.16Å; L148-D151 WeakPolarHBondContact O-CB 3.42Å; L148-D151 PolarHBondContact O-N 3.02Å; L148-Q152 WeakPolarHBondContact O-CG 3.16Å; L148-Q152 PolarHBondContact O-N 3.2Å
149	A	84.1	Confident	83.4	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-47.3	-46.6	-174.1	0	0	0	0	0	114.6	V117 L118 Q120 G124 Q152 T153	V117-A149 HydrophobicContact CG1-CB 3.86Å; L118-A149 VanDerWaalsContact O-CB 3.24Å; L118-A149 WeakPolarHBondContact O-CB 3.41Å; Q120-A149 HydrophobicContact CG-CB 4.27Å; G124-A149 WeakPolarHBondContact O-CB 3.5Å; A149-Q152 PolarHBondContact O-N 3.29Å; A149-T153 WeakPolarHBondContact O-CG2 3.42Å; A149-T153 PolarHBondContact O-N 2.78Å
150	A	85.3	Confident	83.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-39.2	178.7	0	0	0	0	0	113.8	L125 I127 I144 L148 T153 L156	L125-A150 WeakPolarHBondContact O-CB 3.36Å; L125-A150 PolarHBondContact O-N 3.14Å; I127-A150 HydrophobicContact CG2-CB 3.29Å; I144-A150 HydrophobicContact CG2-CB 4.2Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.19Å; L148-A150 VanDerWaalsContact O-N 3.16Å; A150-T153 PolarHBondContact O-N 2.7Å; A150-T153 PolarHBondContact O-OG1 2.79Å; A150-L156 HydrophobicContact CB-CD1 3.84Å
151	D	84.4	Confident	83.5	Confident	43 Å²	43	46.8 Å²	46.8	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-41.4	177.5	-172.4	56.2	0	0	0	110.7	I144 F145 K146 G147 L148 T153 Q154	I144-D151 HydrophobicContact CG2-CB 3.95Å; F145-D151 WeakPolarHBondContact O-CB 3.29Å; K146-D151 VanDerWaalsContact CA-OD2 3.32Å; K146-D151 WeakPolarHBondContact CA-OD2 3.36Å; G147-D151 PolarHBondContact N-OD2 2.83Å; L148-D151 WeakPolarHBondContact O-CB 3.42Å; L148-D151 PolarHBondContact O-N 3.02Å; D151-T153 PolarHBondContact O-N 2.8Å; D151-T153 VanDerWaalsContact O-N 3.13Å; D151-Q154 PolarHBondContact O-N 3.31Å; D151-Q154 PolarHBondContact O-NE2 3.34Å
152	Q	83.3	Confident	83.6	Confident	121 Å²	121	46.9 Å²	46.9	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-62.2	-24.4	179.1	-66.9	179	9.4	0	0	113.7	G147 L148 A149 Q154	G147-Q152 PolarHBondContact O-NE2 3.43Å; L148-Q152 WeakPolarHBondContact O-CG 3.16Å; L148-Q152 PolarHBondContact O-N 3.2Å; A149-Q152 PolarHBondContact O-N 3.29Å; Q152-Q154 VanDerWaalsContact C-N 3.31Å
153	T	81.9	Confident	84.1	Confident	44 Å²	44	47 Å²	47	27%	0.27	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-23	176.5	66.8	0	0	0	0	113.6	V117 A149 A150 D151 A155	V117-T153 HydrophobicContact CB-CG2 4.2Å; V117-T153 HydrophobicContact CG1-CG2 3.93Å; V117-T153 HydrophobicContact CG2-CG2 3.92Å; A149-T153 WeakPolarHBondContact O-CG2 3.42Å; A149-T153 PolarHBondContact O-N 2.78Å; A150-T153 PolarHBondContact O-N 2.7Å; A150-T153 PolarHBondContact O-OG1 2.79Å; D151-T153 PolarHBondContact O-N 2.8Å; D151-T153 VanDerWaalsContact O-N 3.13Å; T153-A155 WeakPolarHBondContact O-CB 3.39Å; T153-A155 PolarHBondContact O-N 3.38Å
154	Q	81.3	Confident	84.5	Confident	99 Å²	99	42.1 Å²	42.1	46%	0.463	22%	0.223	S	C	.	.			trans	48.9	19.4	-175.1	-61.6	-71.6	-60.9	0	0	113.9	D151 Q152	D151-Q154 PolarHBondContact O-N 3.31Å; D151-Q154 PolarHBondContact O-NE2 3.34Å; Q152-Q154 VanDerWaalsContact C-N 3.31Å
155	A	82.8	Confident	84.9	Confident	32 Å²	32	41 Å²	41	26%	0.264	22%	0.217	S	C	.	.			trans	-113	-9.7	-173.7	0	0	0	0	0	112.4	R113 V115 T153	R113-A155 PolarHBondContact NH1-O 3.03Å; V115-A155 HydrophobicContact CB-CB 4.44Å; V115-A155 HydrophobicContact CG1-CB 3.63Å; V115-A155 HydrophobicContact CG2-CB 3.95Å; T153-A155 WeakPolarHBondContact O-CB 3.39Å; T153-A155 PolarHBondContact O-N 3.38Å
156	L	85.6	Confident	85.2	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.047	22%	0.218	C	C	.	.			trans	-106.2	140.6	175.7	-64.3	174.9	0	0	0	110.2	V115 V117 I127 I141 I144 A150 L191 V193	V115-L156 HydrophobicContact CB-CD2 4.05Å; V115-L156 HydrophobicContact CG1-CD2 4.05Å; V115-L156 HydrophobicContact CG1-CG 4.03Å; V115-L156 HydrophobicContact CG2-CD2 4.03Å; V117-L156 HydrophobicContact CG2-CD1 4.01Å; I127-L156 HydrophobicContact CG2-CD1 4.3Å; I141-L156 HydrophobicContact CD1-CB 4.3Å; I141-L156 HydrophobicContact CD1-CD1 4.37Å; I141-L156 HydrophobicContact CD1-CD2 4.07Å; I141-L156 HydrophobicContact CD1-CG 4.48Å; I144-L156 HydrophobicContact CD1-CB 3.87Å; I144-L156 WeakPolarHBondContact CD1-O 3.47Å; A150-L156 HydrophobicContact CB-CD1 3.84Å; L156-L191 HydrophobicContact CD1-CD1 3.92Å; L156-L191 HydrophobicContact CD2-CD1 4.13Å; L156-V193 HydrophobicContact CD2-CG1 3.9Å; L156-V193 HydrophobicContact CD2-CG2 4.17Å
157	Y	84.6	Confident	85.2	Confident	36 Å²	36	35 Å²	35	14%	0.141	21%	0.214	C	C	.	.			trans	-126.7	151.4	178.7	-64	-88.5	0	0	0	111	V104 I108 R113 G159 D160	V104-Y157 HydrophobicContact CG2-CD1 3.69Å; V104-Y157 HydrophobicContact CG2-CE1 4.16Å; V104-Y157 HydrophobicContact CG2-CG 4.04Å; I108-Y157 HydrophobicContact CD1-CE2 4.09Å; R113-Y157 VanDerWaalsContact NH1-CE2 3.25Å; Y157-G159 PolarHBondContact O-N 3.38Å; Y157-D160 PolarHBondContact N-OD2 2.8Å; Y157-D160 WeakPolarHBondContact O-CB 3.31Å; Y157-D160 PolarHBondContact O-N 3.05Å; Y157-D160 VanDerWaalsContact O-N 3.13Å
158	V	83.4	Confident	85.7	Confident	66 Å²	66	35.4 Å²	35.4	40%	0.4	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	128	171.8	177.5	0	0	0	0	108.9	S142 I144 V203	S142-V158 WeakPolarHBondContact O-CG1 3.35Å; I144-V158 HydrophobicContact CD1-CG2 4.48Å; I144-V158 HydrophobicContact CG1-CG2 4.22Å; V158-V203 HydrophobicContact CG1-CG1 3.72Å
159	G	79.5	Confident	85.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	-1.6	-171.5	0	0	0	0	0	114.8	I141 Y157 M196	I141-G159 PolarHBondContact O-N 3.4Å; Y157-G159 PolarHBondContact O-N 3.38Å; G159-M196 PolarHBondContact O-N 3.04Å
160	D	88	Confident	86	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.4	168.3	-84.8	-33.1	0	0	0	111.3	R113 L140 I141 Y157 V193 Y195	R113-D160 IonicContact CZ-OD1 3.85Å; R113-D160 IonicContact NH2-OD1 3.2Å; R113-D160 PolarHBondContact NH2-OD1 2.96Å; R113-D160 IonicContact NH2-OD2 2.62Å; R113-D160 PolarHBondContact NH2-OD2 2.9Å; L140-D160 CarbonylContact C-O 3.58Å; L140-D160 WeakPolarHBondContact CA-O 3.47Å; I141-D160 HydrophobicContact CD1-CB 4.01Å; I141-D160 HydrophobicContact CG1-CB 4.32Å; I141-D160 PolarHBondContact N-O 2.76Å; Y157-D160 PolarHBondContact N-OD2 2.8Å; Y157-D160 WeakPolarHBondContact O-CB 3.31Å; Y157-D160 PolarHBondContact O-N 3.05Å; Y157-D160 VanDerWaalsContact O-N 3.13Å; D160-V193 HydrophobicContact CB-CB 4.17Å; D160-Y195 WeakPolarHBondContact OD1-CA 3.47Å; D160-Y195 WeakPolarHBondContact OD1-CB 3.43Å; D160-Y195 PolarHBondContact OD1-N 2.98Å
161	A	88.5	Confident	85.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.8	168.5	0	0	0	0	0	109.9	P138 I139 L140 L163 V193 K194 M196	P138-A161 HydrophobicContact CB-CB 4.49Å; I139-A161 CarbonylContact O-C 3.55Å; I139-A161 VanDerWaalsContact O-CA 3.3Å; I139-A161 WeakPolarHBondContact O-CA 3.39Å; L140-A161 HydrophobicContact CD2-CB 3.78Å; A161-L163 PolarHBondContact O-N 2.93Å; A161-V193 CarbonylContact O-C 3.56Å; A161-V193 VanDerWaalsContact O-CA 3.24Å; A161-V193 WeakPolarHBondContact O-CA 3.48Å; A161-K194 PolarHBondContact N-O 3.35Å; A161-K194 PolarHBondContact O-N 3.2Å; A161-M196 HydrophobicContact CB-CG 3.8Å; A161-M196 HydrophobicContact CB-SD 3.49Å; A161-M196 WeakPolarHBondContact CB-SD 3.43Å
162	I	91.3	Very high	85.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111.1	176.4	-52.9	177.6	0	0	0	107.8	I127 I129 I139 I141 V165 L170 L182 L191 V193	I127-I162 HydrophobicContact CD1-CD1 4.12Å; I129-I162 HydrophobicContact CG2-CD1 3.83Å; I139-I162 HydrophobicContact CG2-CB 4.35Å; I139-I162 HydrophobicContact CG2-CD1 4.26Å; I139-I162 PolarHBondContact O-N 2.9Å; I141-I162 HydrophobicContact CD1-CG1 4.46Å; I141-I162 HydrophobicContact CG1-CD1 4.1Å; I141-I162 HydrophobicContact CG1-CG1 4.11Å; I162-V165 HydrophobicContact CG2-CG2 3.85Å; I162-L170 HydrophobicContact CG2-CD1 4.12Å; I162-L182 HydrophobicContact CD1-CD1 4.22Å; I162-L191 HydrophobicContact CG2-CD2 4.33Å; I162-V193 HydrophobicContact CG1-CG1 4.35Å
163	L	90.1	Very high	85.9	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.12	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-41.1	179.5	-56.3	-178.6	0	0	0	111.3	K112 A161 D169 L170 R171 E192 K194	K112-L163 HydrophobicContact CD-CD1 3.95Å; K112-L163 HydrophobicContact CG-CD1 3.94Å; A161-L163 PolarHBondContact O-N 2.93Å; L163-D169 VanDerWaalsContact O-OD1 3.05Å; L163-L170 PolarHBondContact O-N 2.8Å; L163-R171 HydrophobicContact CD2-CG 4.16Å; L163-E192 WeakPolarHBondContact CA-O 3.22Å; L163-E192 HydrophobicContact CB-CB 4.41Å; L163-E192 HydrophobicContact CB-CG 4.41Å; L163-E192 WeakPolarHBondContact CB-O 3.44Å; L163-E192 HydrophobicContact CD1-CG 4.49Å; L163-E192 PolarHBondContact N-O 3.04Å; L163-K194 HydrophobicContact CD1-CB 3.91Å; L163-K194 HydrophobicContact CG-CB 4.3Å
164	S	90.1	Very high	86.3	Confident	13 Å²	13	43 Å²	43	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.3	178.1	73.7	0	0	0	0	112.8	A168 E192	S164-A168 CarbonylContact C-O 3.44Å; S164-A168 WeakPolarHBondContact CA-O 3.39Å; S164-A168 VanDerWaalsContact CB-O 3.25Å; S164-A168 WeakPolarHBondContact CB-O 3.37Å; S164-E192 PolarHBondContact N-O 3.42Å; S164-E192 PolarHBondContact O-N 3.4Å; S164-E192 WeakPolarHBondContact OG-CB 3.49Å; S164-E192 PolarHBondContact OG-OE2 2.97Å
165	V	92.1	Very high	86.5	Confident	5 Å²	5	41 Å²	41	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.2	176.9	-179.3	0	0	0	0	108.9	I162 G167 A168 L170 L182 A185 V189 L190 L191	I162-V165 HydrophobicContact CG2-CG2 3.85Å; V165-G167 PolarHBondContact O-N 3.19Å; V165-G167 VanDerWaalsContact O-N 3.15Å; V165-A168 PolarHBondContact N-O 3.38Å; V165-A168 WeakPolarHBondContact O-CB 3.32Å; V165-A168 PolarHBondContact O-N 2.94Å; V165-L170 HydrophobicContact CB-CD1 4.31Å; V165-L170 HydrophobicContact CG2-CD1 3.39Å; V165-L170 HydrophobicContact CG2-CG 4.24Å; V165-L182 HydrophobicContact CG1-CD2 4.18Å; V165-L182 HydrophobicContact CG2-CD2 3.66Å; V165-L182 HydrophobicContact CG2-CG 4.2Å; V165-A185 HydrophobicContact CG1-CB 3.94Å; V165-V189 HydrophobicContact CG1-CG1 3.79Å; V165-L190 CarbonylContact C-O 3.59Å; V165-L190 WeakPolarHBondContact CA-O 3.45Å; V165-L191 HydrophobicContact CB-CD2 4.38Å; V165-L191 HydrophobicContact CG1-CD2 4.22Å; V165-L191 HydrophobicContact CG2-CD2 3.7Å
166	N	88	Confident	86.7	Confident	79 Å²	79	44.8 Å²	44.8	42%	0.422	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.6	-177	-70	-7.4	0	0	0	113.2	A168 E188 V189 L190	N166-A168 VanDerWaalsContact C-N 3.31Å; N166-A168 PolarHBondContact O-N 2.77Å; N166-E188 PolarHBondContact ND2-O 3.4Å; N166-V189 WeakPolarHBondContact OD1-CA 3.34Å; N166-L190 PolarHBondContact N-O 3.27Å; N166-L190 PolarHBondContact OD1-N 2.93Å
167	G	81.4	Confident	86.8	Confident	69 Å²	69	49.1 Å²	49.1	71%	0.711	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-3.8	-177.3	0	0	0	0	0	115.4	V165	V165-G167 PolarHBondContact O-N 3.19Å; V165-G167 VanDerWaalsContact O-N 3.15Å
168	A	87.8	Confident	86.9	Confident	53 Å²	53	47.4 Å²	47.4	44%	0.438	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.7	171.2	0	0	0	0	0	110.4	S164 V165 N166	S164-A168 CarbonylContact C-O 3.44Å; S164-A168 WeakPolarHBondContact CA-O 3.39Å; S164-A168 VanDerWaalsContact CB-O 3.25Å; S164-A168 WeakPolarHBondContact CB-O 3.37Å; V165-A168 PolarHBondContact N-O 3.38Å; V165-A168 WeakPolarHBondContact O-CB 3.32Å; V165-A168 PolarHBondContact O-N 2.94Å; N166-A168 VanDerWaalsContact C-N 3.31Å; N166-A168 PolarHBondContact O-N 2.77Å
169	D	88.4	Confident	87.2	Confident	83 Å²	83	46.1 Å²	46.1	44%	0.444	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.1	-179.2	-167.9	0.8	0	0	0	111.6	L163 R171	L163-D169 VanDerWaalsContact O-OD1 3.05Å; D169-R171 VanDerWaalsContact CG-NE 3.32Å; D169-R171 WeakPolarHBondContact OD1-CB 3.33Å; D169-R171 WeakPolarHBondContact OD1-CG 3.41Å; D169-R171 IonicContact OD1-CZ 2.73Å; D169-R171 PolarHBondContact OD1-N 3.18Å; D169-R171 IonicContact OD1-NE 2.64Å; D169-R171 PolarHBondContact OD1-NE 3.22Å; D169-R171 IonicContact OD1-NH2 2.9Å; D169-R171 IonicContact OD2-CZ 3.6Å; D169-R171 IonicContact OD2-NE 3.08Å; D169-R171 PolarHBondContact OD2-NE 3.43Å; D169-R171 IonicContact OD2-NH2 2.75Å; D169-R171 PolarHBondContact OD2-NH2 3.17Å
170	L	88.4	Confident	87.6	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	28%	0.283	C	S	.	.			trans	-115.2	7.1	-179.7	-64.9	-171.4	0	0	0	113.3	I162 L163 V165 D172 A173 A178 A181	I162-L170 HydrophobicContact CG2-CD1 4.12Å; L163-L170 PolarHBondContact O-N 2.8Å; V165-L170 HydrophobicContact CB-CD1 4.31Å; V165-L170 HydrophobicContact CG2-CD1 3.39Å; V165-L170 HydrophobicContact CG2-CG 4.24Å; L170-D172 VanDerWaalsContact C-N 3.27Å; L170-D172 PolarHBondContact O-N 3.28Å; L170-A173 HydrophobicContact CB-CB 4.18Å; L170-A173 HydrophobicContact CD2-CB 3.79Å; L170-A173 PolarHBondContact O-N 3.01Å; L170-A178 HydrophobicContact CD1-CB 4.07Å; L170-A181 HydrophobicContact CD1-CB 4.39Å; L170-A181 HydrophobicContact CD2-CB 3.92Å
171	R	83.9	Confident	87.5	Confident	150 Å²	150	52 Å²	52	57%	0.566	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.3	-178.3	-73.6	178.1	-72.2	172	-2.5	113.8	L163 D169	L163-R171 HydrophobicContact CD2-CG 4.16Å; D169-R171 VanDerWaalsContact CG-NE 3.32Å; D169-R171 WeakPolarHBondContact OD1-CB 3.33Å; D169-R171 WeakPolarHBondContact OD1-CG 3.41Å; D169-R171 IonicContact OD1-CZ 2.73Å; D169-R171 PolarHBondContact OD1-N 3.18Å; D169-R171 IonicContact OD1-NE 2.64Å; D169-R171 PolarHBondContact OD1-NE 3.22Å; D169-R171 IonicContact OD1-NH2 2.9Å; D169-R171 IonicContact OD2-CZ 3.6Å; D169-R171 IonicContact OD2-NE 3.08Å; D169-R171 PolarHBondContact OD2-NE 3.43Å; D169-R171 IonicContact OD2-NH2 2.75Å; D169-R171 PolarHBondContact OD2-NH2 3.17Å
172	D	82.8	Confident	87.4	Confident	118 Å²	118	52.8 Å²	52.8	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	14.9	179.2	-69.3	-54.4	0	0	0	113	K133 L170	K133-D172 HydrophobicContact CD-CB 4.4Å; K133-D172 WeakPolarHBondContact CD-O 3.5Å; L170-D172 VanDerWaalsContact C-N 3.27Å; L170-D172 PolarHBondContact O-N 3.28Å
173	A	84.9	Confident	87.2	Confident	10 Å²	10	60.5 Å²	60.5	8%	0.083	33%	0.327	C	S	.	.			trans	-76.7	147.8	-179.9	0	0	0	0	0	111.7	K133 L170 E177	K133-A173 PolarHBondContact N-O 3.28Å; L170-A173 HydrophobicContact CB-CB 4.18Å; L170-A173 HydrophobicContact CD2-CB 3.79Å; L170-A173 PolarHBondContact O-N 3.01Å; A173-E177 HydrophobicContact CB-CB 4.15Å
174	T	88.4	Confident	86.9	Confident	46 Å²	46	68.4 Å²	68.4	28%	0.282	36%	0.356	S	S	.	.			trans	-71.2	162	167	59.4	0	0	0	0	111.1	E134 D176 E177 A178	E134-T174 WeakPolarHBondContact OE2-CA 3.33Å; E134-T174 WeakPolarHBondContact OE2-CB 3.42Å; T174-D176 VanDerWaalsContact C-N 3.27Å; T174-D176 PolarHBondContact O-N 3.34Å; T174-E177 PolarHBondContact N-OE2 3.23Å; T174-E177 PolarHBondContact O-N 2.83Å; T174-E177 WeakPolarHBondContact OG1-CB 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.19Å; T174-E177 PolarHBondContact OG1-N 3.3Å; T174-E177 PolarHBondContact OG1-OE2 2.88Å; T174-A178 PolarHBondContact O-N 2.74Å
175	H	86.6	Confident	86.2	Confident	57 Å²	57	68.2 Å²	68.2	26%	0.264	35%	0.354	S	S	.	.	H	α-helix	trans	-52.5	-47.1	176.4	-175.8	74.8	0	0	0	112.5	G131 E134 A178 V179	G131-H175 WeakPolarHBondContact O-CB 3.16Å; G131-H175 PolarHBondContact O-ND1 2.93Å; E134-H175 WeakPolarHBondContact OE1-CB 3.35Å; E134-H175 PolarHBondContact OE1-N 2.99Å; E134-H175 PolarHBondContact OE2-N 3.1Å; E134-H175 VanDerWaalsContact OE2-N 3.1Å; H175-A178 PolarHBondContact O-N 2.93Å; H175-V179 WeakPolarHBondContact O-CG2 3.31Å; H175-V179 PolarHBondContact O-N 3.33Å
176	D	87.3	Confident	85.5	Confident	112 Å²	112	70.1 Å²	70.1	60%	0.599	38%	0.375	S	S	*	.	H	α-helix	trans	-67.3	-39	-177.4	-69	-42.6	0	0	0	112.2	T174 A178 V179 Q180	T174-D176 VanDerWaalsContact C-N 3.27Å; T174-D176 PolarHBondContact O-N 3.34Å; D176-A178 VanDerWaalsContact C-N 3.33Å; D176-A178 PolarHBondContact O-N 3.01Å; D176-V179 PolarHBondContact O-N 3.17Å; D176-Q180 WeakPolarHBondContact O-CB 3.37Å; D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 3.23Å
177	E	87	Confident	85.2	Confident	100 Å²	100	73.6 Å²	73.6	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-62.7	-40.6	175.1	-75.5	167	156.2	0	0	111.8	A173 T174 Q180 A181	A173-E177 HydrophobicContact CB-CB 4.15Å; T174-E177 PolarHBondContact N-OE2 3.23Å; T174-E177 PolarHBondContact O-N 2.83Å; T174-E177 WeakPolarHBondContact OG1-CB 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.19Å; T174-E177 PolarHBondContact OG1-N 3.3Å; T174-E177 PolarHBondContact OG1-OE2 2.88Å; E177-Q180 PolarHBondContact O-N 2.92Å; E177-A181 WeakPolarHBondContact O-CB 3.19Å; E177-A181 PolarHBondContact O-N 3.13Å
178	A	87.6	Confident	85.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.9	0	0	0	0	0	112.1	I129 I139 L170 T174 H175 D176 Q180 A181 L182	I129-A178 HydrophobicContact CD1-CB 4.04Å; I139-A178 HydrophobicContact CB-CB 4.44Å; I139-A178 HydrophobicContact CD1-CB 3.53Å; I139-A178 HydrophobicContact CG1-CB 3.66Å; I139-A178 HydrophobicContact CG2-CB 3.98Å; L170-A178 HydrophobicContact CD1-CB 4.07Å; T174-A178 PolarHBondContact O-N 2.74Å; H175-A178 PolarHBondContact O-N 2.93Å; D176-A178 VanDerWaalsContact C-N 3.33Å; D176-A178 PolarHBondContact O-N 3.01Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 3.35Å; A178-A181 PolarHBondContact O-N 2.86Å; A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.29Å
179	V	88.7	Confident	85.5	Confident	40 Å²	40	72 Å²	72	24%	0.242	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-43.5	173.5	173.5	0	0	0	0	110.6	I129 H175 D176 L182 K183	I129-V179 HydrophobicContact CD1-CG2 3.8Å; I129-V179 HydrophobicContact CG1-CG2 4.3Å; H175-V179 WeakPolarHBondContact O-CG2 3.31Å; H175-V179 PolarHBondContact O-N 3.33Å; D176-V179 PolarHBondContact O-N 3.17Å; V179-L182 PolarHBondContact O-N 3.42Å; V179-K183 HydrophobicContact CG1-CD 4.03Å; V179-K183 HydrophobicContact CG1-CG 4.48Å; V179-K183 WeakPolarHBondContact O-CB 3.4Å; V179-K183 WeakPolarHBondContact O-CG 3.46Å; V179-K183 PolarHBondContact O-N 3.01Å
180	Q	87.3	Confident	85.5	Confident	106 Å²	106	72.1 Å²	72.1	50%	0.495	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.9	-74	-175.2	12.6	0	0	112.3	D176 E177 A178 K183 R184	D176-Q180 WeakPolarHBondContact O-CB 3.37Å; D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.46Å; D176-Q180 PolarHBondContact O-N 3.23Å; E177-Q180 PolarHBondContact O-N 2.92Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 3.35Å; Q180-K183 PolarHBondContact O-N 3.18Å; Q180-R184 VanDerWaalsContact O-CB 3.25Å; Q180-R184 WeakPolarHBondContact O-CB 3.09Å; Q180-R184 PolarHBondContact O-N 2.85Å
181	A	87.3	Confident	85.7	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-45	176.5	0	0	0	0	0	111.6	L170 E177 A178 K183 R184 A185	L170-A181 HydrophobicContact CD1-CB 4.39Å; L170-A181 HydrophobicContact CD2-CB 3.92Å; E177-A181 WeakPolarHBondContact O-CB 3.19Å; E177-A181 PolarHBondContact O-N 3.13Å; A178-A181 PolarHBondContact O-N 2.86Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.89Å; A181-R184 PolarHBondContact O-N 3.01Å; A181-A185 WeakPolarHBondContact O-CB 3.39Å; A181-A185 PolarHBondContact O-N 2.73Å
182	L	86.8	Confident	85.9	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-34	176	-71.1	168.2	0	0	0	112.5	K119 L125 I129 I162 V165 A178 V179 L191	K119-L182 WeakPolarHBondContact CE-O 3.43Å; K119-L182 PolarHBondContact NZ-O 3.25Å; L125-L182 HydrophobicContact CD2-CD2 3.83Å; I129-L182 HydrophobicContact CD1-CD1 3.88Å; I129-L182 HydrophobicContact CG2-CD1 4.17Å; I162-L182 HydrophobicContact CD1-CD1 4.22Å; V165-L182 HydrophobicContact CG1-CD2 4.18Å; V165-L182 HydrophobicContact CG2-CD2 3.66Å; V165-L182 HydrophobicContact CG2-CG 4.2Å; A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.29Å; V179-L182 PolarHBondContact O-N 3.42Å; L182-L191 HydrophobicContact CD2-CD2 3.71Å
183	K	85.3	Confident	86.3	Confident	163 Å²	163	61.9 Å²	61.9	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-72.9	-42.4	175.1	-77.6	178.8	179.2	178.1	0	112.4	K119 V179 Q180 A181 A185	K119-K183 PolarHBondContact NZ-O 3.4Å; V179-K183 HydrophobicContact CG1-CD 4.03Å; V179-K183 HydrophobicContact CG1-CG 4.48Å; V179-K183 WeakPolarHBondContact O-CB 3.4Å; V179-K183 WeakPolarHBondContact O-CG 3.46Å; V179-K183 PolarHBondContact O-N 3.01Å; Q180-K183 PolarHBondContact O-N 3.18Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.89Å; K183-A185 VanDerWaalsContact C-N 3.34Å
184	R	83.8	Confident	86.4	Confident	190 Å²	190	64.5 Å²	64.5	72%	0.717	32%	0.316	S	S	*	.	H	α-helix	trans	-70.7	-28	-179.8	-170.5	-176.9	-63.3	125.6	2.2	112.8	Q180 A181 G186	Q180-R184 VanDerWaalsContact O-CB 3.25Å; Q180-R184 WeakPolarHBondContact O-CB 3.09Å; Q180-R184 PolarHBondContact O-N 2.85Å; A181-R184 PolarHBondContact O-N 3.01Å; R184-G186 PolarHBondContact O-N 3.39Å
185	A	76.9	Confident	86.1	Confident	8 Å²	8	64 Å²	64	7%	0.066	31%	0.309	C	S	.	.	S	Bend	trans	-54.3	125.3	170.8	0	0	0	0	0	108.9	K119 V165 A181 K183 V189	K119-A185 VanDerWaalsContact CE-O 3.24Å; K119-A185 WeakPolarHBondContact CE-O 3.41Å; K119-A185 PolarHBondContact NZ-O 2.89Å; V165-A185 HydrophobicContact CG1-CB 3.94Å; A181-A185 WeakPolarHBondContact O-CB 3.39Å; A181-A185 PolarHBondContact O-N 2.73Å; K183-A185 VanDerWaalsContact C-N 3.34Å; A185-V189 HydrophobicContact CB-CB 4.28Å; A185-V189 HydrophobicContact CB-CG1 3.87Å; A185-V189 HydrophobicContact CB-CG2 3.71Å
186	G	77.9	Confident	85.7	Confident	45 Å²	45	63.8 Å²	63.8	46%	0.464	31%	0.309	S	S	.	.			trans	-70.5	-147.1	-171.7	0	0	0	0	0	113.4	K119 R184 E188	K119-G186 VanDerWaalsContact CD-O 3.29Å; K119-G186 WeakPolarHBondContact CD-O 3.14Å; K119-G186 WeakPolarHBondContact CE-O 3.33Å; R184-G186 PolarHBondContact O-N 3.39Å; G186-E188 PolarHBondContact O-N 3.35Å
187	K	81.6	Confident	84.6	Confident	152 Å²	152	64.7 Å²	64.7	66%	0.661	30%	0.304	S	S	*	.	S	Bend	trans	-58.5	-29	176.3	-172.2	171.4	-179	169.6	0	112.7	L118 K119	L118-K187 WeakPolarHBondContact CA-O 3.5Å; K119-K187 PolarHBondContact N-O 3.08Å
188	E	85.6	Confident	83.3	Confident	90 Å²	90	67.6 Å²	67.6	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.7	177.2	-173.1	174.7	153.4	0	0	110.9	K116 L118 N166 G186	K116-E188 HydrophobicContact CD-CG 4.27Å; K116-E188 VanDerWaalsContact CD-OE1 3.31Å; K116-E188 WeakPolarHBondContact CD-OE1 3.23Å; K116-E188 WeakPolarHBondContact CE-OE1 3.08Å; K116-E188 WeakPolarHBondContact CE-OE2 3.45Å; K116-E188 HydrophobicContact CG-CG 4.16Å; K116-E188 IonicContact NZ-OE1 2.78Å; K116-E188 PolarHBondContact NZ-OE1 2.75Å; K116-E188 IonicContact NZ-OE2 2.92Å; K116-E188 PolarHBondContact NZ-OE2 2.9Å; L118-E188 HydrophobicContact CD2-CB 4.46Å; N166-E188 PolarHBondContact ND2-O 3.4Å; G186-E188 PolarHBondContact O-N 3.35Å
189	V	88.8	Confident	81.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.4	178	-167.4	0	0	0	0	109.3	V117 K119 L125 V165 N166 A185 L191	V117-V189 PolarHBondContact N-O 3.21Å; V117-V189 PolarHBondContact O-N 2.64Å; K119-V189 HydrophobicContact CD-CG2 4.11Å; K119-V189 HydrophobicContact CG-CG2 3.84Å; L125-V189 HydrophobicContact CD1-CG2 4.42Å; V165-V189 HydrophobicContact CG1-CG1 3.79Å; N166-V189 WeakPolarHBondContact OD1-CA 3.34Å; A185-V189 HydrophobicContact CB-CB 4.28Å; A185-V189 HydrophobicContact CB-CG1 3.87Å; A185-V189 HydrophobicContact CB-CG2 3.71Å; V189-L191 HydrophobicContact CG1-CD2 3.62Å; V189-L191 HydrophobicContact CG1-CG 4Å
190	L	89	Confident	80	Confident	85 Å²	85	67.8 Å²	67.8	45%	0.445	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.3	170.4	-172.7	68.4	0	0	0	108.7	K116 V165 N166	K116-L190 HydrophobicContact CB-CD1 4.21Å; V165-L190 CarbonylContact C-O 3.59Å; V165-L190 WeakPolarHBondContact CA-O 3.45Å; N166-L190 PolarHBondContact N-O 3.27Å; N166-L190 PolarHBondContact OD1-N 2.93Å
191	L	91.4	Very high	78.2	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.6	178.4	-59.4	175.8	0	0	0	109.5	G114 V115 V117 L156 I162 V165 L182 V189 V193	G114-L191 CarbonylContact C-O 3.54Å; G114-L191 WeakPolarHBondContact CA-O 3.33Å; V115-L191 PolarHBondContact N-O 2.7Å; V115-L191 PolarHBondContact O-N 3.21Å; V117-L191 HydrophobicContact CG2-CD1 4.14Å; L156-L191 HydrophobicContact CD1-CD1 3.92Å; L156-L191 HydrophobicContact CD2-CD1 4.13Å; I162-L191 HydrophobicContact CG2-CD2 4.33Å; V165-L191 HydrophobicContact CB-CD2 4.38Å; V165-L191 HydrophobicContact CG1-CD2 4.22Å; V165-L191 HydrophobicContact CG2-CD2 3.7Å; L182-L191 HydrophobicContact CD2-CD2 3.71Å; V189-L191 HydrophobicContact CG1-CD2 3.62Å; V189-L191 HydrophobicContact CG1-CG 4Å; L191-V193 HydrophobicContact CB-CG1 4.05Å
192	E	89.9	Confident	76.4	Confident	61 Å²	61	71.1 Å²	71.1	29%	0.285	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.5	164	-167.1	-176.2	175.4	0	0	107.5	K112 R113 L163 S164	K112-E192 WeakPolarHBondContact CD-OE1 3.24Å; K112-E192 IonicContact NZ-OE1 3.95Å; K112-E192 PolarHBondContact NZ-OE1 2.88Å; R113-E192 CarbonylContact O-C 3.47Å; R113-E192 WeakPolarHBondContact O-CA 3.39Å; L163-E192 WeakPolarHBondContact CA-O 3.22Å; L163-E192 HydrophobicContact CB-CB 4.41Å; L163-E192 HydrophobicContact CB-CG 4.41Å; L163-E192 WeakPolarHBondContact CB-O 3.44Å; L163-E192 HydrophobicContact CD1-CG 4.49Å; L163-E192 PolarHBondContact N-O 3.04Å; S164-E192 PolarHBondContact N-O 3.42Å; S164-E192 PolarHBondContact O-N 3.4Å; S164-E192 WeakPolarHBondContact OG-CB 3.49Å; S164-E192 PolarHBondContact OG-OE2 2.97Å
193	V	90.8	Very high	74.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.3	-176.4	-60.1	0	0	0	0	111.7	K112 R113 V115 L156 D160 A161 I162 L191	K112-V193 CarbonylContact C-O 3.54Å; K112-V193 WeakPolarHBondContact CA-O 3.36Å; R113-V193 HydrophobicContact CB-CG2 4.05Å; R113-V193 PolarHBondContact N-O 2.88Å; R113-V193 PolarHBondContact O-N 2.96Å; V115-V193 HydrophobicContact CG2-CG2 4.01Å; L156-V193 HydrophobicContact CD2-CG1 3.9Å; L156-V193 HydrophobicContact CD2-CG2 4.17Å; D160-V193 HydrophobicContact CB-CB 4.17Å; A161-V193 CarbonylContact O-C 3.56Å; A161-V193 VanDerWaalsContact O-CA 3.24Å; A161-V193 WeakPolarHBondContact O-CA 3.48Å; I162-V193 HydrophobicContact CG1-CG1 4.35Å; L191-V193 HydrophobicContact CB-CG1 4.05Å
194	K	87.4	Confident	72.9	Confident	65 Å²	65	70.3 Å²	70.3	28%	0.283	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.9	170.8	179.9	-177.9	177.8	-176	0	108.8	N110 A161 L163 M196	N110-K194 VanDerWaalsContact O-CE 3.31Å; N110-K194 WeakPolarHBondContact O-CE 3.42Å; N110-K194 WeakPolarHBondContact OD1-CE 3.44Å; A161-K194 PolarHBondContact N-O 3.35Å; A161-K194 PolarHBondContact O-N 3.2Å; L163-K194 HydrophobicContact CD1-CB 3.91Å; L163-K194 HydrophobicContact CG-CB 4.3Å; K194-M196 PolarHBondContact O-N 2.83Å; K194-M196 VanDerWaalsContact O-N 3.15Å
195	Y	82.3	Confident	71.1	Confident	36 Å²	36	70.3 Å²	70.3	14%	0.141	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	112.5	175.3	-173.3	-103.7	0	0	0	109.8	V104 D160 R197	V104-Y195 HydrophobicContact CG1-CD1 4.27Å; V104-Y195 HydrophobicContact CG1-CD2 4.47Å; V104-Y195 HydrophobicContact CG1-CE1 4.22Å; V104-Y195 HydrophobicContact CG1-CE2 4.43Å; V104-Y195 HydrophobicContact CG1-CG 4.39Å; V104-Y195 HydrophobicContact CG2-CE2 4.23Å; D160-Y195 WeakPolarHBondContact OD1-CA 3.47Å; D160-Y195 WeakPolarHBondContact OD1-CB 3.43Å; D160-Y195 PolarHBondContact OD1-N 2.98Å; Y195-R197 HydrophobicContact CE1-CB 4.3Å
196	M	76.4	Confident	69.9	Low	52 Å²	52	72.2 Å²	72.2	26%	0.256	35%	0.353	S	S	.	.			trans	-100.9	93.2	-179.4	-73.2	-170.9	75.5	0	0	110.2	P138 G159 A161 K194 E198 A199 T200	P138-M196 HydrophobicContact CG-CE 4.34Å; P138-M196 HydrophobicContact CG-SD 3.84Å; G159-M196 PolarHBondContact O-N 3.04Å; A161-M196 HydrophobicContact CB-CG 3.8Å; A161-M196 HydrophobicContact CB-SD 3.49Å; A161-M196 WeakPolarHBondContact CB-SD 3.43Å; K194-M196 PolarHBondContact O-N 2.83Å; K194-M196 VanDerWaalsContact O-N 3.15Å; M196-E198 PolarHBondContact O-N 2.82Å; M196-E198 VanDerWaalsContact O-N 3.17Å; M196-A199 HydrophobicContact CB-CB 3.57Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 2.7Å; M196-T200 PolarHBondContact O-N 2.86Å
197	R	64.6	Low	69.1	Low	130 Å²	130	70.3 Å²	70.3	49%	0.491	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.1	177.4	-173.2	174.4	174.2	162.7	-1.7	112.5	Y195 A199 T200	Y195-R197 HydrophobicContact CE1-CB 4.3Å; R197-A199 VanDerWaalsContact C-N 3.3Å; R197-A199 PolarHBondContact O-N 3.1Å; R197-T200 PolarHBondContact O-OG1 3.03Å
198	E	59.9	Low	68	Low	161 Å²	161	64.4 Å²	64.4	75%	0.752	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.2	176.9	-64.6	172.6	-166.8	0	0	113.8	M196 P201	M196-E198 PolarHBondContact O-N 2.82Å; M196-E198 VanDerWaalsContact O-N 3.17Å; E198-P201 WeakPolarHBondContact O-CD 3.32Å
199	A	55.1	Low	66.9	Low	4 Å²	4	60.1 Å²	60.1	3%	0.033	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-14.9	-177.1	0	0	0	0	0	113.8	L140 M196 R197 P201 Y202	L140-A199 HydrophobicContact CD1-CB 3.74Å; L140-A199 HydrophobicContact CD2-CB 3.6Å; L140-A199 HydrophobicContact CG-CB 4.34Å; M196-A199 HydrophobicContact CB-CB 3.57Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 2.7Å; R197-A199 VanDerWaalsContact C-N 3.3Å; R197-A199 PolarHBondContact O-N 3.1Å; A199-P201 VanDerWaalsContact C-N 3.26Å; A199-Y202 WeakPolarHBondContact O-CD2 3.37Å; A199-Y202 PolarHBondContact O-N 3.13Å
200	T	52.9	Low	65.5	Low	40 Å²	40	62.7 Å²	62.7	25%	0.245	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-47.6	-35.6	170.9	-22.8	0	0	0	0	115.1	M196 R197 Y202 V203	M196-T200 PolarHBondContact O-N 2.86Å; R197-T200 PolarHBondContact O-OG1 3.03Å; T200-Y202 VanDerWaalsContact C-N 3.27Å; T200-Y202 PolarHBondContact O-N 2.91Å; T200-V203 PolarHBondContact O-N 3.24Å
201	P	47.8	Very low	64	Low	45 Å²	45	62.3 Å²	62.3	29%	0.292	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.6	174.6	-28.9	38.7	0	0	0	116	E198 A199	E198-P201 WeakPolarHBondContact O-CD 3.32Å; A199-P201 VanDerWaalsContact C-N 3.26Å
202	Y	50.9	Low	62.8	Low	149 Å²	149	63 Å²	63	58%	0.584	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-87.1	-11.5	-176.8	-57.9	-80.2	0	0	0	112.5	M137 A199 T200	M137-Y202 HydrophobicContact SD-CD1 3.6Å; M137-Y202 VanDerWaalsContact SD-CD1 3.6Å; M137-Y202 HydrophobicContact SD-CD2 4.46Å; M137-Y202 HydrophobicContact SD-CE1 4.22Å; M137-Y202 HydrophobicContact SD-CG 3.74Å; A199-Y202 WeakPolarHBondContact O-CD2 3.37Å; A199-Y202 PolarHBondContact O-N 3.13Å; T200-Y202 VanDerWaalsContact C-N 3.27Å; T200-Y202 PolarHBondContact O-N 2.91Å
203	V	50.7	Low	61.3	Low	20 Å²	20	62.2 Å²	62.2	12%	0.121	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-33.3	-178.3	-176.8	0	0	0	0	111.8	S142 V158 T200	S142-V203 WeakPolarHBondContact O-CG1 3.21Å; V158-V203 HydrophobicContact CG1-CG1 3.72Å; T200-V203 PolarHBondContact O-N 3.24Å
204	K	47.8	Very low	60	Low	143 Å²	143	62.9 Å²	62.9	62%	0.622	32%	0.318	S	S	*	.	S	Bend	trans	-99.7	132.3	177.1	-65.5	-173.4	176.7	-173.2	0	111	G206	K204-G206 PolarHBondContact O-N 3.14Å
205	K	45.4	Very low	58.5	Low	190 Å²	190	66 Å²	66	83%	0.826	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-55.7	131.4	164	-101.9	177.8	174.5	176.3	0	107.1	S207	K205-S207 PolarHBondContact O-N 2.95Å
206	G	52.9	Low	56.8	Low	47 Å²	47	66.5 Å²	66.5	49%	0.485	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-57.2	136.7	-179.9	0	0	0	0	0	111.2	K204	K204-G206 PolarHBondContact O-N 3.14Å
207	S	60.6	Low	55	Low	6 Å²	6	67.7 Å²	67.7	4%	0.042	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-59.3	131.5	174.1	166.5	0	0	0	0	109.9	S52 K205 V209 S210 R241	S52-S207 VanDerWaalsContact CB-OG 3.23Å; S52-S207 WeakPolarHBondContact CB-OG 3.29Å; K205-S207 PolarHBondContact O-N 2.95Å; S207-V209 PolarHBondContact O-N 3.34Å; S207-V209 PolarHBondContact OG-N 3.19Å; S207-S210 WeakPolarHBondContact O-CB 3.29Å; S207-S210 PolarHBondContact O-N 2.89Å; S207-R241 WeakPolarHBondContact CB-O 3.5Å; S207-R241 PolarHBondContact OG-O 3.36Å
208	P	58.2	Low	53.8	Low	27 Å²	27	66.6 Å²	66.6	18%	0.175	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-54.3	-28.4	176.9	-24.6	32.8	0	0	0	112.9	H37 E211	H37-P208 HydrophobicContact CB-CB 4.21Å; H37-P208 HydrophobicContact CB-CG 4.5Å; H37-P208 WeakPolarHBondContact ND1-CG 3.5Å; P208-E211 PolarHBondContact O-N 2.84Å
209	V	62.8	Low	52.7	Low	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-71.2	-29.3	179.7	174.8	0	0	0	0	112.4	V39 L50 S207 E211 I212 K244	V39-V209 HydrophobicContact CG1-CG2 3.47Å; V39-V209 VanDerWaalsContact CG1-CG2 3.47Å; L50-V209 HydrophobicContact CB-CG1 4.04Å; L50-V209 WeakPolarHBondContact O-CG1 3.14Å; S207-V209 PolarHBondContact O-N 3.34Å; S207-V209 PolarHBondContact OG-N 3.19Å; V209-E211 PolarHBondContact O-N 3.28Å; V209-I212 PolarHBondContact O-N 2.8Å; V209-K244 HydrophobicContact CG1-CB 3.36Å; V209-K244 VanDerWaalsContact CG1-N 3.34Å
210	S	58.6	Low	51.9	Low	54 Å²	54	69.3 Å²	69.3	38%	0.378	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-67.5	-24.4	173.7	-78.5	0	0	0	0	112.9	S207 I212 R241	S207-S210 WeakPolarHBondContact O-CB 3.29Å; S207-S210 PolarHBondContact O-N 2.89Å; S210-I212 VanDerWaalsContact C-N 3.31Å; S210-R241 VanDerWaalsContact OG-C 3.3Å; S210-R241 VanDerWaalsContact OG-CA 3.24Å; S210-R241 WeakPolarHBondContact OG-CA 3.27Å; S210-R241 WeakPolarHBondContact OG-CB 3.42Å; S210-R241 PolarHBondContact OG-O 3.39Å
211	E	57.1	Low	50.8	Low	77 Å²	77	72 Å²	72	36%	0.36	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-84.1	-7.2	-177.1	-57.3	-172.5	155.8	0	0	113	V32 R33 P208 V209 G213	V32-E211 HydrophobicContact CG1-CB 4.17Å; R33-E211 IonicContact CZ-OE1 2.98Å; R33-E211 IonicContact CZ-OE2 3.33Å; R33-E211 IonicContact NE-OE2 3.41Å; R33-E211 PolarHBondContact NE-OE2 2.88Å; R33-E211 IonicContact NH1-OE1 3.27Å; R33-E211 PolarHBondContact NH1-OE1 2.81Å; R33-E211 IonicContact NH1-OE2 3.8Å; R33-E211 PolarHBondContact NH1-OE2 2.82Å; R33-E211 IonicContact NH2-OE1 3.49Å; R33-E211 PolarHBondContact NH2-OE1 2.9Å; R33-E211 IonicContact NH2-OE2 2.72Å; R33-E211 PolarHBondContact NH2-OE2 3.23Å; P208-E211 PolarHBondContact O-N 2.84Å; V209-E211 PolarHBondContact O-N 3.28Å; E211-G213 PolarHBondContact O-N 2.86Å
212	I	66.9	Low	50	Low	15 Å²	15	75.9 Å²	75.9	8%	0.077	43%	0.427	C	S	.	.			trans	-66.8	103.7	174.1	-59.5	173	0	0	0	108	V30 V32 L50 V209 S210 W214 K244 V278	V30-I212 HydrophobicContact CG2-CD1 3.99Å; V32-I212 HydrophobicContact CG2-CD1 4.41Å; V32-I212 HydrophobicContact CG2-CG1 3.98Å; L50-I212 HydrophobicContact CD1-CD1 3.54Å; V209-I212 PolarHBondContact O-N 2.8Å; S210-I212 VanDerWaalsContact C-N 3.31Å; I212-W214 PolarHBondContact O-N 3.25Å; I212-K244 HydrophobicContact CB-CD 4.42Å; I212-K244 HydrophobicContact CB-CG 4.33Å; I212-K244 HydrophobicContact CG2-CG 4.47Å; I212-K244 WeakPolarHBondContact O-CE 3.5Å; I212-K244 PolarHBondContact O-NZ 3.2Å; I212-V278 HydrophobicContact CG2-CG2 3.67Å
213	G	59.4	Low	49.1	Very low	45 Å²	45	80.5 Å²	80.5	46%	0.464	44%	0.443	S	S	.	.			trans	-62.5	98	170.1	0	0	0	0	0	109	E211 H276	E211-G213 PolarHBondContact O-N 2.86Å; G213-H276 WeakPolarHBondContact O-CB 3.25Å; G213-H276 PolarHBondContact O-CD2 3.35Å
214	W	61.6	Low	48.1	Very low	15 Å²	15	87.7 Å²	87.7	6%	0.057	48%	0.48	C	S	.	.			trans	-133.8	73.3	170.3	-162.4	-80.8	0	0	0	105.3	I212 K244 I246 C251 I269 H276 V278	I212-W214 PolarHBondContact O-N 3.25Å; W214-K244 PolarHBondContact O-NZ 3.23Å; W214-I246 HydrophobicContact CD2-CB 4.42Å; W214-I246 HydrophobicContact CD2-CG1 4.13Å; W214-I246 HydrophobicContact CD2-CG2 3.89Å; W214-I246 VanDerWaalsContact CE2-CG2 3.48Å; W214-I246 HydrophobicContact CE3-CD1 4.46Å; W214-I246 HydrophobicContact CE3-CG1 4.3Å; W214-I246 HydrophobicContact CE3-CG2 4.09Å; W214-I246 HydrophobicContact CG-CG1 4.37Å; W214-I246 HydrophobicContact CH2-CG2 3.55Å; W214-I246 HydrophobicContact CZ2-CG2 3.32Å; W214-I246 HydrophobicContact CZ3-CG2 3.93Å; W214-C251 VanDerWaalsContact CZ2-SG 3.52Å; W214-I269 HydrophobicContact CH2-CG2 4.06Å; W214-H276 HydrophobicContact CE3-CB 4.35Å; W214-V278 HydrophobicContact CE3-CG2 3.69Å; W214-V278 HydrophobicContact CZ3-CB 4.39Å; W214-V278 HydrophobicContact CZ3-CG2 3.75Å
215	E	56.5	Low	47.5	Very low	130 Å²	130	84.8 Å²	84.8	61%	0.607	49%	0.49	S	S	*	.			trans	-125.2	93.7	173.9	-71.4	-168.2	175.4	0	0	106.9	P217 H276	E215-P217 VanDerWaalsContact O-CD 3.27Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å; E215-H276 PolarHBondContact O-CE1 3.11Å
216	T	46.1	Very low	46.6	Very low	47 Å²	47	79.4 Å²	79.4	29%	0.288	49%	0.489	S	S	.	.			trans	-78.2	112	159.9	39.5	0	0	0	0	105.9	R363	T216-R363 VanDerWaalsContact CB-NH2 3.27Å
217	P	40.4	Very low	45.8	Very low	77 Å²	77	82.9 Å²	82.9	50%	0.5	51%	0.506	S	S	.	.			trans	-53.4	137.6	-179.4	12.2	-25.4	0	0	0	110.1	E215 R363	E215-P217 VanDerWaalsContact O-CD 3.27Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-R363 VanDerWaalsContact CD-NH1 3.3Å; P217-R363 PolarHBondContact O-NH1 2.73Å
218	P	37.8	Very low	44.2	Very low	107 Å²	107	88 Å²	88	70%	0.695	54%	0.537	S	S	*	.			trans	-52.6	146.2	173.7	20.4	-29.4	0	0	0	109	E220	P218-E220 PolarHBondContact O-N 3.49Å
219	P	37.8	Very low	43.3	Very low	79 Å²	79	92.5 Å²	92.5	51%	0.513	57%	0.569	S	S	.	*			trans	-53.9	110.4	175.9	22.5	-31	0	0	0	107.4	S221	P219-S221 PolarHBondContact O-N 3.47Å
220	E	37.1	Very low	41.5	Very low	143 Å²	143	101 Å²	101	67%	0.668	61%	0.609	S	S	*	*			trans	-55.8	113	-177.9	-60.8	171.5	139.8	0	0	107.1	P218 R364	P218-E220 PolarHBondContact O-N 3.49Å; E220-R364 IonicContact OE2-NH2 2.65Å; E220-R364 PolarHBondContact OE2-NH2 2.98Å
221	S	30.2	Very low	40	Very low	97 Å²	97	104.5 Å²	104.5	68%	0.678	63%	0.628	S	S	*	*			trans	-68.4	133.3	172.5	-58	0	0	0	0	107.2	P219 R223	P219-S221 PolarHBondContact O-N 3.47Å; S221-R223 PolarHBondContact O-N 2.87Å
222	P	31.8	Very low	38.7	Very low	126 Å²	126	107 Å²	107	82%	0.818	65%	0.651	S	S	*	*			trans	-67.4	101	178.1	27.4	-31.8	0	0	0	108.4	L224	P222-L224 PolarHBondContact O-N 2.75Å
223	R	31.2	Very low	36.7	Very low	245 Å²	245	111.6 Å²	111.6	93%	0.925	68%	0.684	S	S	*	*			trans	-77.8	100.6	167.3	-68.9	-171.3	-179.6	-171	1.3	107.5	S221 G225	S221-R223 PolarHBondContact O-N 2.87Å; R223-G225 PolarHBondContact O-N 3.17Å
224	L	30.5	Very low	35.4	Very low	171 Å²	171	114.6 Å²	114.6	90%	0.895	70%	0.698	S	S	*	*			trans	-64.4	120	164.8	-84.3	159	0	0	0	109	P222	P222-L224 PolarHBondContact O-N 2.75Å
225	G	34.3	Very low	34	Very low	82 Å²	82	119.6 Å²	119.6	85%	0.845	72%	0.722	S	S	*	*			trans	74.3	112.6	154.3	0	0	0	0	0	117.1	R223	R223-G225 PolarHBondContact O-N 3.17Å
226	G	26.7	Very low	32.6	Very low	78 Å²	78	119.1 Å²	119.1	80%	0.804	73%	0.733	S	S	*	*			trans	164.8	87.6	164.9	0	0	0	0	0	112	T228	G226-T228 PolarHBondContact O-N 3.2Å
227	S	35.3	Very low	31.8	Very low	119 Å²	119	123 Å²	123	83%	0.832	75%	0.746	S	S	*	*			trans	-62.9	116	162.9	174.1	0	0	0	0	108.5
228	T	28.5	Very low	31.4	Very low	115 Å²	115	124 Å²	124	71%	0.706	76%	0.755	S	S	*	*				177.8	141	129.8	39.6	0	0	0	0	109.7	G226 E230	G226-T228 PolarHBondContact O-N 3.2Å; T228-E230 PolarHBondContact O-N 3.5Å
229	S	39.7	Very low	31.1	Very low	120 Å²	120	126.4 Å²	126.4	84%	0.839	76%	0.755	S	S	*	*			trans	-39.1	109.4	170.1	49.4	0	0	0	0	114.5
230	E	24.7	Very low	31.3	Very low	180 Å²	180	129 Å²	129	84%	0.841	76%	0.76	S	S	*	*			trans	-139.5	127.6	160.1	-71.9	-164.4	158.5	0	0	110.9	T228	T228-E230 PolarHBondContact O-N 3.5Å
231	T	26.2	Very low	32.1	Very low	126 Å²	126	128 Å²	128	77%	0.773	75%	0.75	S	S	*	*			trans	-39.8	148.3	171.9	24.6	0	0	0	0	114.2	S233	T231-S233 PolarHBondContact O-N 3.38Å
232	P	29.8	Very low	33.7	Very low	131 Å²	131	127.5 Å²	127.5	85%	0.851	74%	0.74	S	S	*	*			trans	-62.2	106.5	178.9	25.8	-31	0	0	0	109.4	S234	P232-S234 PolarHBondContact O-N 2.86Å
233	S	25.8	Very low	35.9	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	73%	0.726	S	S	*	*			trans	-57.7	119.8	177.4	55.4	0	0	0	0	109.6	T231 Q235	T231-S233 PolarHBondContact O-N 3.38Å; S233-Q235 PolarHBondContact O-N 3.48Å
234	S	30.6	Very low	38.4	Very low	108 Å²	108	118.2 Å²	118.2	76%	0.755	69%	0.689	S	S	*	*			trans	-20.5	112.1	170.7	50.2	0	0	0	0	114.9	P232	P232-S234 PolarHBondContact O-N 2.86Å
235	Q	33	Very low	41.1	Very low	120 Å²	120	113.1 Å²	113.1	56%	0.561	67%	0.668	S	S	*	*			trans	-44.2	136	163.8	-68.2	164.8	-37.8	0	0	110.6	S233 F237	S233-Q235 PolarHBondContact O-N 3.48Å; Q235-F237 HydrophobicContact CB-CE2 4.42Å; Q235-F237 VanDerWaalsContact O-CD2 3.26Å; Q235-F237 WeakPolarHBondContact O-CD2 3.42Å; Q235-F237 PolarHBondContact O-N 3.08Å
236	S	27.4	Very low	43.7	Very low	121 Å²	121	109.2 Å²	109.2	85%	0.846	63%	0.628	S	S	*	*			trans	-62	87.8	162.1	55.4	0	0	0	0	108.6	S238	S236-S238 PolarHBondContact O-N 3.28Å
237	F	29.9	Very low	46.8	Very low	128 Å²	128	108.3 Å²	108.3	56%	0.561	61%	0.608	S	S	*	*			trans	-62.3	99.2	171.9	-73.1	-79.2	0	0	0	108.2	Q235 F239	Q235-F237 HydrophobicContact CB-CE2 4.42Å; Q235-F237 VanDerWaalsContact O-CD2 3.26Å; Q235-F237 WeakPolarHBondContact O-CD2 3.42Å; Q235-F237 PolarHBondContact O-N 3.08Å; F237-F239 VanDerWaalsContact O-CD2 3.26Å; F237-F239 WeakPolarHBondContact O-CD2 3.45Å; F237-F239 PolarHBondContact O-N 2.88Å; F237-F239 VanDerWaalsContact O-N 3.08Å
238	S	30.3	Very low	49.5	Very low	98 Å²	98	102.7 Å²	102.7	69%	0.685	57%	0.568	S	S	*	*			trans	-57.7	114.7	168.4	51.1	0	0	0	0	108.5	S236 H240	S236-S238 PolarHBondContact O-N 3.28Å; S238-H240 PolarHBondContact O-N 3.23Å
239	F	31.4	Very low	52.6	Low	157 Å²	157	101.2 Å²	101.2	69%	0.689	55%	0.552	S	S	*	*	S	Bend	trans	-69.8	28.3	-174.9	-79.6	-86.8	0	0	0	114.8	F237	F237-F239 VanDerWaalsContact O-CD2 3.26Å; F237-F239 WeakPolarHBondContact O-CD2 3.45Å; F237-F239 PolarHBondContact O-N 2.88Å; F237-F239 VanDerWaalsContact O-N 3.08Å
240	H	43.8	Very low	55.1	Low	133 Å²	133	95.7 Å²	95.7	62%	0.616	51%	0.513	S	S	*	.			trans	-119.2	66.4	175.9	-61.8	-60.7	0	0	0	110.6	S238 D242 R243	S238-H240 PolarHBondContact O-N 3.23Å; H240-D242 PolarHBondContact O-N 3.49Å; H240-D242 VanDerWaalsContact O-N 3.13Å; H240-R243 HydrophobicContact CB-CB 4.24Å; H240-R243 PolarHBondContact O-N 2.93Å
241	R	52.5	Low	58.4	Low	124 Å²	124	87.2 Å²	87.2	47%	0.468	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.6	178.5	-79.2	-171	-176.6	-156.9	1	113.8	S207 S210 R243	S207-R241 WeakPolarHBondContact CB-O 3.5Å; S207-R241 PolarHBondContact OG-O 3.36Å; S210-R241 VanDerWaalsContact OG-C 3.3Å; S210-R241 VanDerWaalsContact OG-CA 3.24Å; S210-R241 WeakPolarHBondContact OG-CA 3.27Å; S210-R241 WeakPolarHBondContact OG-CB 3.42Å; S210-R241 PolarHBondContact OG-O 3.39Å; R241-R243 VanDerWaalsContact C-N 3.32Å
242	D	64.9	Low	61.7	Low	85 Å²	85	81.6 Å²	81.6	46%	0.455	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.8	178.1	-57	-35.9	0	0	0	113.1	S51 S52 H240	S51-D242 CarbonylContact C-O 3.52Å; S51-D242 WeakPolarHBondContact CA-O 3.41Å; S52-D242 PolarHBondContact N-O 2.8Å; H240-D242 PolarHBondContact O-N 3.49Å; H240-D242 VanDerWaalsContact O-N 3.13Å
243	R	76.6	Confident	64.7	Low	139 Å²	139	75.5 Å²	75.5	53%	0.525	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.5	-173.7	-175.8	179.9	160	174.4	4.4	112	V49 L50 H240 R241	V49-R243 HydrophobicContact CG1-CG 3.43Å; V49-R243 VanDerWaalsContact CG1-CG 3.43Å; L50-R243 CarbonylContact O-C 3.55Å; L50-R243 WeakPolarHBondContact O-CA 3.39Å; H240-R243 HydrophobicContact CB-CB 4.24Å; H240-R243 PolarHBondContact O-N 2.93Å; R241-R243 VanDerWaalsContact C-N 3.32Å
244	K	84.2	Confident	67.9	Low	37 Å²	37	70.2 Å²	70.2	16%	0.161	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.6	172.2	-172.4	77.8	-174.4	-170.5	0	109.6	V49 L50 V209 I212 W214 I246	V49-K244 CarbonylContact C-O 3.55Å; V49-K244 VanDerWaalsContact CA-O 3.31Å; V49-K244 WeakPolarHBondContact CA-O 3.36Å; L50-K244 HydrophobicContact CB-CB 4.43Å; L50-K244 PolarHBondContact N-O 3.4Å; L50-K244 PolarHBondContact O-N 2.92Å; V209-K244 HydrophobicContact CG1-CB 3.36Å; V209-K244 VanDerWaalsContact CG1-N 3.34Å; I212-K244 HydrophobicContact CB-CD 4.42Å; I212-K244 HydrophobicContact CB-CG 4.33Å; I212-K244 HydrophobicContact CG2-CG 4.47Å; I212-K244 WeakPolarHBondContact O-CE 3.5Å; I212-K244 PolarHBondContact O-NZ 3.2Å; W214-K244 PolarHBondContact O-NZ 3.23Å; K244-I246 HydrophobicContact CG-CG1 4.35Å
245	S	87.1	Confident	70.7	Confident	64 Å²	64	66.7 Å²	66.7	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.6	173.4	-164	0	0	0	0	110.1
246	I	89.9	Confident	72.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.9	-177.7	-63.8	171.8	0	0	0	107.1	A47 L48 L50 W214 K244 L248 V278	A47-I246 CarbonylContact C-O 3.5Å; A47-I246 VanDerWaalsContact CA-O 3.26Å; A47-I246 WeakPolarHBondContact CA-O 3.37Å; L48-I246 HydrophobicContact CB-CB 4.22Å; L48-I246 HydrophobicContact CD2-CD1 4.46Å; L48-I246 PolarHBondContact N-O 2.96Å; L48-I246 WeakPolarHBondContact O-CB 3.33Å; L48-I246 PolarHBondContact O-N 3.46Å; L50-I246 HydrophobicContact CD1-CD1 3.81Å; L50-I246 HydrophobicContact CG-CD1 4.21Å; W214-I246 HydrophobicContact CD2-CB 4.42Å; W214-I246 HydrophobicContact CD2-CG1 4.13Å; W214-I246 HydrophobicContact CD2-CG2 3.89Å; W214-I246 VanDerWaalsContact CE2-CG2 3.48Å; W214-I246 HydrophobicContact CE3-CD1 4.46Å; W214-I246 HydrophobicContact CE3-CG1 4.3Å; W214-I246 HydrophobicContact CE3-CG2 4.09Å; W214-I246 HydrophobicContact CG-CG1 4.37Å; W214-I246 HydrophobicContact CH2-CG2 3.55Å; W214-I246 HydrophobicContact CZ2-CG2 3.32Å; W214-I246 HydrophobicContact CZ3-CG2 3.93Å; K244-I246 HydrophobicContact CG-CG1 4.35Å; I246-L248 PolarHBondContact O-N 3.03Å; I246-V278 HydrophobicContact CD1-CB 4.3Å; I246-V278 HydrophobicContact CD1-CG1 4.15Å; I246-V278 HydrophobicContact CD1-CG2 3.83Å
247	P	91.4	Very high	75.5	Confident	60 Å²	60	59.1 Å²	59.1	39%	0.39	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.4	173.3	25	-35.7	0	0	0	110.6	C251	P247-C251 PolarHBondContact O-SG 3.47Å
248	L	92.8	Very high	77.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.			trans	-83.4	-14.3	-176.6	-68.4	177.8	0	0	0	113.5	L43 D46 L48 I246 M250 C251 I295 N298 V299 L302	L43-L248 HydrophobicContact CD1-CD1 3.47Å; L43-L248 VanDerWaalsContact CD1-CD1 3.47Å; D46-L248 PolarHBondContact O-N 3.35Å; L48-L248 HydrophobicContact CB-CD2 4.06Å; I246-L248 PolarHBondContact O-N 3.03Å; L248-M250 PolarHBondContact O-N 3.29Å; L248-M250 VanDerWaalsContact O-N 3.15Å; L248-C251 WeakPolarHBondContact O-CB 3.37Å; L248-C251 PolarHBondContact O-N 3.18Å; L248-I295 HydrophobicContact CD2-CG2 3.82Å; L248-N298 HydrophobicContact CD1-CB 4.14Å; L248-V299 HydrophobicContact CB-CG2 4.04Å; L248-V299 HydrophobicContact CD2-CG2 4.36Å; L248-L302 HydrophobicContact CB-CD1 3.91Å
249	K	91.9	Very high	79.8	Confident	85 Å²	85	54.4 Å²	54.4	37%	0.37	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	120.1	-179.9	-175.1	173	178.9	172.9	0	110.7	C251 P272 L302 V306 E309	K249-C251 PolarHBondContact O-N 2.9Å; K249-P272 VanDerWaalsContact O-CG 3.26Å; K249-P272 WeakPolarHBondContact O-CG 3.24Å; K249-L302 HydrophobicContact CB-CD1 4.46Å; K249-V306 HydrophobicContact CD-CG2 4.28Å; K249-V306 HydrophobicContact CG-CG2 3.72Å; K249-E309 WeakPolarHBondContact CE-OE2 3.33Å; K249-E309 IonicContact NZ-OE1 2.85Å; K249-E309 PolarHBondContact NZ-OE1 3.4Å; K249-E309 IonicContact NZ-OE2 3.07Å; K249-E309 PolarHBondContact NZ-OE2 2.94Å
250	M	92.4	Very high	82	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.02	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	22.4	-176.5	-65.1	-54.7	-61.5	0	0	115.2	L248 P272 L303 V306 L328 W330 L347 M361	L248-M250 PolarHBondContact O-N 3.29Å; L248-M250 VanDerWaalsContact O-N 3.15Å; M250-P272 HydrophobicContact CB-CB 3.97Å; M250-P272 HydrophobicContact CB-CG 4.08Å; M250-P272 WeakPolarHBondContact O-CA 3.46Å; M250-L303 HydrophobicContact CE-CD2 4.2Å; M250-L303 HydrophobicContact SD-CD2 3.37Å; M250-L303 WeakPolarHBondContact SD-CD2 3.34Å; M250-V306 HydrophobicContact CG-CB 4.46Å; M250-V306 HydrophobicContact CG-CG1 3.87Å; M250-V306 HydrophobicContact CG-CG2 3.89Å; M250-V306 HydrophobicContact SD-CB 4.11Å; M250-V306 HydrophobicContact SD-CG1 3.67Å; M250-V306 HydrophobicContact SD-CG2 3.95Å; M250-L328 HydrophobicContact CE-CD1 3.43Å; M250-L328 VanDerWaalsContact CE-CD1 3.43Å; M250-L328 HydrophobicContact SD-CD1 3.61Å; M250-W330 PolarHBondContact O-NE1 2.86Å; M250-L347 HydrophobicContact CE-CD1 3.57Å; M250-M361 HydrophobicContact CB-CG 4.44Å; M250-M361 HydrophobicContact CE-SD 3.84Å; M250-M361 HydrophobicContact CG-CE 4.11Å; M250-M361 HydrophobicContact CG-CG 4.34Å; M250-M361 HydrophobicContact CG-SD 4.1Å
251	C	94.3	Very high	83.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.246	C	C	.	.			trans	-69.7	149.4	166.5	-74.8	0	0	0	0	110.4	W214 P247 L248 K249 I269 H270 V299	W214-C251 VanDerWaalsContact CZ2-SG 3.52Å; P247-C251 PolarHBondContact O-SG 3.47Å; L248-C251 WeakPolarHBondContact O-CB 3.37Å; L248-C251 PolarHBondContact O-N 3.18Å; K249-C251 PolarHBondContact O-N 2.9Å; C251-I269 HydrophobicContact CB-CG2 3.97Å; C251-H270 WeakPolarHBondContact CA-O 3.33Å; C251-V299 HydrophobicContact CB-CG2 4.38Å; C251-V299 VanDerWaalsContact O-CG1 3.29Å; C251-V299 WeakPolarHBondContact O-CG1 3.44Å
252	Y	94.9	Very high	85.2	Confident	8 Å²	8	44.9 Å²	44.9	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.6	169.6	-179	-154.5	0	0	0	109.6	M257 I269 H270 W330 A332 P345 E418	Y252-M257 HydrophobicContact CD1-CE 4.04Å; Y252-M257 HydrophobicContact CE1-CE 3.18Å; Y252-M257 HydrophobicContact CE1-SD 4.36Å; Y252-M257 WeakPolarHBondContact OH-CE 3.43Å; Y252-I269 WeakPolarHBondContact O-CA 3.12Å; Y252-H270 PolarHBondContact N-O 2.8Å; Y252-H270 PolarHBondContact O-N 3.28Å; Y252-W330 HydrophobicContact CD1-CB 4.04Å; Y252-W330 HydrophobicContact CD1-CG 4.47Å; Y252-W330 HydrophobicContact CD2-CB 3.42Å; Y252-W330 VanDerWaalsContact CD2-CB 3.42Å; Y252-W330 HydrophobicContact CD2-CG 4.24Å; Y252-W330 HydrophobicContact CE1-CB 4.49Å; Y252-W330 HydrophobicContact CE2-CB 4.02Å; Y252-W330 HydrophobicContact CG-CB 3.47Å; Y252-W330 VanDerWaalsContact CG-CB 3.47Å; Y252-W330 HydrophobicContact CG-CD2 4.44Å; Y252-W330 AromaticContact CG-CG 3.88Å; Y252-W330 HydrophobicContact CG-CG 3.88Å; Y252-A332 VanDerWaalsContact OH-CB 3.31Å; Y252-A332 WeakPolarHBondContact OH-CB 3.39Å; Y252-A332 PolarHBondContact OH-N 2.89Å; Y252-P345 HydrophobicContact CD1-CB 3.75Å; Y252-P345 HydrophobicContact CE1-CB 3.94Å; Y252-E418 HydrophobicContact CE2-CG 3.75Å; Y252-E418 PolarHBondContact OH-OE1 2.7Å
253	V	94.6	Very high	86.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.7	178.9	-173.2	0	0	0	0	107.7	E268 F292 I295 V299	V253-E268 WeakPolarHBondContact CA-O 3.36Å; V253-F292 HydrophobicContact CG1-CD2 3.72Å; V253-F292 HydrophobicContact CG1-CE2 3.87Å; V253-I295 HydrophobicContact CG1-CG2 4.41Å; V253-I295 HydrophobicContact CG2-CG2 3.7Å; V253-V299 HydrophobicContact CG2-CG2 3.82Å
254	T	92.4	Very high	86.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	169.3	-172.5	-171.2	0	0	0	0	111.5	M257 E268 H270 R416 E418	T254-M257 HydrophobicContact CG2-CB 4.15Å; T254-M257 HydrophobicContact CG2-CE 3.36Å; T254-M257 HydrophobicContact CG2-SD 4.5Å; T254-M257 VanDerWaalsContact OG1-CE 3.22Å; T254-M257 WeakPolarHBondContact OG1-CE 3.33Å; T254-E268 HydrophobicContact CG2-CB 3.76Å; T254-E268 PolarHBondContact N-O 2.8Å; T254-E268 PolarHBondContact O-N 2.87Å; T254-H270 WeakPolarHBondContact CG2-NE2 3.5Å; T254-R416 PolarHBondContact OG1-NH2 2.78Å; T254-E418 VanDerWaalsContact CA-OE2 3.31Å; T254-E418 WeakPolarHBondContact CA-OE2 3.34Å; T254-E418 WeakPolarHBondContact CB-OE1 3.22Å; T254-E418 PolarHBondContact OG1-OE1 2.98Å; T254-E418 PolarHBondContact OG1-OE2 2.84Å
255	R	88.4	Confident	87	Confident	34 Å²	34	44.2 Å²	44.2	13%	0.128	26%	0.258	C	S	.	.	S	Bend	trans	-130.1	143.2	175.5	-51.1	-173.1	70.1	-170.1	-7.2	109.8	M257 N264 Q266 F292 R416 E418	R255-M257 PolarHBondContact O-N 2.82Å; R255-N264 PolarHBondContact NH2-O 3.22Å; R255-Q266 PolarHBondContact NE-O 2.83Å; R255-Q266 VanDerWaalsContact NE-O 3.13Å; R255-Q266 PolarHBondContact NH2-O 3.11Å; R255-F292 HydrophobicContact CG-CD2 3.63Å; R255-F292 HydrophobicContact CG-CE2 3.98Å; R255-F292 HydrophobicContact CG-CG 4.24Å; R255-R416 PolarHBondContact O-NH2 2.82Å; R255-E418 PolarHBondContact N-OE2 2.91Å
256	S	80.1	Confident	87.3	Confident	46 Å²	46	42.3 Å²	42.3	32%	0.322	24%	0.243	S	C	.	.	S	Bend	trans	54.2	51.2	171.9	-51.5	0	0	0	0	113.3
257	M	81.1	Confident	87.4	Confident	35 Å²	35	42.3 Å²	42.3	17%	0.172	24%	0.243	C	C	.	.	S	Bend	trans	-115.4	-56.4	177.3	-169.1	-163.9	-50.8	0	0	111.6	Y252 T254 R255 E268 A332 W343	Y252-M257 HydrophobicContact CD1-CE 4.04Å; Y252-M257 HydrophobicContact CE1-CE 3.18Å; Y252-M257 HydrophobicContact CE1-SD 4.36Å; Y252-M257 WeakPolarHBondContact OH-CE 3.43Å; T254-M257 HydrophobicContact CG2-CB 4.15Å; T254-M257 HydrophobicContact CG2-CE 3.36Å; T254-M257 HydrophobicContact CG2-SD 4.5Å; T254-M257 VanDerWaalsContact OG1-CE 3.22Å; T254-M257 WeakPolarHBondContact OG1-CE 3.33Å; R255-M257 PolarHBondContact O-N 2.82Å; M257-E268 PolarHBondContact N-OE1 2.84Å; M257-A332 HydrophobicContact CE-CB 4.27Å; M257-W343 HydrophobicContact CG-CB 4.26Å
258	A	74.6	Confident	87.5	Confident	57 Å²	57	39.5 Å²	39.5	47%	0.471	22%	0.224	S	C	.	.	S	Bend	trans	-79.1	-37	178.3	0	0	0	0	0	112.1	E268 I279	A258-E268 VanDerWaalsContact CB-OE2 3.26Å; A258-E268 WeakPolarHBondContact CB-OE2 3.25Å; A258-E268 VanDerWaalsContact N-CD 3.33Å; A258-E268 PolarHBondContact N-OE1 3.31Å; A258-E268 PolarHBondContact N-OE2 2.88Å; A258-I279 HydrophobicContact CB-CD1 4.44Å
259	L	76.6	Confident	87.6	Confident	70 Å²	70	39.5 Å²	39.5	37%	0.366	22%	0.224	S	C	.	.	S	Bend	trans	-128.2	143.9	-178.5	-65.9	177.4	0	0	0	111.5	L31 D261 E268 I279	L31-L259 HydrophobicContact CD2-CD1 3.67Å; L259-D261 PolarHBondContact O-N 3.36Å; L259-E268 PolarHBondContact N-OE1 2.66Å; L259-I279 HydrophobicContact CD1-CD1 3.41Å; L259-I279 VanDerWaalsContact CD1-CD1 3.41Å; L259-I279 HydrophobicContact CG-CD1 3.87Å
260	A	78.5	Confident	87.7	Confident	91 Å²	91	36 Å²	36	75%	0.752	21%	0.209	S	C	*	.			trans	-67	123.6	171.6	0	0	0	0	0	110.1	P262	A260-P262 WeakPolarHBondContact O-CD 3.42Å
261	D	81.8	Confident	87.6	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.053	21%	0.208	C	C	.	.			trans	-122.3	72.8	179.7	-176.4	32.7	0	0	0	111	L259 E263 N264 R265 Q266	L259-D261 PolarHBondContact O-N 3.36Å; D261-E263 PolarHBondContact O-N 3.32Å; D261-E263 VanDerWaalsContact O-N 3.12Å; D261-N264 PolarHBondContact O-N 3.06Å; D261-N264 VanDerWaalsContact O-N 3.08Å; D261-N264 PolarHBondContact OD1-N 3.45Å; D261-N264 WeakPolarHBondContact OD2-CA 3.22Å; D261-N264 PolarHBondContact OD2-N 3.03Å; D261-R265 PolarHBondContact OD1-N 2.84Å; D261-R265 PolarHBondContact OD2-N 3.18Å; D261-Q266 HydrophobicContact CB-CB 4.16Å; D261-Q266 HydrophobicContact CB-CG 4.36Å; D261-Q266 PolarHBondContact OD1-NE2 2.85Å; D261-Q266 WeakPolarHBondContact OD2-CA 3.41Å; D261-Q266 WeakPolarHBondContact OD2-CB 3.29Å; D261-Q266 PolarHBondContact OD2-N 2.9Å
262	P	81.7	Confident	87.4	Confident	114 Å²	114	36.8 Å²	36.8	74%	0.74	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.3	-178.3	25.3	-34.1	0	0	0	112.8	A260	A260-P262 WeakPolarHBondContact O-CD 3.42Å
263	E	84	Confident	87	Confident	112 Å²	112	37.1 Å²	37.1	52%	0.523	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4	-178.8	-60.3	-170.7	-133.4	0	0	113.4	D261 R265	D261-E263 PolarHBondContact O-N 3.32Å; D261-E263 VanDerWaalsContact O-N 3.12Å; E263-R265 HydrophobicContact CB-CG 4.02Å; E263-R265 WeakPolarHBondContact O-CG 3.47Å; E263-R265 PolarHBondContact O-N 3.4Å; E263-R265 IonicContact OE1-NH2 3.05Å; E263-R265 PolarHBondContact OE1-NH2 2.66Å; E263-R265 IonicContact OE2-CZ 3.4Å; E263-R265 IonicContact OE2-NE 3.26Å; E263-R265 PolarHBondContact OE2-NE 3.49Å; E263-R265 IonicContact OE2-NH1 3.49Å; E263-R265 IonicContact OE2-NH2 3.87Å; E263-R265 PolarHBondContact OE2-NH2 2.96Å
264	N	86.5	Confident	86.5	Confident	69 Å²	69	38.4 Å²	38.4	37%	0.369	23%	0.228	S	C	.	.	S	Bend	trans	50.5	42.6	-177.8	-67.2	-66.6	0	0	0	112.5	R255 D261 S285	R255-N264 PolarHBondContact NH2-O 3.22Å; D261-N264 PolarHBondContact O-N 3.06Å; D261-N264 VanDerWaalsContact O-N 3.08Å; D261-N264 PolarHBondContact OD1-N 3.45Å; D261-N264 WeakPolarHBondContact OD2-CA 3.22Å; D261-N264 PolarHBondContact OD2-N 3.03Å; N264-S285 WeakPolarHBondContact CB-OG 3.37Å; N264-S285 WeakPolarHBondContact O-CA 3.16Å; N264-S285 WeakPolarHBondContact O-CB 3.49Å; N264-S285 PolarHBondContact O-OG 2.7Å
265	R	92.4	Very high	86.1	Confident	65 Å²	65	46.3 Å²	46.3	25%	0.245	26%	0.262	C	S	.	.			trans	-107.6	-1.4	-179.9	-64.4	-167.3	-69.9	164.6	-0.1	113.7	D261 E263 R281 S282 K283	D261-R265 PolarHBondContact OD1-N 2.84Å; D261-R265 PolarHBondContact OD2-N 3.18Å; E263-R265 HydrophobicContact CB-CG 4.02Å; E263-R265 WeakPolarHBondContact O-CG 3.47Å; E263-R265 PolarHBondContact O-N 3.4Å; E263-R265 IonicContact OE1-NH2 3.05Å; E263-R265 PolarHBondContact OE1-NH2 2.66Å; E263-R265 IonicContact OE2-CZ 3.4Å; E263-R265 IonicContact OE2-NE 3.26Å; E263-R265 PolarHBondContact OE2-NE 3.49Å; E263-R265 IonicContact OE2-NH1 3.49Å; E263-R265 IonicContact OE2-NH2 3.87Å; E263-R265 PolarHBondContact OE2-NH2 2.96Å; R265-R281 HydrophobicContact CB-CG 4.27Å; R265-R281 WeakPolarHBondContact O-CA 2.99Å; R265-S282 PolarHBondContact O-N 3.17Å; R265-S282 PolarHBondContact O-OG 3.05Å; R265-K283 WeakPolarHBondContact CD-O 3.26Å; R265-K283 PolarHBondContact NH1-O 3.26Å
266	Q	92.1	Very high	86	Confident	25 Å²	25	47 Å²	47	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.7	-172.9	-58.3	170.4	58.4	0	0	111.2	W36 R255 D261 L280 R281	W36-Q266 HydrophobicContact CH2-CG 4.35Å; R255-Q266 PolarHBondContact NE-O 2.83Å; R255-Q266 VanDerWaalsContact NE-O 3.13Å; R255-Q266 PolarHBondContact NH2-O 3.11Å; D261-Q266 HydrophobicContact CB-CB 4.16Å; D261-Q266 HydrophobicContact CB-CG 4.36Å; D261-Q266 PolarHBondContact OD1-NE2 2.85Å; D261-Q266 WeakPolarHBondContact OD2-CA 3.41Å; D261-Q266 WeakPolarHBondContact OD2-CB 3.29Å; D261-Q266 PolarHBondContact OD2-N 2.9Å; Q266-L280 CarbonylContact C-O 3.53Å; Q266-L280 VanDerWaalsContact CA-O 3.26Å; Q266-L280 WeakPolarHBondContact CA-O 3.41Å; Q266-R281 HydrophobicContact CG-CB 4.18Å; Q266-R281 HydrophobicContact CG-CG 4.15Å
267	L	94	Very high	86.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.4	165.1	62.9	142.7	0	0	0	109.2	L280 W291 I295	L267-L280 HydrophobicContact CD1-CD1 4.34Å; L267-L280 HydrophobicContact CD2-CB 4.05Å; L267-L280 HydrophobicContact CG-CB 4.06Å; L267-L280 PolarHBondContact N-O 3.43Å; L267-L280 PolarHBondContact O-N 2.8Å; L267-W291 HydrophobicContact CD2-CB 4.23Å; L267-I295 HydrophobicContact CD1-CD1 3.68Å
268	E	93.1	Very high	87	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.3	-177.8	-56.9	171.6	-154.1	0	0	108.9	V253 T254 M257 A258 L259 H270 T277 V278 I279	V253-E268 WeakPolarHBondContact CA-O 3.36Å; T254-E268 HydrophobicContact CG2-CB 3.76Å; T254-E268 PolarHBondContact N-O 2.8Å; T254-E268 PolarHBondContact O-N 2.87Å; M257-E268 PolarHBondContact N-OE1 2.84Å; A258-E268 VanDerWaalsContact CB-OE2 3.26Å; A258-E268 WeakPolarHBondContact CB-OE2 3.25Å; A258-E268 VanDerWaalsContact N-CD 3.33Å; A258-E268 PolarHBondContact N-OE1 3.31Å; A258-E268 PolarHBondContact N-OE2 2.88Å; L259-E268 PolarHBondContact N-OE1 2.66Å; E268-H270 IonicContact OE2-CE1 2.75Å; E268-H270 IonicContact OE2-NE2 2.84Å; E268-H270 PolarHBondContact OE2-NE2 3.05Å; E268-T277 HydrophobicContact CB-CG2 4.23Å; E268-V278 WeakPolarHBondContact CA-O 3.25Å; E268-I279 HydrophobicContact CG-CG1 4.2Å; E268-I279 HydrophobicContact CG-CG2 4.38Å
269	I	94.6	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	110.9	176.5	-51.4	173.4	0	0	0	106.9	L48 W214 C251 Y252 T277 V278 L280 I295	L48-I269 HydrophobicContact CD2-CD1 3.46Å; L48-I269 VanDerWaalsContact CD2-CD1 3.46Å; W214-I269 HydrophobicContact CH2-CG2 4.06Å; C251-I269 HydrophobicContact CB-CG2 3.97Å; Y252-I269 WeakPolarHBondContact O-CA 3.12Å; I269-T277 WeakPolarHBondContact O-CA 3.41Å; I269-V278 PolarHBondContact N-O 3.03Å; I269-V278 PolarHBondContact O-N 2.95Å; I269-L280 HydrophobicContact CD1-CD1 4.02Å; I269-I295 HydrophobicContact CD1-CD1 4.04Å; I269-I295 HydrophobicContact CD1-CG2 4.37Å
270	H	92.8	Very high	88.7	Confident	10 Å²	10	41 Å²	41	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.3	178.4	-61	-101.1	0	0	0	109.9	C251 Y252 T254 E268 H276 T277	C251-H270 WeakPolarHBondContact CA-O 3.33Å; Y252-H270 PolarHBondContact N-O 2.8Å; Y252-H270 PolarHBondContact O-N 3.28Å; T254-H270 WeakPolarHBondContact CG2-NE2 3.5Å; E268-H270 IonicContact OE2-CE1 2.75Å; E268-H270 IonicContact OE2-NE2 2.84Å; E268-H270 PolarHBondContact OE2-NE2 3.05Å; H270-H276 CarbonylContact C-O 3.33Å; H270-H276 WeakPolarHBondContact CA-O 3.36Å; H270-T277 VanDerWaalsContact CE1-CG2 3.43Å; H270-T277 WeakPolarHBondContact CE1-CG2 3.3Å; H270-T277 PolarHBondContact CE1-OG1 3.46Å; H270-T277 VanDerWaalsContact CE1-OG1 3.3Å; H270-T277 PolarHBondContact ND1-OG1 3.45Å
271	S	91.2	Very high	89.5	Confident	1 Å²	1	39 Å²	39	1%	0.007	20%	0.199	C	C	.	.			trans	-65	160.2	177.3	56.2	0	0	0	0	111.7	D273 A274 K275 H276	S271-D273 WeakPolarHBondContact CB-OD1 3.45Å; S271-D273 PolarHBondContact O-N 2.85Å; S271-D273 PolarHBondContact OG-OD1 3.14Å; S271-A274 WeakPolarHBondContact O-CA 3.44Å; S271-A274 PolarHBondContact O-N 3.34Å; S271-K275 PolarHBondContact OG-N 2.89Å; S271-H276 PolarHBondContact N-O 3.07Å; S271-H276 WeakPolarHBondContact OG-CB 3.22Å; S271-H276 PolarHBondContact OG-N 3.09Å; S271-H276 PolarHBondContact OG-O 3.41Å
272	P	90.5	Very high	90.1	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.136	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.2	178.3	-25.7	35	0	0	0	115.1	K249 M250 W330 M361	K249-P272 VanDerWaalsContact O-CG 3.26Å; K249-P272 WeakPolarHBondContact O-CG 3.24Å; M250-P272 HydrophobicContact CB-CB 3.97Å; M250-P272 HydrophobicContact CB-CG 4.08Å; M250-P272 WeakPolarHBondContact O-CA 3.46Å; P272-W330 VanDerWaalsContact O-CZ2 3.29Å; P272-W330 WeakPolarHBondContact O-CZ2 3.35Å; P272-M361 HydrophobicContact CB-CB 4.03Å; P272-M361 WeakPolarHBondContact O-CB 3.49Å; P272-M361 PolarHBondContact O-N 3.27Å
273	D	85.1	Confident	90.6	Very high	15 Å²	15	41 Å²	41	8%	0.08	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4	172.5	58.4	5.1	0	0	0	114.1	S271 K275 H276 R363	S271-D273 WeakPolarHBondContact CB-OD1 3.45Å; S271-D273 PolarHBondContact O-N 2.85Å; S271-D273 PolarHBondContact OG-OD1 3.14Å; D273-K275 HydrophobicContact CB-CG 4.43Å; D273-K275 PolarHBondContact O-N 3.41Å; D273-K275 VanDerWaalsContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 3.48Å; D273-H276 IonicContact OD1-ND1 3.75Å; D273-R363 IonicContact OD2-NH2 3.79Å; D273-R363 PolarHBondContact OD2-NH2 2.86Å
274	A	85.8	Confident	91	Very high	30 Å²	30	38.2 Å²	38.2	25%	0.248	19%	0.185	C	C	.	.	S	Bend	trans	56.4	18.8	-176.4	0	0	0	0	0	114.8	S271 W330 P345	S271-A274 WeakPolarHBondContact O-CA 3.44Å; S271-A274 PolarHBondContact O-N 3.34Å; A274-W330 HydrophobicContact CB-CH2 4.22Å; A274-W330 HydrophobicContact CB-CZ3 4.46Å; A274-P345 HydrophobicContact CB-CB 4.36Å; A274-P345 HydrophobicContact CB-CG 3.78Å
275	K	84.2	Confident	91.3	Very high	166 Å²	166	37.2 Å²	37.2	72%	0.722	18%	0.183	S	C	*	.			trans	-98.4	-25.4	-178.2	-68.6	-178	-178.1	-176.6	0	114.2	S271 D273	S271-K275 PolarHBondContact OG-N 2.89Å; D273-K275 HydrophobicContact CB-CG 4.43Å; D273-K275 PolarHBondContact O-N 3.41Å; D273-K275 VanDerWaalsContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 3.48Å
276	H	85.5	Confident	91.3	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.227	20%	0.201	C	C	.	.			trans	-118.2	135.3	-177.4	-53.9	95.2	0	0	0	109.3	G213 W214 E215 H270 S271 D273	G213-H276 WeakPolarHBondContact O-CB 3.25Å; G213-H276 PolarHBondContact O-CD2 3.35Å; W214-H276 HydrophobicContact CE3-CB 4.35Å; E215-H276 PolarHBondContact O-CE1 3.11Å; H270-H276 CarbonylContact C-O 3.33Å; H270-H276 WeakPolarHBondContact CA-O 3.36Å; S271-H276 PolarHBondContact N-O 3.07Å; S271-H276 WeakPolarHBondContact OG-CB 3.22Å; S271-H276 PolarHBondContact OG-N 3.09Å; S271-H276 PolarHBondContact OG-O 3.41Å; D273-H276 IonicContact OD1-ND1 3.75Å
277	T	90.3	Very high	91.4	Very high	60 Å²	60	38 Å²	38	37%	0.368	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.3	-179.9	-50.5	0	0	0	0	109.3	E268 I269 H270 I279	E268-T277 HydrophobicContact CB-CG2 4.23Å; I269-T277 WeakPolarHBondContact O-CA 3.41Å; H270-T277 VanDerWaalsContact CE1-CG2 3.43Å; H270-T277 WeakPolarHBondContact CE1-CG2 3.3Å; H270-T277 PolarHBondContact CE1-OG1 3.46Å; H270-T277 VanDerWaalsContact CE1-OG1 3.3Å; H270-T277 PolarHBondContact ND1-OG1 3.45Å; T277-I279 HydrophobicContact CG2-CG1 3.97Å
278	V	91.4	Very high	91.4	Very high	5 Å²	5	38 Å²	38	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.2	170.8	173.3	0	0	0	0	108	V30 L50 I212 W214 I246 E268 I269 L280	V30-V278 HydrophobicContact CG2-CG1 4.03Å; L50-V278 HydrophobicContact CD1-CG1 4.17Å; I212-V278 HydrophobicContact CG2-CG2 3.67Å; W214-V278 HydrophobicContact CE3-CG2 3.69Å; W214-V278 HydrophobicContact CZ3-CB 4.39Å; W214-V278 HydrophobicContact CZ3-CG2 3.75Å; I246-V278 HydrophobicContact CD1-CB 4.3Å; I246-V278 HydrophobicContact CD1-CG1 4.15Å; I246-V278 HydrophobicContact CD1-CG2 3.83Å; E268-V278 WeakPolarHBondContact CA-O 3.25Å; I269-V278 PolarHBondContact N-O 3.03Å; I269-V278 PolarHBondContact O-N 2.95Å; V278-L280 HydrophobicContact CG1-CD2 3.9Å; V278-L280 HydrophobicContact CG1-CG 4.15Å
279	I	93.2	Very high	91.4	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.4	179.9	-50.3	-174.4	0	0	0	108.2	V30 L31 W36 A258 L259 E268 T277	V30-I279 WeakPolarHBondContact CA-O 3.48Å; L31-I279 HydrophobicContact CB-CB 4.12Å; L31-I279 HydrophobicContact CD2-CD1 4.14Å; L31-I279 PolarHBondContact N-O 2.56Å; W36-I279 HydrophobicContact CH2-CG2 3.99Å; A258-I279 HydrophobicContact CB-CD1 4.44Å; L259-I279 HydrophobicContact CD1-CD1 3.41Å; L259-I279 VanDerWaalsContact CD1-CD1 3.41Å; L259-I279 HydrophobicContact CG-CD1 3.87Å; E268-I279 HydrophobicContact CG-CG1 4.2Å; E268-I279 HydrophobicContact CG-CG2 4.38Å; T277-I279 HydrophobicContact CG2-CG1 3.97Å
280	L	94.1	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.1	178.7	-55.5	174.5	0	0	0	109.8	L28 E29 V30 L48 L50 Q266 L267 I269 V278	L28-L280 HydrophobicContact CD1-CB 4.33Å; L28-L280 HydrophobicContact CD1-CD1 4.16Å; E29-L280 CarbonylContact O-C 3.5Å; E29-L280 VanDerWaalsContact O-CA 3.29Å; E29-L280 WeakPolarHBondContact O-CA 3.49Å; V30-L280 HydrophobicContact CB-CD2 3.86Å; V30-L280 HydrophobicContact CG2-CD2 3.93Å; L48-L280 HydrophobicContact CD2-CD1 3.87Å; L50-L280 HydrophobicContact CD2-CD2 4.17Å; Q266-L280 CarbonylContact C-O 3.53Å; Q266-L280 VanDerWaalsContact CA-O 3.26Å; Q266-L280 WeakPolarHBondContact CA-O 3.41Å; L267-L280 HydrophobicContact CD1-CD1 4.34Å; L267-L280 HydrophobicContact CD2-CB 4.05Å; L267-L280 HydrophobicContact CG-CB 4.06Å; L267-L280 PolarHBondContact N-O 3.43Å; L267-L280 PolarHBondContact O-N 2.8Å; I269-L280 HydrophobicContact CD1-CD1 4.02Å; V278-L280 HydrophobicContact CG1-CD2 3.9Å; V278-L280 HydrophobicContact CG1-CG 4.15Å
281	R	94.5	Very high	91.5	Very high	49 Å²	49	43.3 Å²	43.3	19%	0.185	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135	175.4	-176.9	176	73.1	-172.5	0.5	110.4	E29 W36 R265 Q266	E29-R281 HydrophobicContact CB-CB 4.35Å; E29-R281 PolarHBondContact N-O 2.89Å; E29-R281 PolarHBondContact O-N 2.78Å; E29-R281 IonicContact OE1-NH2 3.17Å; E29-R281 PolarHBondContact OE1-NH2 3.35Å; E29-R281 IonicContact OE2-CZ 3.22Å; E29-R281 IonicContact OE2-NE 2.7Å; E29-R281 PolarHBondContact OE2-NE 3.24Å; E29-R281 IonicContact OE2-NH2 3.52Å; E29-R281 PolarHBondContact OE2-NH2 2.96Å; W36-R281 VanDerWaalsContact CD1-NH1 3.32Å; W36-R281 VanDerWaalsContact CD2-CZ 3.48Å; W36-R281 VanDerWaalsContact CE2-NH1 3.29Å; W36-R281 HydrophobicContact CE3-CB 3.82Å; W36-R281 VanDerWaalsContact CG-CZ 3.49Å; W36-R281 VanDerWaalsContact CG-NH2 3.26Å; W36-R281 HydrophobicContact CH2-CB 3.57Å; W36-R281 HydrophobicContact CH2-CG 4.43Å; W36-R281 HydrophobicContact CZ2-CB 4.34Å; W36-R281 HydrophobicContact CZ3-CB 3.28Å; W36-R281 HydrophobicContact CZ3-CG 4.43Å; R265-R281 HydrophobicContact CB-CG 4.27Å; R265-R281 WeakPolarHBondContact O-CA 2.99Å; Q266-R281 HydrophobicContact CG-CB 4.18Å; Q266-R281 HydrophobicContact CG-CG 4.15Å
282	S	94.2	Very high	91.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.236	C	C	.	.			trans	-102.1	168.4	172.8	59.3	0	0	0	0	111.9	R265 D284 A288	R265-S282 PolarHBondContact O-N 3.17Å; R265-S282 PolarHBondContact O-OG 3.05Å; S282-D284 VanDerWaalsContact C-N 3.28Å; S282-D284 PolarHBondContact O-N 3.34Å; S282-D284 PolarHBondContact OG-O 3.07Å; S282-A288 WeakPolarHBondContact OG-CA 3.26Å; S282-A288 WeakPolarHBondContact OG-CB 3.32Å; S282-A288 PolarHBondContact OG-N 3.4Å
283	K	92.4	Very high	91.9	Very high	166 Å²	166	45.1 Å²	45.1	72%	0.722	25%	0.249	S	C	*	.	S	Bend	trans	-59.8	-37.3	177.8	73	-171.8	-177.5	175.7	0	113	R265 T287	R265-K283 WeakPolarHBondContact CD-O 3.26Å; R265-K283 PolarHBondContact NH1-O 3.26Å; K283-T287 WeakPolarHBondContact CE-OG1 3.32Å
284	D	92.9	Very high	92.3	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	25%	0.252	S	S	.	.	S	Bend	trans	-146.8	166.1	-175.3	71.5	80.6	0	0	0	111.4	S282 A286 T287 A288	S282-D284 VanDerWaalsContact C-N 3.28Å; S282-D284 PolarHBondContact O-N 3.34Å; S282-D284 PolarHBondContact OG-O 3.07Å; D284-A286 WeakPolarHBondContact OD1-CA 3.32Å; D284-A286 WeakPolarHBondContact OD1-CB 3.27Å; D284-A286 PolarHBondContact OD1-N 3.31Å; D284-T287 PolarHBondContact O-N 3.31Å; D284-T287 PolarHBondContact OD1-N 3.19Å; D284-T287 PolarHBondContact OD1-OG1 3.37Å; D284-T287 WeakPolarHBondContact OD2-CB 3.29Å; D284-T287 PolarHBondContact OD2-OG1 2.93Å; D284-A288 PolarHBondContact O-N 2.88Å; D284-A288 VanDerWaalsContact O-N 3.07Å
285	S	92.5	Very high	92.8	Very high	48 Å²	48	43.9 Å²	43.9	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-68.2	-34.4	-175	-173.8	0	0	0	0	114.3	N264 A288 Q289	N264-S285 WeakPolarHBondContact CB-OG 3.37Å; N264-S285 WeakPolarHBondContact O-CA 3.16Å; N264-S285 WeakPolarHBondContact O-CB 3.49Å; N264-S285 PolarHBondContact O-OG 2.7Å; S285-A288 WeakPolarHBondContact O-CB 3.46Å; S285-A288 PolarHBondContact O-N 3.48Å; S285-Q289 PolarHBondContact O-N 2.91Å
286	A	93.1	Very high	93.3	Very high	74 Å²	74	37 Å²	37	61%	0.612	21%	0.21	S	C	*	.	H	α-helix	trans	-68.6	-40.7	177.8	0	0	0	0	0	110.9	D284 A288 Q289 A290	D284-A286 WeakPolarHBondContact OD1-CA 3.32Å; D284-A286 WeakPolarHBondContact OD1-CB 3.27Å; D284-A286 PolarHBondContact OD1-N 3.31Å; A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 3.2Å; A286-Q289 PolarHBondContact O-N 2.91Å; A286-A290 WeakPolarHBondContact O-CB 3.07Å; A286-A290 PolarHBondContact O-N 3.24Å
287	T	94.3	Very high	93.6	Very high	33 Å²	33	37.4 Å²	37.4	20%	0.202	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-40	173.1	-60.3	0	0	0	0	111.1	K283 D284 A290 W291	K283-T287 WeakPolarHBondContact CE-OG1 3.32Å; D284-T287 PolarHBondContact O-N 3.31Å; D284-T287 PolarHBondContact OD1-N 3.19Å; D284-T287 PolarHBondContact OD1-OG1 3.37Å; D284-T287 WeakPolarHBondContact OD2-CB 3.29Å; D284-T287 PolarHBondContact OD2-OG1 2.93Å; T287-A290 PolarHBondContact O-N 2.98Å; T287-W291 VanDerWaalsContact O-CD1 3.27Å; T287-W291 PolarHBondContact O-N 3.19Å
288	A	93.6	Very high	93.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-50.5	175.7	0	0	0	0	0	110.7	S282 D284 S285 A286 A290 W291 F292	S282-A288 WeakPolarHBondContact OG-CA 3.26Å; S282-A288 WeakPolarHBondContact OG-CB 3.32Å; S282-A288 PolarHBondContact OG-N 3.4Å; D284-A288 PolarHBondContact O-N 2.88Å; D284-A288 VanDerWaalsContact O-N 3.07Å; S285-A288 WeakPolarHBondContact O-CB 3.46Å; S285-A288 PolarHBondContact O-N 3.48Å; A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 3.2Å; A288-A290 VanDerWaalsContact C-N 3.3Å; A288-A290 PolarHBondContact O-N 2.79Å; A288-W291 PolarHBondContact O-N 3.47Å; A288-F292 WeakPolarHBondContact O-CB 3.47Å; A288-F292 PolarHBondContact O-N 2.87Å
289	Q	92.6	Very high	93.9	Very high	77 Å²	77	35.6 Å²	35.6	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-40.1	179.3	-175.2	60	33.4	0	0	111.5	S285 A286 F292 S293	S285-Q289 PolarHBondContact O-N 2.91Å; A286-Q289 PolarHBondContact O-N 2.91Å; Q289-F292 PolarHBondContact O-N 2.96Å; Q289-S293 PolarHBondContact NE2-OG 2.99Å; Q289-S293 WeakPolarHBondContact O-CB 3.45Å; Q289-S293 PolarHBondContact O-N 2.51Å; Q289-S293 PolarHBondContact O-OG 3.42Å; Q289-S293 VanDerWaalsContact O-OG 3.06Å
290	A	94.4	Very high	93.8	Very high	37 Å²	37	37.1 Å²	37.1	31%	0.306	22%	0.215	S	C	.	.	H	α-helix	trans	-65.1	-40.4	177.9	0	0	0	0	0	111.9	R24 A286 T287 A288 A294	R24-A290 PolarHBondContact NH1-O 3.34Å; R24-A290 VanDerWaalsContact NH2-CB 3.3Å; A286-A290 WeakPolarHBondContact O-CB 3.07Å; A286-A290 PolarHBondContact O-N 3.24Å; T287-A290 PolarHBondContact O-N 2.98Å; A288-A290 VanDerWaalsContact C-N 3.3Å; A288-A290 PolarHBondContact O-N 2.79Å; A290-A294 WeakPolarHBondContact O-CB 3.25Å; A290-A294 PolarHBondContact O-N 2.84Å
291	W	95.6	Very high	93.6	Very high	7 Å²	7	42 Å²	42	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-45.6	174	-85.2	108.5	0	0	0	112	R24 L28 V41 L43 L267 T287 A288 S293 A294 I295	R24-W291 HydrophobicContact CB-CH2 4.31Å; R24-W291 HydrophobicContact CB-CZ3 4.26Å; R24-W291 HydrophobicContact CG-CE3 4.37Å; R24-W291 HydrophobicContact CG-CH2 3.68Å; R24-W291 HydrophobicContact CG-CZ2 4.02Å; R24-W291 HydrophobicContact CG-CZ3 3.87Å; L28-W291 HydrophobicContact CD1-CD2 3.9Å; L28-W291 HydrophobicContact CD1-CE3 4.44Å; L28-W291 HydrophobicContact CD1-CG 4.02Å; L28-W291 HydrophobicContact CD1-CZ2 4.37Å; L28-W291 HydrophobicContact CD2-CG 4.49Å; V41-W291 HydrophobicContact CB-CH2 4.13Å; V41-W291 HydrophobicContact CG1-CH2 3.99Å; V41-W291 HydrophobicContact CG1-CZ3 3.94Å; L43-W291 HydrophobicContact CB-CZ3 4.07Å; L267-W291 HydrophobicContact CD2-CB 4.23Å; T287-W291 VanDerWaalsContact O-CD1 3.27Å; T287-W291 PolarHBondContact O-N 3.19Å; A288-W291 PolarHBondContact O-N 3.47Å; W291-S293 PolarHBondContact O-N 3.3Å; W291-A294 PolarHBondContact O-N 2.92Å; W291-I295 HydrophobicContact CE3-CD1 4.32Å; W291-I295 HydrophobicContact CE3-CG1 4.49Å; W291-I295 VanDerWaalsContact O-CG1 3.32Å; W291-I295 WeakPolarHBondContact O-CG1 3.45Å; W291-I295 PolarHBondContact O-N 2.82Å
292	F	95	Very high	93.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-53.5	-54	174.1	168.9	-90	0	0	0	111	V253 R255 A288 Q289 A294 I295 H296 E418 T419	V253-F292 HydrophobicContact CG1-CD2 3.72Å; V253-F292 HydrophobicContact CG1-CE2 3.87Å; R255-F292 HydrophobicContact CG-CD2 3.63Å; R255-F292 HydrophobicContact CG-CE2 3.98Å; R255-F292 HydrophobicContact CG-CG 4.24Å; A288-F292 WeakPolarHBondContact O-CB 3.47Å; A288-F292 PolarHBondContact O-N 2.87Å; Q289-F292 PolarHBondContact O-N 2.96Å; F292-A294 VanDerWaalsContact C-N 3.29Å; F292-A294 PolarHBondContact O-N 3.4Å; F292-I295 PolarHBondContact O-N 2.83Å; F292-H296 HydrophobicContact CE1-CB 4.34Å; F292-H296 HydrophobicContact CZ-CB 4.21Å; F292-H296 AromaticContact CZ-CD2 3.68Å; F292-H296 WeakPolarHBondContact O-CB 3.37Å; F292-H296 PolarHBondContact O-N 3.39Å; F292-E418 HydrophobicContact CE2-CB 4.33Å; F292-E418 HydrophobicContact CZ-CB 3.79Å; F292-T419 HydrophobicContact CE1-CG2 3.85Å; F292-T419 HydrophobicContact CZ-CG2 4.13Å
293	S	94.3	Very high	93.4	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-38.6	-179.5	-64.7	0	0	0	0	112.5	Q289 W291 S297	Q289-S293 PolarHBondContact NE2-OG 2.99Å; Q289-S293 WeakPolarHBondContact O-CB 3.45Å; Q289-S293 PolarHBondContact O-N 2.51Å; Q289-S293 PolarHBondContact O-OG 3.42Å; Q289-S293 VanDerWaalsContact O-OG 3.06Å; W291-S293 PolarHBondContact O-N 3.3Å; S293-S297 VanDerWaalsContact O-CB 3.29Å; S293-S297 WeakPolarHBondContact O-CB 3.48Å; S293-S297 PolarHBondContact O-N 3.23Å
294	A	95.3	Very high	93.1	Very high	18 Å²	18	38.2 Å²	38.2	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-49	179.3	0	0	0	0	0	112	L43 A290 W291 F292 S297 N298	L43-A294 HydrophobicContact CD2-CB 3.75Å; A290-A294 WeakPolarHBondContact O-CB 3.25Å; A290-A294 PolarHBondContact O-N 2.84Å; W291-A294 PolarHBondContact O-N 2.92Å; F292-A294 VanDerWaalsContact C-N 3.29Å; F292-A294 PolarHBondContact O-N 3.4Å; A294-S297 PolarHBondContact O-N 2.91Å; A294-N298 PolarHBondContact O-N 3.21Å; A294-N298 VanDerWaalsContact O-N 3.17Å; A294-N298 PolarHBondContact O-OD1 3.15Å
295	I	95.3	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-43.9	-179.8	-58.8	170.5	0	0	0	110	L43 L48 L248 V253 L267 I269 W291 F292 S297 N298 V299	L43-I295 HydrophobicContact CD1-CG1 4.13Å; L43-I295 HydrophobicContact CD2-CG1 3.98Å; L48-I295 HydrophobicContact CD1-CD1 4.09Å; L48-I295 HydrophobicContact CD1-CG1 4.38Å; L48-I295 HydrophobicContact CD2-CD1 4.38Å; L248-I295 HydrophobicContact CD2-CG2 3.82Å; V253-I295 HydrophobicContact CG1-CG2 4.41Å; V253-I295 HydrophobicContact CG2-CG2 3.7Å; L267-I295 HydrophobicContact CD1-CD1 3.68Å; I269-I295 HydrophobicContact CD1-CD1 4.04Å; I269-I295 HydrophobicContact CD1-CG2 4.37Å; W291-I295 HydrophobicContact CE3-CD1 4.32Å; W291-I295 HydrophobicContact CE3-CG1 4.49Å; W291-I295 VanDerWaalsContact O-CG1 3.32Å; W291-I295 WeakPolarHBondContact O-CG1 3.45Å; W291-I295 PolarHBondContact O-N 2.82Å; F292-I295 PolarHBondContact O-N 2.83Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 2.96Å; I295-N298 PolarHBondContact O-N 3Å; I295-V299 HydrophobicContact CG2-CG2 4.48Å; I295-V299 WeakPolarHBondContact O-CG2 3.42Å; I295-V299 PolarHBondContact O-N 3.18Å
296	H	94	Very high	93	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-39.3	178.2	-170.7	-79	0	0	0	112.2	F292 V299 N300 D422	F292-H296 HydrophobicContact CE1-CB 4.34Å; F292-H296 HydrophobicContact CZ-CB 4.21Å; F292-H296 AromaticContact CZ-CD2 3.68Å; F292-H296 WeakPolarHBondContact O-CB 3.37Å; F292-H296 PolarHBondContact O-N 3.39Å; H296-V299 PolarHBondContact O-N 3.03Å; H296-N300 PolarHBondContact CE1-ND2 2.86Å; H296-N300 PolarHBondContact ND1-ND2 3.27Å; H296-N300 WeakPolarHBondContact O-CB 3.37Å; H296-N300 PolarHBondContact O-N 2.8Å; H296-D422 IonicContact CE1-OD1 3.62Å; H296-D422 IonicContact CE1-OD2 3.28Å; H296-D422 PolarHBondContact CE1-OD2 3.01Å; H296-D422 IonicContact NE2-OD2 4Å; H296-D422 PolarHBondContact NE2-OD2 2.8Å
297	S	93.2	Very high	92.8	Very high	57 Å²	57	38 Å²	38	40%	0.399	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-47.8	173.7	-165.5	0	0	0	0	111.6	S293 A294 I295 V299 N300 D301	S293-S297 VanDerWaalsContact O-CB 3.29Å; S293-S297 WeakPolarHBondContact O-CB 3.48Å; S293-S297 PolarHBondContact O-N 3.23Å; A294-S297 PolarHBondContact O-N 2.91Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 2.96Å; S297-V299 VanDerWaalsContact C-N 3.34Å; S297-V299 PolarHBondContact O-N 3.33Å; S297-N300 PolarHBondContact O-N 2.93Å; S297-D301 VanDerWaalsContact O-CG 3.31Å; S297-D301 PolarHBondContact O-N 3.18Å
298	N	93.6	Very high	92.6	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-41.8	179.3	-70.3	15.6	0	0	0	111.6	L43 S44 L248 A294 I295 D301 L302	L43-N298 WeakPolarHBondContact CG-ND2 3.18Å; S44-N298 PolarHBondContact O-ND2 2.99Å; L248-N298 HydrophobicContact CD1-CB 4.14Å; A294-N298 PolarHBondContact O-N 3.21Å; A294-N298 VanDerWaalsContact O-N 3.17Å; A294-N298 PolarHBondContact O-OD1 3.15Å; I295-N298 PolarHBondContact O-N 3Å; N298-D301 PolarHBondContact O-N 3.11Å; N298-L302 VanDerWaalsContact O-CG 3.31Å; N298-L302 WeakPolarHBondContact O-CG 3.45Å; N298-L302 PolarHBondContact O-N 3.04Å; N298-L302 VanDerWaalsContact O-N 3.16Å
299	V	93.2	Very high	92.4	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175	171.1	0	0	0	0	111.1	L248 C251 V253 I295 H296 S297 D301 L302 L303	L248-V299 HydrophobicContact CB-CG2 4.04Å; L248-V299 HydrophobicContact CD2-CG2 4.36Å; C251-V299 HydrophobicContact CB-CG2 4.38Å; C251-V299 VanDerWaalsContact O-CG1 3.29Å; C251-V299 WeakPolarHBondContact O-CG1 3.44Å; V253-V299 HydrophobicContact CG2-CG2 3.82Å; I295-V299 HydrophobicContact CG2-CG2 4.48Å; I295-V299 WeakPolarHBondContact O-CG2 3.42Å; I295-V299 PolarHBondContact O-N 3.18Å; H296-V299 PolarHBondContact O-N 3.03Å; S297-V299 VanDerWaalsContact C-N 3.34Å; S297-V299 PolarHBondContact O-N 3.33Å; V299-D301 VanDerWaalsContact C-N 3.33Å; V299-D301 PolarHBondContact O-N 3.16Å; V299-L302 WeakPolarHBondContact O-CB 3.48Å; V299-L302 PolarHBondContact O-N 3.27Å; V299-L302 VanDerWaalsContact O-N 3.13Å; V299-L303 PolarHBondContact O-N 3.14Å; V299-L303 VanDerWaalsContact O-N 3.11Å
300	N	91.5	Very high	92.1	Very high	48 Å²	48	39.2 Å²	39.2	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-37.2	178.8	-86.7	-8	0	0	0	112.8	H296 S297 L302 L303 D422	H296-N300 PolarHBondContact CE1-ND2 2.86Å; H296-N300 PolarHBondContact ND1-ND2 3.27Å; H296-N300 WeakPolarHBondContact O-CB 3.37Å; H296-N300 PolarHBondContact O-N 2.8Å; S297-N300 PolarHBondContact O-N 2.93Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 3.35Å; N300-L303 WeakPolarHBondContact O-CB 3.19Å; N300-L303 PolarHBondContact O-N 3.25Å; N300-L303 VanDerWaalsContact O-N 3.16Å; N300-L303 WeakPolarHBondContact OD1-CD1 3.48Å; N300-D422 PolarHBondContact ND2-OD1 3.43Å
301	D	91	Very high	91.8	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-64.1	-35	175.4	-69.7	-22.7	0	0	0	111.6	S297 N298 V299	S297-D301 VanDerWaalsContact O-CG 3.31Å; S297-D301 PolarHBondContact O-N 3.18Å; N298-D301 PolarHBondContact O-N 3.11Å; V299-D301 VanDerWaalsContact C-N 3.33Å; V299-D301 PolarHBondContact O-N 3.16Å
302	L	92.3	Very high	91.3	Very high	17 Å²	17	49.1 Å²	49.1	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-29.2	174.3	-64.1	169.1	0	0	0	112.7	L248 K249 N298 V299 N300 T304 R305 V306	L248-L302 HydrophobicContact CB-CD1 3.91Å; K249-L302 HydrophobicContact CB-CD1 4.46Å; N298-L302 VanDerWaalsContact O-CG 3.31Å; N298-L302 WeakPolarHBondContact O-CG 3.45Å; N298-L302 PolarHBondContact O-N 3.04Å; N298-L302 VanDerWaalsContact O-N 3.16Å; V299-L302 WeakPolarHBondContact O-CB 3.48Å; V299-L302 PolarHBondContact O-N 3.27Å; V299-L302 VanDerWaalsContact O-N 3.13Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 3.35Å; L302-T304 VanDerWaalsContact C-N 3.26Å; L302-T304 PolarHBondContact O-N 3.21Å; L302-R305 WeakPolarHBondContact O-CB 3.41Å; L302-R305 PolarHBondContact O-N 2.72Å; L302-V306 WeakPolarHBondContact O-CG2 3.47Å; L302-V306 PolarHBondContact O-N 3.16Å
303	L	90.8	Very high	90.7	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-38.6	-179.7	-68.4	-179.7	0	0	0	112.4	M250 V299 N300 R305 V306 I307 L328	M250-L303 HydrophobicContact CE-CD2 4.2Å; M250-L303 HydrophobicContact SD-CD2 3.37Å; M250-L303 WeakPolarHBondContact SD-CD2 3.34Å; V299-L303 PolarHBondContact O-N 3.14Å; V299-L303 VanDerWaalsContact O-N 3.11Å; N300-L303 WeakPolarHBondContact O-CB 3.19Å; N300-L303 PolarHBondContact O-N 3.25Å; N300-L303 VanDerWaalsContact O-N 3.16Å; N300-L303 WeakPolarHBondContact OD1-CD1 3.48Å; L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 2.89Å; L303-V306 PolarHBondContact O-N 3.11Å; L303-I307 WeakPolarHBondContact O-CG1 3.26Å; L303-I307 PolarHBondContact O-N 2.99Å; L303-L328 HydrophobicContact CD2-CD1 4.21Å
304	T	86.9	Confident	90.1	Very high	104 Å²	104	51.2 Å²	51.2	64%	0.638	26%	0.263	S	S	*	.	H	α-helix	trans	-60	-40.7	177.8	-56	0	0	0	0	111.3	L302 A308	L302-T304 VanDerWaalsContact C-N 3.26Å; L302-T304 PolarHBondContact O-N 3.21Å; T304-A308 PolarHBondContact O-N 3.15Å
305	R	90.6	Very high	89.2	Confident	149 Å²	149	52.1 Å²	52.1	56%	0.562	28%	0.275	S	S	*	.	H	α-helix	trans	-69.8	-41.8	176	-58.8	-177.2	-172.1	173.5	5.4	111.1	L302 L303 I307 A308 E309	L302-R305 WeakPolarHBondContact O-CB 3.41Å; L302-R305 PolarHBondContact O-N 2.72Å; L303-R305 VanDerWaalsContact C-N 3.27Å; L303-R305 PolarHBondContact O-N 2.89Å; R305-I307 VanDerWaalsContact C-N 3.35Å; R305-I307 PolarHBondContact O-N 3.28Å; R305-A308 WeakPolarHBondContact O-CB 3.42Å; R305-A308 PolarHBondContact O-N 3.36Å; R305-E309 WeakPolarHBondContact O-CG 3.37Å; R305-E309 PolarHBondContact O-N 3.38Å
306	V	91.4	Very high	87.9	Confident	2 Å²	2	62 Å²	62	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-45.6	177	176.7	0	0	0	0	111.2	K249 M250 L302 L303 A308 E309 V310 L328 M361	K249-V306 HydrophobicContact CD-CG2 4.28Å; K249-V306 HydrophobicContact CG-CG2 3.72Å; M250-V306 HydrophobicContact CG-CB 4.46Å; M250-V306 HydrophobicContact CG-CG1 3.87Å; M250-V306 HydrophobicContact CG-CG2 3.89Å; M250-V306 HydrophobicContact SD-CB 4.11Å; M250-V306 HydrophobicContact SD-CG1 3.67Å; M250-V306 HydrophobicContact SD-CG2 3.95Å; L302-V306 WeakPolarHBondContact O-CG2 3.47Å; L302-V306 PolarHBondContact O-N 3.16Å; L303-V306 PolarHBondContact O-N 3.11Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 3.37Å; V306-E309 PolarHBondContact O-N 3.39Å; V306-V310 HydrophobicContact CG1-CG2 3.93Å; V306-V310 WeakPolarHBondContact O-CB 3.2Å; V306-V310 VanDerWaalsContact O-CG2 3.24Å; V306-V310 WeakPolarHBondContact O-CG2 3.27Å; V306-V310 PolarHBondContact O-N 2.92Å; V306-L328 HydrophobicContact CG1-CD1 4.28Å; V306-L328 HydrophobicContact CG1-CD2 4.43Å; V306-M361 HydrophobicContact CG1-CE 3.98Å
307	I	90.5	Very high	86.8	Confident	20 Å²	20	65 Å²	65	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-43.2	178.4	-69.7	165.3	0	0	0	110.6	L303 R305 R311 L328	L303-I307 WeakPolarHBondContact O-CG1 3.26Å; L303-I307 PolarHBondContact O-N 2.99Å; R305-I307 VanDerWaalsContact C-N 3.35Å; R305-I307 PolarHBondContact O-N 3.28Å; I307-R311 WeakPolarHBondContact O-CB 3.48Å; I307-R311 WeakPolarHBondContact O-CD 3.26Å; I307-R311 WeakPolarHBondContact O-CG 3.24Å; I307-R311 PolarHBondContact O-N 2.95Å; I307-L328 HydrophobicContact CD1-CG 4.31Å; I307-L328 HydrophobicContact CG1-CD2 3.62Å; I307-L328 HydrophobicContact CG1-CG 3.64Å
308	A	88.9	Confident	85.8	Confident	58 Å²	58	62.5 Å²	62.5	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-46.6	177.4	0	0	0	0	0	112.1	T304 R305 V306 R311 E312	T304-A308 PolarHBondContact O-N 3.15Å; R305-A308 WeakPolarHBondContact O-CB 3.42Å; R305-A308 PolarHBondContact O-N 3.36Å; V306-A308 VanDerWaalsContact C-N 3.28Å; V306-A308 PolarHBondContact O-N 3.37Å; A308-R311 WeakPolarHBondContact O-CB 3.39Å; A308-R311 PolarHBondContact O-N 2.84Å; A308-E312 PolarHBondContact O-N 3.3Å
309	E	89.3	Confident	84.9	Confident	72 Å²	72	61.7 Å²	61.7	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-42.8	177.7	-69	176.9	-154.2	0	0	112.5	K249 R305 V306 R311 E312 Q313	K249-E309 WeakPolarHBondContact CE-OE2 3.33Å; K249-E309 IonicContact NZ-OE1 2.85Å; K249-E309 PolarHBondContact NZ-OE1 3.4Å; K249-E309 IonicContact NZ-OE2 3.07Å; K249-E309 PolarHBondContact NZ-OE2 2.94Å; R305-E309 WeakPolarHBondContact O-CG 3.37Å; R305-E309 PolarHBondContact O-N 3.38Å; V306-E309 PolarHBondContact O-N 3.39Å; E309-R311 VanDerWaalsContact C-N 3.33Å; E309-R311 PolarHBondContact O-N 2.83Å; E309-E312 WeakPolarHBondContact O-CB 3.32Å; E309-E312 PolarHBondContact O-N 2.86Å; E309-Q313 WeakPolarHBondContact O-CG 3.32Å; E309-Q313 PolarHBondContact O-N 2.65Å
310	V	87.5	Confident	83.3	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-41.9	179	173.9	0	0	0	0	110.1	V306 E312 Q313 L314 I325 M361 W368	V306-V310 HydrophobicContact CG1-CG2 3.93Å; V306-V310 WeakPolarHBondContact O-CB 3.2Å; V306-V310 VanDerWaalsContact O-CG2 3.24Å; V306-V310 WeakPolarHBondContact O-CG2 3.27Å; V306-V310 PolarHBondContact O-N 2.92Å; V310-E312 VanDerWaalsContact C-N 3.29Å; V310-E312 PolarHBondContact O-N 3.07Å; V310-Q313 PolarHBondContact O-N 2.96Å; V310-L314 HydrophobicContact CG1-CD1 3.5Å; V310-L314 VanDerWaalsContact CG1-CD1 3.5Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CD1 3.29Å; V310-L314 WeakPolarHBondContact O-CD1 3.38Å; V310-L314 VanDerWaalsContact O-CG 3.29Å; V310-L314 WeakPolarHBondContact O-CG 3.47Å; V310-L314 PolarHBondContact O-N 2.93Å; V310-I325 HydrophobicContact CB-CD1 4.29Å; V310-I325 HydrophobicContact CG1-CD1 3.29Å; V310-M361 HydrophobicContact CG2-CE 3.97Å; V310-W368 HydrophobicContact CB-CZ2 4.2Å; V310-W368 HydrophobicContact CG1-CD2 4.34Å; V310-W368 HydrophobicContact CG1-CH2 3.65Å; V310-W368 HydrophobicContact CG1-CZ2 3.4Å; V310-W368 VanDerWaalsContact CG1-CZ2 3.4Å; V310-W368 HydrophobicContact CG1-CZ3 4.21Å; V310-W368 HydrophobicContact CG2-CH2 4.06Å; V310-W368 HydrophobicContact CG2-CZ2 3.59Å
311	R	86.8	Confident	81.8	Confident	92 Å²	92	64 Å²	64	35%	0.347	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-40.7	173.7	-73.4	165.1	173.7	-161.2	-8.3	111.8	I307 A308 E309 G315 E324 I325	I307-R311 WeakPolarHBondContact O-CB 3.48Å; I307-R311 WeakPolarHBondContact O-CD 3.26Å; I307-R311 WeakPolarHBondContact O-CG 3.24Å; I307-R311 PolarHBondContact O-N 2.95Å; A308-R311 WeakPolarHBondContact O-CB 3.39Å; A308-R311 PolarHBondContact O-N 2.84Å; E309-R311 VanDerWaalsContact C-N 3.33Å; E309-R311 PolarHBondContact O-N 2.83Å; R311-G315 PolarHBondContact O-N 3.09Å; R311-E324 IonicContact CZ-OE1 2.89Å; R311-E324 IonicContact NE-OE1 3.5Å; R311-E324 IonicContact NH1-OE1 3.25Å; R311-E324 PolarHBondContact NH1-OE1 2.72Å; R311-E324 IonicContact NH2-OE1 3.3Å; R311-E324 PolarHBondContact NH2-OE1 2.95Å; R311-I325 PolarHBondContact NE-O 3.19Å; R311-I325 PolarHBondContact NH2-O 2.98Å
312	E	85.7	Confident	80.7	Confident	160 Å²	160	59.1 Å²	59.1	75%	0.748	32%	0.323	S	S	*	.	H	α-helix	trans	-65.5	-46.1	176.1	-173.6	177.7	-175.1	0	0	112.1	A308 E309 V310 L314 G315	A308-E312 PolarHBondContact O-N 3.3Å; E309-E312 WeakPolarHBondContact O-CB 3.32Å; E309-E312 PolarHBondContact O-N 2.86Å; V310-E312 VanDerWaalsContact C-N 3.29Å; V310-E312 PolarHBondContact O-N 3.07Å; E312-L314 VanDerWaalsContact C-N 3.33Å; E312-L314 PolarHBondContact O-N 2.85Å; E312-G315 PolarHBondContact O-N 2.63Å
313	Q	82.4	Confident	79.5	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-39.7	179	-73.2	178.6	-0.1	0	0	112.8	E309 V310 K365	E309-Q313 WeakPolarHBondContact O-CG 3.32Å; E309-Q313 PolarHBondContact O-N 2.65Å; V310-Q313 PolarHBondContact O-N 2.96Å; Q313-K365 PolarHBondContact O-NZ 3.05Å
314	L	82.4	Confident	79.1	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-77.1	-32.9	178.6	-64.4	158.3	0	0	0	110.8	V310 E312 T317 I319 I325 K365 W368	V310-L314 HydrophobicContact CG1-CD1 3.5Å; V310-L314 VanDerWaalsContact CG1-CD1 3.5Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CD1 3.29Å; V310-L314 WeakPolarHBondContact O-CD1 3.38Å; V310-L314 VanDerWaalsContact O-CG 3.29Å; V310-L314 WeakPolarHBondContact O-CG 3.47Å; V310-L314 PolarHBondContact O-N 2.93Å; E312-L314 VanDerWaalsContact C-N 3.33Å; E312-L314 PolarHBondContact O-N 2.85Å; L314-T317 PolarHBondContact O-N 3.21Å; L314-T317 PolarHBondContact O-OG1 2.76Å; L314-I319 HydrophobicContact CD1-CD1 3.42Å; L314-I319 VanDerWaalsContact CD1-CD1 3.42Å; L314-I319 HydrophobicContact CD1-CG1 3.56Å; L314-I319 HydrophobicContact CD2-CD1 4.33Å; L314-I319 HydrophobicContact CD2-CG1 3.78Å; L314-I319 HydrophobicContact CG-CG1 4.27Å; L314-I325 HydrophobicContact CD1-CD1 3.73Å; L314-K365 HydrophobicContact CD2-CG 4.3Å; L314-K365 PolarHBondContact O-NZ 3.02Å; L314-W368 HydrophobicContact CD2-CB 3.87Å; L314-W368 HydrophobicContact CD2-CG 3.96Å
315	G	76.3	Confident	79.2	Confident	38 Å²	38	65.7 Å²	65.7	39%	0.392	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	56.2	-143.8	-178.4	0	0	0	0	0	111.5	R311 E312 T317	R311-G315 PolarHBondContact O-N 3.09Å; E312-G315 PolarHBondContact O-N 2.63Å; G315-T317 PolarHBondContact O-N 2.8Å
316	K	68.6	Low	79.2	Confident	208 Å²	208	64.5 Å²	64.5	90%	0.904	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.9	-11.1	-177.3	-64.3	-176.3	-178.8	178.5	0	114.8	G318	K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.89Å
317	T	69.9	Low	79.3	Confident	85 Å²	85	65.4 Å²	65.4	52%	0.521	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-74.3	-23.4	-177.1	60	0	0	0	0	112.4	L314 G315 K365	L314-T317 PolarHBondContact O-N 3.21Å; L314-T317 PolarHBondContact O-OG1 2.76Å; G315-T317 PolarHBondContact O-N 2.8Å; T317-K365 WeakPolarHBondContact OG1-CE 3.37Å; T317-K365 PolarHBondContact OG1-NZ 3.23Å
318	G	72.8	Confident	79.5	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.031	33%	0.331	C	S	.	.			trans	63.2	-161.7	-177.8	0	0	0	0	0	113.3	K316 S322 F369	K316-G318 VanDerWaalsContact C-N 3.29Å; K316-G318 PolarHBondContact O-N 2.89Å; G318-S322 CarbonylContact C-O 3.43Å; G318-S322 WeakPolarHBondContact CA-O 3.16Å; G318-F369 WeakPolarHBondContact O-CE1 3.39Å; G318-F369 WeakPolarHBondContact O-CZ 3.38Å
319	I	73.3	Confident	79.8	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-131.1	137.9	171.4	-60.6	165.7	0	0	0	108.6	L314 G321 S322 I325 L356 W368	L314-I319 HydrophobicContact CD1-CD1 3.42Å; L314-I319 VanDerWaalsContact CD1-CD1 3.42Å; L314-I319 HydrophobicContact CD1-CG1 3.56Å; L314-I319 HydrophobicContact CD2-CD1 4.33Å; L314-I319 HydrophobicContact CD2-CG1 3.78Å; L314-I319 HydrophobicContact CG-CG1 4.27Å; I319-G321 PolarHBondContact O-N 2.9Å; I319-S322 PolarHBondContact N-O 3.04Å; I319-S322 WeakPolarHBondContact O-CA 3.47Å; I319-S322 WeakPolarHBondContact O-CB 3.48Å; I319-S322 PolarHBondContact O-N 3.17Å; I319-S322 VanDerWaalsContact O-O 3.14Å; I319-I325 HydrophobicContact CD1-CD1 3.57Å; I319-I325 HydrophobicContact CD1-CG1 3.92Å; I319-L356 HydrophobicContact CB-CD1 4.38Å; I319-L356 HydrophobicContact CG2-CD1 3.5Å; I319-W368 HydrophobicContact CD1-CB 4.06Å; I319-W368 HydrophobicContact CD1-CD2 3.94Å; I319-W368 HydrophobicContact CD1-CE3 3.4Å; I319-W368 HydrophobicContact CD1-CG 4.26Å; I319-W368 HydrophobicContact CD1-CZ3 4.1Å; I319-W368 HydrophobicContact CG1-CB 4.04Å; I319-W368 WeakPolarHBondContact CG2-O 3.31Å
320	A	59.8	Low	80.1	Confident	43 Å²	43	59.6 Å²	59.6	36%	0.355	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	31.4	172.3	0	0	0	0	0	114.4	S322 L356	A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 2.98Å; A320-L356 HydrophobicContact CB-CD1 4.49Å; A320-L356 HydrophobicContact CB-CD2 4.24Å
321	G	61	Low	80.5	Confident	61 Å²	61	59.5 Å²	59.5	63%	0.629	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	5	-177.3	0	0	0	0	0	115	I319 K353	I319-G321 PolarHBondContact O-N 2.9Å; G321-K353 PolarHBondContact O-NZ 3.48Å
322	S	67.7	Low	80.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-102.3	138.8	170.6	-167.3	0	0	0	0	111.3	G318 I319 A320 T351 E352	G318-S322 CarbonylContact C-O 3.43Å; G318-S322 WeakPolarHBondContact CA-O 3.16Å; I319-S322 PolarHBondContact N-O 3.04Å; I319-S322 WeakPolarHBondContact O-CA 3.47Å; I319-S322 WeakPolarHBondContact O-CB 3.48Å; I319-S322 PolarHBondContact O-N 3.17Å; I319-S322 VanDerWaalsContact O-O 3.14Å; A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 2.98Å; S322-T351 WeakPolarHBondContact CB-OG1 3.46Å; S322-T351 WeakPolarHBondContact OG-CB 3.21Å; S322-T351 PolarHBondContact OG-OG1 2.83Å; S322-E352 PolarHBondContact OG-N 3.46Å; S322-E352 VanDerWaalsContact OG-N 3.13Å
323	R	65.9	Low	81.1	Confident	213 Å²	213	47.8 Å²	47.8	80%	0.804	25%	0.246	S	C	*	.	S	Bend	trans	-88.9	-20	-171.7	-70.2	-177.5	176.4	177.8	0.6	113.6
324	E	82.8	Confident	81.4	Confident	58 Å²	58	46.1 Å²	46.1	27%	0.271	24%	0.238	S	C	.	.			trans	-137.8	128.3	-174.2	-159.5	-174.7	164.2	0	0	112.9	R311 R326 T351 E352	R311-E324 IonicContact CZ-OE1 2.89Å; R311-E324 IonicContact NE-OE1 3.5Å; R311-E324 IonicContact NH1-OE1 3.25Å; R311-E324 PolarHBondContact NH1-OE1 2.72Å; R311-E324 IonicContact NH2-OE1 3.3Å; R311-E324 PolarHBondContact NH2-OE1 2.95Å; E324-R326 IonicContact OE1-NH1 2.99Å; E324-R326 IonicContact OE2-CZ 3.12Å; E324-R326 VanDerWaalsContact OE2-CZ 3.28Å; E324-R326 IonicContact OE2-NE 2.8Å; E324-R326 IonicContact OE2-NH1 2.89Å; E324-R326 IonicContact OE2-NH2 2.98Å; E324-R326 PolarHBondContact OE2-NH2 3.17Å; E324-T351 CarbonylContact O-C 3.56Å; E324-T351 VanDerWaalsContact O-CA 3.29Å; E324-T351 WeakPolarHBondContact O-CA 3.31Å; E324-E352 HydrophobicContact CB-CG 3.77Å; E324-E352 WeakPolarHBondContact O-CG 3.07Å; E324-E352 PolarHBondContact O-N 3.34Å
325	I	89.1	Confident	81.4	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119	165.9	-60	175	0	0	0	108.1	V310 R311 L314 I319 L328 V349 W368	V310-I325 HydrophobicContact CB-CD1 4.29Å; V310-I325 HydrophobicContact CG1-CD1 3.29Å; R311-I325 PolarHBondContact NE-O 3.19Å; R311-I325 PolarHBondContact NH2-O 2.98Å; L314-I325 HydrophobicContact CD1-CD1 3.73Å; I319-I325 HydrophobicContact CD1-CD1 3.57Å; I319-I325 HydrophobicContact CD1-CG1 3.92Å; I325-L328 HydrophobicContact CG2-CD2 4.27Å; I325-V349 HydrophobicContact CD1-CG1 4.42Å; I325-V349 HydrophobicContact CG1-CG1 4.31Å; I325-V349 HydrophobicContact CG2-CG1 3.75Å; I325-W368 HydrophobicContact CD1-CZ3 4.39Å
326	R	90.8	Very high	81.2	Confident	123 Å²	123	51.2 Å²	51.2	46%	0.464	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-40.2	178.7	-66	-67	-178.3	176.3	-6	112.3	E324 L350 E352	E324-R326 IonicContact OE1-NH1 2.99Å; E324-R326 IonicContact OE2-CZ 3.12Å; E324-R326 VanDerWaalsContact OE2-CZ 3.28Å; E324-R326 IonicContact OE2-NE 2.8Å; E324-R326 IonicContact OE2-NH1 2.89Å; E324-R326 IonicContact OE2-NH2 2.98Å; E324-R326 PolarHBondContact OE2-NH2 3.17Å; R326-L350 PolarHBondContact N-O 3.28Å; R326-E352 HydrophobicContact CG-CG 4.46Å; R326-E352 IonicContact CZ-OE1 2.94Å; R326-E352 IonicContact NE-OE1 3.95Å; R326-E352 IonicContact NH2-OE1 2.92Å; R326-E352 PolarHBondContact NH2-OE1 3.13Å
327	H	93.8	Very high	81	Confident	22 Å²	22	45.5 Å²	45.5	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	152.6	179	-168.8	49.9	0	0	0	110.7	L350 H425 W426	H327-L350 HydrophobicContact CB-CB 4.3Å; H327-L350 HydrophobicContact CB-CD1 4.28Å; H327-L350 PolarHBondContact N-O 3.04Å; H327-L350 VanDerWaalsContact N-O 3.17Å; H327-L350 PolarHBondContact O-N 3.47Å; H327-H425 AromaticContact CE1-CE1 3.33Å; H327-H425 PolarHBondContact CE1-CE1 2.97Å; H327-H425 AromaticContact CE1-ND1 3.59Å; H327-H425 AromaticContact ND1-CE1 3.65Å; H327-H425 AromaticContact NE2-CE1 3.62Å; H327-H425 AromaticContact NE2-ND1 3.51Å; H327-W426 AromaticContact CD2-CE2 3.9Å; H327-W426 AromaticContact CD2-CE3 3.93Å; H327-W426 AromaticContact CD2-CH2 3.61Å; H327-W426 AromaticContact CD2-CZ2 3.71Å; H327-W426 AromaticContact CD2-CZ3 3.74Å; H327-W426 AromaticContact NE2-CE2 3.73Å; H327-W426 AromaticContact NE2-CZ2 3.69Å
328	L	94.4	Very high	80.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	151	170.6	68.6	89.9	0	0	0	109.8	M250 L303 V306 I307 I325 L347 V348 V349	M250-L328 HydrophobicContact CE-CD1 3.43Å; M250-L328 VanDerWaalsContact CE-CD1 3.43Å; M250-L328 HydrophobicContact SD-CD1 3.61Å; L303-L328 HydrophobicContact CD2-CD1 4.21Å; V306-L328 HydrophobicContact CG1-CD1 4.28Å; V306-L328 HydrophobicContact CG1-CD2 4.43Å; I307-L328 HydrophobicContact CD1-CG 4.31Å; I307-L328 HydrophobicContact CG1-CD2 3.62Å; I307-L328 HydrophobicContact CG1-CG 3.64Å; I325-L328 HydrophobicContact CG2-CD2 4.27Å; L328-L347 HydrophobicContact CD1-CD1 4.47Å; L328-V348 VanDerWaalsContact CA-O 3.32Å; L328-V348 WeakPolarHBondContact CA-O 3.22Å; L328-V349 HydrophobicContact CB-CB 4.45Å; L328-V349 HydrophobicContact CB-CG1 4.3Å; L328-V349 HydrophobicContact CB-CG2 4.04Å
329	G	95.4	Very high	79.7	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	169.5	174.6	0	0	0	0	0	112.3	V348	G329-V348 PolarHBondContact N-O 3.14Å; G329-V348 PolarHBondContact O-N 3.14Å
330	W	96.1	Very high	79	Confident	24 Å²	24	58.2 Å²	58.2	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.2	178.3	-68.3	106.5	0	0	0	111.6	M250 Y252 P272 A274 P345 A346 L347 M361	M250-W330 PolarHBondContact O-NE1 2.86Å; Y252-W330 HydrophobicContact CD1-CB 4.04Å; Y252-W330 HydrophobicContact CD1-CG 4.47Å; Y252-W330 HydrophobicContact CD2-CB 3.42Å; Y252-W330 VanDerWaalsContact CD2-CB 3.42Å; Y252-W330 HydrophobicContact CD2-CG 4.24Å; Y252-W330 HydrophobicContact CE1-CB 4.49Å; Y252-W330 HydrophobicContact CE2-CB 4.02Å; Y252-W330 HydrophobicContact CG-CB 3.47Å; Y252-W330 VanDerWaalsContact CG-CB 3.47Å; Y252-W330 HydrophobicContact CG-CD2 4.44Å; Y252-W330 AromaticContact CG-CG 3.88Å; Y252-W330 HydrophobicContact CG-CG 3.88Å; P272-W330 VanDerWaalsContact O-CZ2 3.29Å; P272-W330 WeakPolarHBondContact O-CZ2 3.35Å; A274-W330 HydrophobicContact CB-CH2 4.22Å; A274-W330 HydrophobicContact CB-CZ3 4.46Å; W330-P345 HydrophobicContact CE3-CB 4.21Å; W330-P345 HydrophobicContact CZ3-CB 4.16Å; W330-A346 VanDerWaalsContact CE3-C 3.48Å; W330-L347 HydrophobicContact CD2-CB 4.23Å; W330-L347 HydrophobicContact CD2-CD1 4.39Å; W330-L347 HydrophobicContact CE3-CB 3.88Å; W330-L347 HydrophobicContact CH2-CB 4Å; W330-L347 HydrophobicContact CZ2-CB 4.3Å; W330-L347 HydrophobicContact CZ3-CB 3.76Å; W330-M361 HydrophobicContact CZ2-CB 4.46Å
331	L	95.2	Very high	79	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.5	170.6	-71.8	171.7	0	0	0	109	A346 V348 F400 F415 A417 W426	L331-A346 PolarHBondContact N-O 3.4Å; L331-A346 PolarHBondContact O-N 3.37Å; L331-V348 HydrophobicContact CB-CG2 4.32Å; L331-V348 HydrophobicContact CD1-CB 4.14Å; L331-V348 HydrophobicContact CD1-CG2 3.88Å; L331-V348 HydrophobicContact CG-CG2 4.49Å; L331-F400 HydrophobicContact CD1-CE1 3.96Å; L331-F400 HydrophobicContact CD1-CZ 3.61Å; L331-F400 HydrophobicContact CD2-CE1 4.2Å; L331-F415 HydrophobicContact CB-CB 4.42Å; L331-F415 HydrophobicContact CB-CD1 4.08Å; L331-F415 HydrophobicContact CD1-CB 4.14Å; L331-F415 HydrophobicContact CD1-CD1 4.15Å; L331-F415 HydrophobicContact CD1-CG 4.12Å; L331-A417 HydrophobicContact CD2-CB 4.23Å; L331-W426 HydrophobicContact CD1-CD2 3.83Å; L331-W426 HydrophobicContact CD1-CE3 4.14Å; L331-W426 HydrophobicContact CD1-CG 4.23Å; L331-W426 HydrophobicContact CD1-CH2 4.41Å; L331-W426 HydrophobicContact CD1-CZ2 4.11Å; L331-W426 HydrophobicContact CD1-CZ3 4.41Å; L331-W426 HydrophobicContact CD2-CD2 4.49Å; L331-W426 HydrophobicContact CD2-CG 4.28Å; L331-W426 HydrophobicContact CG-CD2 4.42Å; L331-W426 HydrophobicContact CG-CZ2 4.21Å
332	A	93.1	Very high	79.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.6	168.1	0	0	0	0	0	108.6	Y252 M257 W343 K344 F415 R416	Y252-A332 VanDerWaalsContact OH-CB 3.31Å; Y252-A332 WeakPolarHBondContact OH-CB 3.39Å; Y252-A332 PolarHBondContact OH-N 2.89Å; M257-A332 HydrophobicContact CE-CB 4.27Å; A332-W343 HydrophobicContact CB-CB 3.96Å; A332-W343 HydrophobicContact CB-CD2 4.29Å; A332-W343 HydrophobicContact CB-CE3 3.98Å; A332-W343 HydrophobicContact CB-CG 4.32Å; A332-W343 VanDerWaalsContact O-CE3 3.32Å; A332-W343 WeakPolarHBondContact O-CZ3 3.36Å; A332-K344 CarbonylContact C-O 3.43Å; A332-K344 WeakPolarHBondContact CA-O 3.43Å; A332-F415 CarbonylContact O-C 3.54Å; A332-F415 VanDerWaalsContact O-CA 3.24Å; A332-F415 WeakPolarHBondContact O-CA 3.47Å; A332-R416 HydrophobicContact CB-CB 3.83Å; A332-R416 PolarHBondContact N-O 3.08Å; A332-R416 VanDerWaalsContact N-O 3.09Å; A332-R416 PolarHBondContact O-N 3.05Å
333	E	92.2	Very high	80.8	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.028	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.9	175.7	-179	-178.3	-154.1	0	0	110.1	W343 K344 A346 H413 F415	E333-W343 WeakPolarHBondContact O-CA 3.42Å; E333-K344 HydrophobicContact CB-CG 4.29Å; E333-K344 PolarHBondContact N-O 2.81Å; E333-K344 PolarHBondContact O-N 3.31Å; E333-K344 WeakPolarHBondContact OE2-CE 3.48Å; E333-K344 IonicContact OE2-NZ 3.38Å; E333-K344 PolarHBondContact OE2-NZ 2.88Å; E333-A346 HydrophobicContact CB-CB 3.69Å; E333-H413 IonicContact OE1-CE1 2.78Å; E333-H413 PolarHBondContact OE1-CE1 2.8Å; E333-H413 VanDerWaalsContact OE1-CE1 3.26Å; E333-H413 IonicContact OE1-CG 2.8Å; E333-H413 IonicContact OE1-ND1 2.7Å; E333-H413 PolarHBondContact OE1-ND1 3.19Å; E333-F415 HydrophobicContact CB-CD1 4.18Å; E333-F415 HydrophobicContact CB-CE1 4.15Å; E333-F415 HydrophobicContact CG-CD1 4.48Å; E333-F415 HydrophobicContact CG-CE1 4.14Å
334	K	88.5	Confident	81.9	Confident	66 Å²	66	60.1 Å²	60.1	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127	175.1	-175.4	164.7	177.1	160.4	0	110.1	P336 E340 W343 L414	K334-P336 WeakPolarHBondContact O-CD 3.21Å; K334-E340 WeakPolarHBondContact CE-O 3.43Å; K334-E340 PolarHBondContact NZ-O 3.16Å; K334-W343 HydrophobicContact CB-CE3 3.96Å; K334-W343 HydrophobicContact CB-CH2 4.23Å; K334-W343 HydrophobicContact CB-CZ3 3.72Å; K334-L414 HydrophobicContact CB-CB 3.99Å; K334-L414 HydrophobicContact CB-CD2 4.18Å; K334-L414 HydrophobicContact CB-CG 4.45Å; K334-L414 HydrophobicContact CD-CD2 3.57Å; K334-L414 PolarHBondContact N-O 2.83Å
335	V	82.2	Confident	82.4	Confident	33 Å²	33	58.6 Å²	58.6	20%	0.2	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-75.9	122.9	176.8	-175.9	0	0	0	0	109.6	G337 Q342 K344	V335-G337 PolarHBondContact O-N 2.78Å; V335-Q342 PolarHBondContact N-O 2.84Å; V335-K344 HydrophobicContact CG2-CB 4.06Å; V335-K344 HydrophobicContact CG2-CD 3.99Å; V335-K344 HydrophobicContact CG2-CG 3.8Å
336	P	72.7	Confident	82.7	Confident	117 Å²	117	58.4 Å²	58.4	76%	0.76	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	130.6	174.6	-17.6	31	0	0	0	111	K334	K334-P336 WeakPolarHBondContact O-CD 3.21Å
337	G	64.4	Low	83	Confident	87 Å²	87	52.5 Å²	52.5	90%	0.897	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-8.6	167.9	0	0	0	0	0	117.3	V335	V335-G337 PolarHBondContact O-N 2.78Å
338	E	57.5	Low	83.1	Confident	107 Å²	107	51.5 Å²	51.5	50%	0.5	28%	0.282	S	S	.	.	S	Bend	trans	-98.4	175.7	170.2	-73.5	-175.4	138.9	0	0	111.6	Q342	E338-Q342 HydrophobicContact CB-CB 4.42Å; E338-Q342 VanDerWaalsContact CD-OE1 3.31Å; E338-Q342 PolarHBondContact OE2-NE2 3.39Å; E338-Q342 PolarHBondContact OE2-OE1 2.82Å
339	S	58.5	Low	83.2	Confident	85 Å²	85	51.5 Å²	51.5	59%	0.594	28%	0.282	S	S	*	.			trans	-42.7	144.6	178.9	70	0	0	0	0	112.5	K341 Q342	S339-K341 PolarHBondContact O-N 3.03Å; S339-Q342 PolarHBondContact O-N 2.81Å; S339-Q342 VanDerWaalsContact O-N 3.14Å
340	E	57.5	Low	83.2	Confident	167 Å²	167	51.6 Å²	51.6	78%	0.78	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-12.2	-169.5	-73.7	-167.8	143.3	0	0	116.1	K334	K334-E340 WeakPolarHBondContact CE-O 3.43Å; K334-E340 PolarHBondContact NZ-O 3.16Å
341	K	59.8	Low	83.1	Confident	180 Å²	180	50.5 Å²	50.5	78%	0.783	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	4.7	-172.3	-61.8	-173.4	178.2	-177.1	0	115.2	S339 W343	S339-K341 PolarHBondContact O-N 3.03Å; K341-W343 VanDerWaalsContact O-CD1 3.27Å; K341-W343 PolarHBondContact O-N 3.38Å
342	Q	79.4	Confident	82.9	Confident	82 Å²	82	52.1 Å²	52.1	38%	0.383	29%	0.285	S	S	.	.			trans	-86.6	112.1	-175.4	-162.1	160	-12.1	0	0	112.2	V335 E338 S339	V335-Q342 PolarHBondContact N-O 2.84Å; E338-Q342 HydrophobicContact CB-CB 4.42Å; E338-Q342 VanDerWaalsContact CD-OE1 3.31Å; E338-Q342 PolarHBondContact OE2-NE2 3.39Å; E338-Q342 PolarHBondContact OE2-OE1 2.82Å; S339-Q342 PolarHBondContact O-N 2.81Å; S339-Q342 VanDerWaalsContact O-N 3.14Å
343	W	86.9	Confident	82.9	Confident	31 Å²	31	55.7 Å²	55.7	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.6	175.3	-60.8	96.6	0	0	0	109.4	M257 A332 E333 K334 K341 L414 R416	M257-W343 HydrophobicContact CG-CB 4.26Å; A332-W343 HydrophobicContact CB-CB 3.96Å; A332-W343 HydrophobicContact CB-CD2 4.29Å; A332-W343 HydrophobicContact CB-CE3 3.98Å; A332-W343 HydrophobicContact CB-CG 4.32Å; A332-W343 VanDerWaalsContact O-CE3 3.32Å; A332-W343 WeakPolarHBondContact O-CZ3 3.36Å; E333-W343 WeakPolarHBondContact O-CA 3.42Å; K334-W343 HydrophobicContact CB-CE3 3.96Å; K334-W343 HydrophobicContact CB-CH2 4.23Å; K334-W343 HydrophobicContact CB-CZ3 3.72Å; K341-W343 VanDerWaalsContact O-CD1 3.27Å; K341-W343 PolarHBondContact O-N 3.38Å; W343-L414 HydrophobicContact CH2-CD2 3.68Å; W343-L414 HydrophobicContact CH2-CG 3.92Å; W343-L414 HydrophobicContact CZ2-CD2 4.5Å; W343-L414 HydrophobicContact CZ3-CD2 4.33Å; W343-L414 HydrophobicContact CZ3-CG 4.24Å; W343-R416 HydrophobicContact CD2-CB 4.22Å; W343-R416 HydrophobicContact CE3-CB 3.87Å; W343-R416 HydrophobicContact CH2-CB 3.79Å; W343-R416 HydrophobicContact CZ2-CB 4.13Å; W343-R416 HydrophobicContact CZ3-CB 3.64Å
344	K	90.1	Very high	83	Confident	64 Å²	64	56.3 Å²	56.3	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.1	170.4	67.2	167.7	-173.6	156.1	0	110.7	A332 E333 V335 A346 D359	A332-K344 CarbonylContact C-O 3.43Å; A332-K344 WeakPolarHBondContact CA-O 3.43Å; E333-K344 HydrophobicContact CB-CG 4.29Å; E333-K344 PolarHBondContact N-O 2.81Å; E333-K344 PolarHBondContact O-N 3.31Å; E333-K344 WeakPolarHBondContact OE2-CE 3.48Å; E333-K344 IonicContact OE2-NZ 3.38Å; E333-K344 PolarHBondContact OE2-NZ 2.88Å; V335-K344 HydrophobicContact CG2-CB 4.06Å; V335-K344 HydrophobicContact CG2-CD 3.99Å; V335-K344 HydrophobicContact CG2-CG 3.8Å; K344-A346 PolarHBondContact O-N 3.13Å; K344-D359 IonicContact NZ-OD1 3.64Å; K344-D359 PolarHBondContact NZ-OD1 3.39Å
345	P	92.8	Very high	83.4	Confident	27 Å²	27	53.2 Å²	53.2	18%	0.175	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.9	172.3	29.1	-35.1	0	0	0	110.4	Y252 A274 W330	Y252-P345 HydrophobicContact CD1-CB 3.75Å; Y252-P345 HydrophobicContact CE1-CB 3.94Å; A274-P345 HydrophobicContact CB-CB 4.36Å; A274-P345 HydrophobicContact CB-CG 3.78Å; W330-P345 HydrophobicContact CE3-CB 4.21Å; W330-P345 HydrophobicContact CZ3-CB 4.16Å
346	A	95	Very high	84	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.9	175.9	0	0	0	0	0	109.3	W330 L331 E333 K344 V348 I357	W330-A346 VanDerWaalsContact CE3-C 3.48Å; L331-A346 PolarHBondContact N-O 3.4Å; L331-A346 PolarHBondContact O-N 3.37Å; E333-A346 HydrophobicContact CB-CB 3.69Å; K344-A346 PolarHBondContact O-N 3.13Å; A346-V348 PolarHBondContact O-N 2.97Å; A346-I357 HydrophobicContact CB-CG2 4.04Å
347	L	96.6	Very high	85.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	111.5	171.6	174.4	67.5	0	0	0	108	M250 L328 W330 V349 I357 Y358 M361	M250-L347 HydrophobicContact CE-CD1 3.57Å; L328-L347 HydrophobicContact CD1-CD1 4.47Å; W330-L347 HydrophobicContact CD2-CB 4.23Å; W330-L347 HydrophobicContact CD2-CD1 4.39Å; W330-L347 HydrophobicContact CE3-CB 3.88Å; W330-L347 HydrophobicContact CH2-CB 4Å; W330-L347 HydrophobicContact CZ2-CB 4.3Å; W330-L347 HydrophobicContact CZ3-CB 3.76Å; L347-V349 HydrophobicContact CG-CG2 4.28Å; L347-I357 WeakPolarHBondContact O-CA 3.49Å; L347-Y358 PolarHBondContact N-O 3.46Å; L347-Y358 PolarHBondContact O-N 3.1Å; L347-M361 HydrophobicContact CD2-CB 4.29Å; L347-M361 HydrophobicContact CD2-SD 3.68Å
348	V	96.9	Very high	86.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.6	178.6	-177.8	0	0	0	0	109.1	L328 G329 L331 A346 L355 L356 F415 W426	L328-V348 VanDerWaalsContact CA-O 3.32Å; L328-V348 WeakPolarHBondContact CA-O 3.22Å; G329-V348 PolarHBondContact N-O 3.14Å; G329-V348 PolarHBondContact O-N 3.14Å; L331-V348 HydrophobicContact CB-CG2 4.32Å; L331-V348 HydrophobicContact CD1-CB 4.14Å; L331-V348 HydrophobicContact CD1-CG2 3.88Å; L331-V348 HydrophobicContact CG-CG2 4.49Å; A346-V348 PolarHBondContact O-N 2.97Å; V348-L355 HydrophobicContact CG1-CD2 4.02Å; V348-L355 HydrophobicContact CG1-CG 4.06Å; V348-L356 WeakPolarHBondContact CA-O 3.11Å; V348-F415 HydrophobicContact CG2-CD1 4.35Å; V348-F415 HydrophobicContact CG2-CE1 3.85Å; V348-F415 HydrophobicContact CG2-CZ 4.33Å; V348-W426 HydrophobicContact CB-CH2 3.79Å; V348-W426 HydrophobicContact CB-CZ3 4.08Å; V348-W426 HydrophobicContact CG1-CH2 3.94Å; V348-W426 HydrophobicContact CG1-CZ3 3.72Å; V348-W426 WeakPolarHBondContact O-CH2 3.41Å
349	V	95.9	Very high	88.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.3	-178.8	-175.7	0	0	0	0	108.6	I325 L328 L347 L356 Y358 W368	I325-V349 HydrophobicContact CD1-CG1 4.42Å; I325-V349 HydrophobicContact CG1-CG1 4.31Å; I325-V349 HydrophobicContact CG2-CG1 3.75Å; L328-V349 HydrophobicContact CB-CB 4.45Å; L328-V349 HydrophobicContact CB-CG1 4.3Å; L328-V349 HydrophobicContact CB-CG2 4.04Å; L347-V349 HydrophobicContact CG-CG2 4.28Å; V349-L356 HydrophobicContact CB-CB 4.23Å; V349-L356 PolarHBondContact N-O 2.85Å; V349-L356 PolarHBondContact O-N 3.42Å; V349-Y358 HydrophobicContact CB-CE2 4.26Å; V349-Y358 HydrophobicContact CG2-CD2 3.93Å; V349-Y358 HydrophobicContact CG2-CE2 3.73Å; V349-W368 HydrophobicContact CG2-CZ3 4.08Å
350	L	95.4	Very high	89.7	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.2	172.8	-61.7	174.8	0	0	0	109	R326 H327 L355 L377 W426 I430	R326-L350 PolarHBondContact N-O 3.28Å; H327-L350 HydrophobicContact CB-CB 4.3Å; H327-L350 HydrophobicContact CB-CD1 4.28Å; H327-L350 PolarHBondContact N-O 3.04Å; H327-L350 VanDerWaalsContact N-O 3.17Å; H327-L350 PolarHBondContact O-N 3.47Å; L350-L355 HydrophobicContact CD2-CB 3.94Å; L350-L355 HydrophobicContact CD2-CD1 3.81Å; L350-L355 HydrophobicContact CD2-CG 3.74Å; L350-L377 HydrophobicContact CD2-CD2 4.18Å; L350-W426 HydrophobicContact CD1-CE3 4.07Å; L350-W426 HydrophobicContact CD1-CZ3 3.85Å; L350-W426 HydrophobicContact CG-CZ3 3.92Å; L350-I430 HydrophobicContact CD1-CG1 3.87Å; L350-I430 HydrophobicContact CD2-CG1 4Å
351	T	93.9	Very high	91.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-171.5	169.7	73.3	0	0	0	0	109.8	S322 E324 K353 D354 L356 L377	S322-T351 WeakPolarHBondContact CB-OG1 3.46Å; S322-T351 WeakPolarHBondContact OG-CB 3.21Å; S322-T351 PolarHBondContact OG-OG1 2.83Å; E324-T351 CarbonylContact O-C 3.56Å; E324-T351 VanDerWaalsContact O-CA 3.29Å; E324-T351 WeakPolarHBondContact O-CA 3.31Å; T351-K353 PolarHBondContact O-N 3.16Å; T351-K353 PolarHBondContact OG1-N 3.41Å; T351-D354 PolarHBondContact N-O 2.93Å; T351-D354 PolarHBondContact OG1-N 3.38Å; T351-D354 PolarHBondContact OG1-O 3.21Å; T351-L356 HydrophobicContact CG2-CD1 3.88Å; T351-L356 HydrophobicContact CG2-CG 4.3Å; T351-L377 WeakPolarHBondContact O-CD1 3.42Å
352	E	91.3	Very high	92.7	Very high	36 Å²	36	24.5 Å²	24.5	17%	0.168	12%	0.123	C	C	.	.	S	Bend	trans	-70.7	-18.4	173.2	-48.9	-171.5	115	0	0	113.9	S322 E324 R326 S437 L440	S322-E352 PolarHBondContact OG-N 3.46Å; S322-E352 VanDerWaalsContact OG-N 3.13Å; E324-E352 HydrophobicContact CB-CG 3.77Å; E324-E352 WeakPolarHBondContact O-CG 3.07Å; E324-E352 PolarHBondContact O-N 3.34Å; R326-E352 HydrophobicContact CG-CG 4.46Å; R326-E352 IonicContact CZ-OE1 2.94Å; R326-E352 IonicContact NE-OE1 3.95Å; R326-E352 IonicContact NH2-OE1 2.92Å; R326-E352 PolarHBondContact NH2-OE1 3.13Å; E352-S437 WeakPolarHBondContact O-CB 3.18Å; E352-L440 HydrophobicContact CB-CD2 3.86Å
353	K	92.8	Very high	92.9	Very high	75 Å²	75	24.7 Å²	24.7	33%	0.326	12%	0.121	S	C	.	.	S	Bend	trans	-127.3	-29.9	-170.9	-66.7	-177.2	-178.1	174.3	0	113.5	G321 T351 P376 L377 L440	G321-K353 PolarHBondContact O-NZ 3.48Å; T351-K353 PolarHBondContact O-N 3.16Å; T351-K353 PolarHBondContact OG1-N 3.41Å; K353-P376 CarbonylContact O-C 3.58Å; K353-L377 WeakPolarHBondContact O-CB 3.28Å; K353-L377 PolarHBondContact O-N 3.43Å; K353-L440 HydrophobicContact CG-CD2 4.13Å
354	D	94.9	Very high	92.6	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.102	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.7	-168.1	-53.1	-67.7	0	0	0	112	T351 L356 T374 Y375 P376	T351-D354 PolarHBondContact N-O 2.93Å; T351-D354 PolarHBondContact OG1-N 3.38Å; T351-D354 PolarHBondContact OG1-O 3.21Å; D354-L356 HydrophobicContact CB-CD2 3.75Å; D354-L356 HydrophobicContact CB-CG 4.45Å; D354-T374 HydrophobicContact CB-CG2 4.17Å; D354-Y375 CarbonylContact C-O 3.54Å; D354-Y375 WeakPolarHBondContact CA-O 3.17Å; D354-P376 WeakPolarHBondContact OD1-CA 3.31Å
355	L	96	Very high	92.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	162	-175.3	159.4	0	0	0	107.7	V348 L350 I357 Y375 L377 T402 I430	V348-L355 HydrophobicContact CG1-CD2 4.02Å; V348-L355 HydrophobicContact CG1-CG 4.06Å; L350-L355 HydrophobicContact CD2-CB 3.94Å; L350-L355 HydrophobicContact CD2-CD1 3.81Å; L350-L355 HydrophobicContact CD2-CG 3.74Å; L355-I357 HydrophobicContact CD2-CD1 4.17Å; L355-I357 HydrophobicContact CD2-CG1 3.79Å; L355-Y375 HydrophobicContact CD2-CD2 4.15Å; L355-Y375 PolarHBondContact N-O 3.4Å; L355-Y375 PolarHBondContact O-N 2.93Å; L355-L377 HydrophobicContact CB-CD2 3.98Å; L355-T402 HydrophobicContact CD1-CG2 4.39Å; L355-I430 HydrophobicContact CD1-CD1 4.39Å; L355-I430 HydrophobicContact CD1-CG1 4.46Å
356	L	95.9	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.8	-178.6	-46.3	177.1	0	0	0	110	I319 A320 V348 V349 T351 D354 Y358 P371 H373 T374	I319-L356 HydrophobicContact CB-CD1 4.38Å; I319-L356 HydrophobicContact CG2-CD1 3.5Å; A320-L356 HydrophobicContact CB-CD1 4.49Å; A320-L356 HydrophobicContact CB-CD2 4.24Å; V348-L356 WeakPolarHBondContact CA-O 3.11Å; V349-L356 HydrophobicContact CB-CB 4.23Å; V349-L356 PolarHBondContact N-O 2.85Å; V349-L356 PolarHBondContact O-N 3.42Å; T351-L356 HydrophobicContact CG2-CD1 3.88Å; T351-L356 HydrophobicContact CG2-CG 4.3Å; D354-L356 HydrophobicContact CB-CD2 3.75Å; D354-L356 HydrophobicContact CB-CG 4.45Å; L356-Y358 HydrophobicContact CB-CE2 3.75Å; L356-Y358 HydrophobicContact CD1-CE2 4.35Å; L356-P371 HydrophobicContact CB-CB 4.16Å; L356-P371 HydrophobicContact CD2-CG 4.32Å; L356-H373 WeakPolarHBondContact CA-O 3.45Å; L356-T374 HydrophobicContact CD2-CG2 3.62Å
357	I	95.6	Very high	91.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.1	177	-53	-179.6	0	0	0	109.4	A346 L347 L355 V372 H373 Y375 F415	A346-I357 HydrophobicContact CB-CG2 4.04Å; L347-I357 WeakPolarHBondContact O-CA 3.49Å; L355-I357 HydrophobicContact CD2-CD1 4.17Å; L355-I357 HydrophobicContact CD2-CG1 3.79Å; I357-V372 WeakPolarHBondContact O-CB 3.31Å; I357-V372 PolarHBondContact O-N 3.45Å; I357-H373 HydrophobicContact CB-CB 4.18Å; I357-H373 HydrophobicContact CD1-CB 4.3Å; I357-H373 HydrophobicContact CG1-CB 4.38Å; I357-H373 PolarHBondContact N-O 2.81Å; I357-H373 PolarHBondContact O-N 2.93Å; I357-Y375 HydrophobicContact CD1-CD2 4.39Å; I357-Y375 HydrophobicContact CD1-CE2 3.95Å; I357-F415 HydrophobicContact CD1-CE1 4.31Å; I357-F415 HydrophobicContact CD1-CZ 3.88Å
358	Y	94.6	Very high	91.3	Very high	8 Å²	8	35.9 Å²	35.9	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.1	174.8	-56.5	-100.7	0	0	0	110.3	L347 V349 L356 S360 P362 W368 P371	L347-Y358 PolarHBondContact N-O 3.46Å; L347-Y358 PolarHBondContact O-N 3.1Å; V349-Y358 HydrophobicContact CB-CE2 4.26Å; V349-Y358 HydrophobicContact CG2-CD2 3.93Å; V349-Y358 HydrophobicContact CG2-CE2 3.73Å; L356-Y358 HydrophobicContact CB-CE2 3.75Å; L356-Y358 HydrophobicContact CD1-CE2 4.35Å; Y358-S360 VanDerWaalsContact C-N 3.29Å; Y358-S360 WeakPolarHBondContact CB-O 3.18Å; Y358-P362 HydrophobicContact CD1-CG 3.67Å; Y358-P362 HydrophobicContact CE1-CG 3.78Å; Y358-P362 HydrophobicContact CG-CG 4.19Å; Y358-W368 HydrophobicContact CE2-CE3 4.45Å; Y358-W368 HydrophobicContact CE2-CZ3 4.5Å; Y358-W368 PolarHBondContact OH-O 3.3Å; Y358-P371 HydrophobicContact CD1-CB 4.31Å; Y358-P371 HydrophobicContact CE1-CB 3.8Å; Y358-P371 HydrophobicContact CE2-CB 4.15Å
359	D	91.3	Very high	90.9	Very high	75 Å²	75	40.4 Å²	40.4	40%	0.401	19%	0.193	S	C	.	.	S	Bend	trans	-77.8	-15.9	172.8	-66.8	-43.5	0	0	0	112.4	K344 V372	K344-D359 IonicContact NZ-OD1 3.64Å; K344-D359 PolarHBondContact NZ-OD1 3.39Å; D359-V372 HydrophobicContact CB-CG2 4.43Å; D359-V372 WeakPolarHBondContact OD2-CG2 3.33Å
360	S	91.7	Very high	90.6	Very high	52 Å²	52	44.8 Å²	44.8	36%	0.364	22%	0.224	S	C	.	.	S	Bend	trans	-150.8	157.5	179.5	61.7	0	0	0	0	112.3	Y358 P362	Y358-S360 VanDerWaalsContact C-N 3.29Å; Y358-S360 WeakPolarHBondContact CB-O 3.18Å; S360-P362 VanDerWaalsContact O-CD 3.22Å; S360-P362 WeakPolarHBondContact O-CD 3.22Å
361	M	90.4	Very high	90.5	Very high	27 Å²	27	45.9 Å²	45.9	13%	0.133	23%	0.231	C	C	.	.			trans	-64.1	117.7	174.3	-178.5	63.8	-178.4	0	0	111	M250 P272 V306 V310 W330 L347 R363 W368	M250-M361 HydrophobicContact CB-CG 4.44Å; M250-M361 HydrophobicContact CE-SD 3.84Å; M250-M361 HydrophobicContact CG-CE 4.11Å; M250-M361 HydrophobicContact CG-CG 4.34Å; M250-M361 HydrophobicContact CG-SD 4.1Å; P272-M361 HydrophobicContact CB-CB 4.03Å; P272-M361 WeakPolarHBondContact O-CB 3.49Å; P272-M361 PolarHBondContact O-N 3.27Å; V306-M361 HydrophobicContact CG1-CE 3.98Å; V310-M361 HydrophobicContact CG2-CE 3.97Å; W330-M361 HydrophobicContact CZ2-CB 4.46Å; L347-M361 HydrophobicContact CD2-CB 4.29Å; L347-M361 HydrophobicContact CD2-SD 3.68Å; M361-R363 PolarHBondContact O-N 3.31Å; M361-W368 HydrophobicContact CE-CH2 3.97Å; M361-W368 HydrophobicContact CE-CZ2 3.61Å; M361-W368 HydrophobicContact SD-CH2 4.17Å; M361-W368 HydrophobicContact SD-CZ2 4.21Å
362	P	88.9	Confident	90.5	Very high	10 Å²	10	49 Å²	49	7%	0.065	25%	0.25	C	S	.	.			trans	-61.6	126	176.2	-23	35	0	0	0	111	Y358 S360 A367 W368	Y358-P362 HydrophobicContact CD1-CG 3.67Å; Y358-P362 HydrophobicContact CE1-CG 3.78Å; Y358-P362 HydrophobicContact CG-CG 4.19Å; S360-P362 VanDerWaalsContact O-CD 3.22Å; S360-P362 WeakPolarHBondContact O-CD 3.22Å; P362-A367 HydrophobicContact CB-CB 3.86Å; P362-W368 HydrophobicContact CB-CD2 3.8Å; P362-W368 HydrophobicContact CB-CE3 4.41Å; P362-W368 HydrophobicContact CB-CG 3.9Å; P362-W368 HydrophobicContact CB-CZ2 4.25Å; P362-W368 HydrophobicContact CG-CD2 3.84Å; P362-W368 HydrophobicContact CG-CE3 3.94Å; P362-W368 HydrophobicContact CG-CG 4.31Å; P362-W368 HydrophobicContact CG-CH2 4.4Å; P362-W368 HydrophobicContact CG-CZ2 4.29Å; P362-W368 HydrophobicContact CG-CZ3 4.25Å
363	R	82.8	Confident	90.6	Very high	87 Å²	87	50.3 Å²	50.3	33%	0.328	26%	0.256	S	S	.	.			trans	-94.8	-25.4	179.7	-63.3	-171.1	-173.9	164	13	114	T216 P217 D273 M361	T216-R363 VanDerWaalsContact CB-NH2 3.27Å; P217-R363 VanDerWaalsContact CD-NH1 3.3Å; P217-R363 PolarHBondContact O-NH1 2.73Å; D273-R363 IonicContact OD2-NH2 3.79Å; D273-R363 PolarHBondContact OD2-NH2 2.86Å; M361-R363 PolarHBondContact O-N 3.31Å
364	R	82.5	Confident	90.7	Very high	117 Å²	117	49.8 Å²	49.8	44%	0.442	26%	0.259	S	S	.	.	S	Bend	trans	-114.8	154.9	-179.7	-55.7	-173	-169.7	137.4	5.6	109.7	E220 E366 A367	E220-R364 IonicContact OE2-NH2 2.65Å; E220-R364 PolarHBondContact OE2-NH2 2.98Å; R364-E366 VanDerWaalsContact CB-OE2 3.31Å; R364-E366 WeakPolarHBondContact CB-OE2 3.17Å; R364-E366 PolarHBondContact O-N 2.86Å; R364-A367 PolarHBondContact O-N 3Å
365	K	83.8	Confident	90.7	Very high	74 Å²	74	49.3 Å²	49.3	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-39	-179.1	-174.4	171.5	-179.3	153.7	0	111.8	Q313 L314 T317 A367 W368 F369	Q313-K365 PolarHBondContact O-NZ 3.05Å; L314-K365 HydrophobicContact CD2-CG 4.3Å; L314-K365 PolarHBondContact O-NZ 3.02Å; T317-K365 WeakPolarHBondContact OG1-CE 3.37Å; T317-K365 PolarHBondContact OG1-NZ 3.23Å; K365-A367 VanDerWaalsContact C-N 3.32Å; K365-A367 PolarHBondContact O-N 2.75Å; K365-W368 WeakPolarHBondContact O-CB 3.39Å; K365-W368 PolarHBondContact O-N 2.98Å; K365-F369 HydrophobicContact CG-CE2 4.21Å; K365-F369 VanDerWaalsContact O-CD2 3.32Å; K365-F369 WeakPolarHBondContact O-CD2 3.26Å; K365-F369 WeakPolarHBondContact O-CE2 3.43Å
366	E	85.9	Confident	90.6	Very high	124 Å²	124	52 Å²	52	58%	0.579	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.5	-35.6	-176.8	-57.3	69.6	-143.2	0	0	111.8	R364 W368 F369	R364-E366 VanDerWaalsContact CB-OE2 3.31Å; R364-E366 WeakPolarHBondContact CB-OE2 3.17Å; R364-E366 PolarHBondContact O-N 2.86Å; E366-W368 PolarHBondContact O-N 2.89Å; E366-F369 PolarHBondContact O-N 3.25Å
367	A	87.1	Confident	90.6	Very high	41 Å²	41	52 Å²	52	34%	0.339	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.9	-178.6	0	0	0	0	0	112.6	P362 R364 K365 F369 S370	P362-A367 HydrophobicContact CB-CB 3.86Å; R364-A367 PolarHBondContact O-N 3Å; K365-A367 VanDerWaalsContact C-N 3.32Å; K365-A367 PolarHBondContact O-N 2.75Å; A367-F369 PolarHBondContact O-N 3Å; A367-S370 PolarHBondContact O-N 2.99Å; A367-S370 VanDerWaalsContact O-N 3.17Å
368	W	89	Confident	90.6	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.7	-19	172.9	-71.6	99.6	0	0	0	113.2	V310 L314 I319 I325 V349 Y358 M361 P362 K365 E366 S370	V310-W368 HydrophobicContact CB-CZ2 4.2Å; V310-W368 HydrophobicContact CG1-CD2 4.34Å; V310-W368 HydrophobicContact CG1-CH2 3.65Å; V310-W368 HydrophobicContact CG1-CZ2 3.4Å; V310-W368 VanDerWaalsContact CG1-CZ2 3.4Å; V310-W368 HydrophobicContact CG1-CZ3 4.21Å; V310-W368 HydrophobicContact CG2-CH2 4.06Å; V310-W368 HydrophobicContact CG2-CZ2 3.59Å; L314-W368 HydrophobicContact CD2-CB 3.87Å; L314-W368 HydrophobicContact CD2-CG 3.96Å; I319-W368 HydrophobicContact CD1-CB 4.06Å; I319-W368 HydrophobicContact CD1-CD2 3.94Å; I319-W368 HydrophobicContact CD1-CE3 3.4Å; I319-W368 HydrophobicContact CD1-CG 4.26Å; I319-W368 HydrophobicContact CD1-CZ3 4.1Å; I319-W368 HydrophobicContact CG1-CB 4.04Å; I319-W368 WeakPolarHBondContact CG2-O 3.31Å; I325-W368 HydrophobicContact CD1-CZ3 4.39Å; V349-W368 HydrophobicContact CG2-CZ3 4.08Å; Y358-W368 HydrophobicContact CE2-CE3 4.45Å; Y358-W368 HydrophobicContact CE2-CZ3 4.5Å; Y358-W368 PolarHBondContact OH-O 3.3Å; M361-W368 HydrophobicContact CE-CH2 3.97Å; M361-W368 HydrophobicContact CE-CZ2 3.61Å; M361-W368 HydrophobicContact SD-CH2 4.17Å; M361-W368 HydrophobicContact SD-CZ2 4.21Å; P362-W368 HydrophobicContact CB-CD2 3.8Å; P362-W368 HydrophobicContact CB-CE3 4.41Å; P362-W368 HydrophobicContact CB-CG 3.9Å; P362-W368 HydrophobicContact CB-CZ2 4.25Å; P362-W368 HydrophobicContact CG-CD2 3.84Å; P362-W368 HydrophobicContact CG-CE3 3.94Å; P362-W368 HydrophobicContact CG-CG 4.31Å; P362-W368 HydrophobicContact CG-CH2 4.4Å; P362-W368 HydrophobicContact CG-CZ2 4.29Å; P362-W368 HydrophobicContact CG-CZ3 4.25Å; K365-W368 WeakPolarHBondContact O-CB 3.39Å; K365-W368 PolarHBondContact O-N 2.98Å; E366-W368 PolarHBondContact O-N 2.89Å; W368-S370 VanDerWaalsContact C-N 3.31Å
369	F	88.8	Confident	90.7	Very high	95 Å²	95	52 Å²	52	42%	0.417	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-89.6	1.8	176.5	-59.4	-82.1	0	0	0	113.1	G318 K365 E366 A367 P371	G318-F369 WeakPolarHBondContact O-CE1 3.39Å; G318-F369 WeakPolarHBondContact O-CZ 3.38Å; K365-F369 HydrophobicContact CG-CE2 4.21Å; K365-F369 VanDerWaalsContact O-CD2 3.32Å; K365-F369 WeakPolarHBondContact O-CD2 3.26Å; K365-F369 WeakPolarHBondContact O-CE2 3.43Å; E366-F369 PolarHBondContact O-N 3.25Å; A367-F369 PolarHBondContact O-N 3Å; F369-P371 WeakPolarHBondContact O-CD 3.26Å
370	S	90.3	Very high	90.9	Very high	92 Å²	92	48.5 Å²	48.5	64%	0.643	26%	0.256	S	S	*	.			trans	-123.8	59.3	-178.9	-57	0	0	0	0	111.7	A367 W368	A367-S370 PolarHBondContact O-N 2.99Å; A367-S370 VanDerWaalsContact O-N 3.17Å; W368-S370 VanDerWaalsContact C-N 3.31Å
371	P	93.4	Very high	90.9	Very high	27 Å²	27	49.9 Å²	49.9	18%	0.175	25%	0.253	C	S	.	.			trans	-63.3	151.6	170.5	30.3	-35.9	0	0	0	110.8	L356 Y358 F369 T374	L356-P371 HydrophobicContact CB-CB 4.16Å; L356-P371 HydrophobicContact CD2-CG 4.32Å; Y358-P371 HydrophobicContact CD1-CB 4.31Å; Y358-P371 HydrophobicContact CE1-CB 3.8Å; Y358-P371 HydrophobicContact CE2-CB 4.15Å; F369-P371 WeakPolarHBondContact O-CD 3.26Å; P371-T374 WeakPolarHBondContact CG-OG1 3.29Å
372	V	92.9	Very high	91	Very high	68 Å²	68	50.8 Å²	50.8	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	-67.3	-42.7	174.8	-175.2	0	0	0	0	109.8	I357 D359	I357-V372 WeakPolarHBondContact O-CB 3.31Å; I357-V372 PolarHBondContact O-N 3.45Å; D359-V372 HydrophobicContact CB-CG2 4.43Å; D359-V372 WeakPolarHBondContact OD2-CG2 3.33Å
373	H	93.3	Very high	90.7	Very high	63 Å²	63	54.1 Å²	54.1	29%	0.292	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.7	175.2	-56.2	97.9	0	0	0	111	L356 I357 Y375	L356-H373 WeakPolarHBondContact CA-O 3.45Å; I357-H373 HydrophobicContact CB-CB 4.18Å; I357-H373 HydrophobicContact CD1-CB 4.3Å; I357-H373 HydrophobicContact CG1-CB 4.38Å; I357-H373 PolarHBondContact N-O 2.81Å; I357-H373 PolarHBondContact O-N 2.93Å; H373-Y375 HydrophobicContact CB-CD2 4.26Å; H373-Y375 HydrophobicContact CB-CE2 3.51Å; H373-Y375 PolarHBondContact CD2-OH 3.36Å
374	T	94.6	Very high	90.4	Very high	64 Å²	64	53.5 Å²	53.5	39%	0.393	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.3	175	-63.1	0	0	0	0	109	D354 L356 P371	D354-T374 HydrophobicContact CB-CG2 4.17Å; L356-T374 HydrophobicContact CD2-CG2 3.62Å; P371-T374 WeakPolarHBondContact CG-OG1 3.29Å
375	Y	95.2	Very high	89.7	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.8	-178.3	-63.7	-56.2	0	0	0	110.9	D354 L355 I357 H373 L377 T404 T406 E411 H413	D354-Y375 CarbonylContact C-O 3.54Å; D354-Y375 WeakPolarHBondContact CA-O 3.17Å; L355-Y375 HydrophobicContact CD2-CD2 4.15Å; L355-Y375 PolarHBondContact N-O 3.4Å; L355-Y375 PolarHBondContact O-N 2.93Å; I357-Y375 HydrophobicContact CD1-CD2 4.39Å; I357-Y375 HydrophobicContact CD1-CE2 3.95Å; H373-Y375 HydrophobicContact CB-CD2 4.26Å; H373-Y375 HydrophobicContact CB-CE2 3.51Å; H373-Y375 PolarHBondContact CD2-OH 3.36Å; Y375-L377 PolarHBondContact O-N 2.88Å; Y375-T404 HydrophobicContact CD1-CG2 3.75Å; Y375-T404 HydrophobicContact CG-CG2 4.2Å; Y375-T406 HydrophobicContact CE1-CG2 4.48Å; Y375-E411 VanDerWaalsContact CE1-OE2 3.27Å; Y375-E411 WeakPolarHBondContact CE1-OE2 3.36Å; Y375-E411 PolarHBondContact OH-OE2 3.48Å; Y375-E411 VanDerWaalsContact OH-OE2 3.04Å; Y375-H413 AromaticContact CE2-CD2 3.65Å; Y375-H413 AromaticContact CE2-CE1 3.89Å; Y375-H413 AromaticContact CE2-NE2 3.26Å; Y375-H413 VanDerWaalsContact CE2-NE2 3.26Å; Y375-H413 WeakPolarHBondContact CE2-NE2 3.31Å; Y375-H413 AromaticContact CZ-CD2 3.88Å; Y375-H413 AromaticContact CZ-NE2 3.2Å; Y375-H413 PolarHBondContact OH-CE1 2.91Å; Y375-H413 PolarHBondContact OH-NE2 2.82Å
376	P	95.2	Very high	88.6	Confident	58 Å²	58	47.9 Å²	47.9	38%	0.377	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	124.7	175.4	-22.3	33	0	0	0	110.3	K353 D354 L378 A379 T380	K353-P376 CarbonylContact O-C 3.58Å; D354-P376 WeakPolarHBondContact OD1-CA 3.31Å; P376-L378 PolarHBondContact O-N 3.24Å; P376-A379 HydrophobicContact CB-CB 4.31Å; P376-A379 CarbonylContact O-C 3.5Å; P376-A379 PolarHBondContact O-N 3.04Å; P376-T380 WeakPolarHBondContact O-CB 3.39Å; P376-T380 PolarHBondContact O-N 3.45Å; P376-T380 PolarHBondContact O-OG1 3.05Å
377	L	95.9	Very high	87	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58	-35.2	177.5	-71.2	173.6	0	0	0	111.1	L350 T351 K353 L355 Y375 A379 T380 C434	L350-L377 HydrophobicContact CD2-CD2 4.18Å; T351-L377 WeakPolarHBondContact O-CD1 3.42Å; K353-L377 WeakPolarHBondContact O-CB 3.28Å; K353-L377 PolarHBondContact O-N 3.43Å; L355-L377 HydrophobicContact CB-CD2 3.98Å; Y375-L377 PolarHBondContact O-N 2.88Å; L377-A379 PolarHBondContact O-N 3.29Å; L377-T380 PolarHBondContact O-N 3.28Å; L377-T380 VanDerWaalsContact O-N 3.1Å; L377-T380 VanDerWaalsContact O-O 3.1Å; L377-C434 PolarHBondContact O-SG 2.82Å
378	L	95.1	Very high	85.3	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.1	-32.6	176.3	-163.8	67.7	0	0	0	113	P376 A438 I441 I444 I524 S527 F528	P376-L378 PolarHBondContact O-N 3.24Å; L378-A438 VanDerWaalsContact CD1-CA 3.44Å; L378-A438 HydrophobicContact CD1-CB 3.73Å; L378-I441 HydrophobicContact CB-CD1 4.01Å; L378-I441 HydrophobicContact CD2-CB 4.32Å; L378-I441 HydrophobicContact CD2-CD1 3.81Å; L378-I441 HydrophobicContact CD2-CG2 3.99Å; L378-I441 HydrophobicContact CG-CD1 4.37Å; L378-I444 HydrophobicContact CD2-CG2 3.73Å; L378-I524 HydrophobicContact CB-CG1 4.39Å; L378-I524 HydrophobicContact CD2-CB 4.38Å; L378-I524 HydrophobicContact CD2-CD1 4.31Å; L378-I524 HydrophobicContact CD2-CG1 3.97Å; L378-I524 HydrophobicContact CD2-CG2 3.62Å; L378-I524 HydrophobicContact CG-CB 4.26Å; L378-I524 HydrophobicContact CG-CG1 3.84Å; L378-I524 HydrophobicContact CG-CG2 3.83Å; L378-I524 WeakPolarHBondContact O-CA 3.47Å; L378-S527 VanDerWaalsContact O-CB 3.25Å; L378-S527 WeakPolarHBondContact O-CB 3.37Å; L378-S527 PolarHBondContact O-OG 3.16Å; L378-F528 HydrophobicContact CD1-CD1 4.02Å; L378-F528 HydrophobicContact CD1-CE1 3.68Å; L378-F528 HydrophobicContact CD1-CZ 4.31Å; L378-F528 HydrophobicContact CD2-CE1 4.27Å; L378-F528 HydrophobicContact CD2-CZ 4.1Å
379	A	96.1	Very high	83.1	Confident	4 Å²	4	55 Å²	55	3%	0.033	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-100.9	8.3	177.6	0	0	0	0	0	112.9	P376 L377 T404 G405 F523 I524	P376-A379 HydrophobicContact CB-CB 4.31Å; P376-A379 CarbonylContact O-C 3.5Å; P376-A379 PolarHBondContact O-N 3.04Å; L377-A379 PolarHBondContact O-N 3.29Å; A379-T404 HydrophobicContact CB-CG2 4.45Å; A379-T404 WeakPolarHBondContact O-CA 3.26Å; A379-G405 PolarHBondContact O-N 2.85Å; A379-F523 HydrophobicContact CB-CB 4.47Å; A379-F523 WeakPolarHBondContact O-CD1 3.17Å; A379-I524 HydrophobicContact CB-CG1 4.16Å
380	T	95.8	Very high	80.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.9	-177.5	-60.1	0	0	0	0	110.2	P376 L377 T402 R403 T404 C434	P376-T380 WeakPolarHBondContact O-CB 3.39Å; P376-T380 PolarHBondContact O-N 3.45Å; P376-T380 PolarHBondContact O-OG1 3.05Å; L377-T380 PolarHBondContact O-N 3.28Å; L377-T380 VanDerWaalsContact O-N 3.1Å; L377-T380 VanDerWaalsContact O-O 3.1Å; T380-T402 HydrophobicContact CG2-CG2 4.49Å; T380-R403 CarbonylContact C-O 3.53Å; T380-R403 WeakPolarHBondContact CA-O 3.42Å; T380-T404 WeakPolarHBondContact CG2-OG1 3.13Å; T380-T404 WeakPolarHBondContact OG1-CG2 3.35Å; T380-T404 PolarHBondContact OG1-OG1 2.91Å; T380-C434 PolarHBondContact O-SG 3.4Å
381	R	92.8	Very high	78.4	Confident	81 Å²	81	53.6 Å²	53.6	31%	0.306	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.6	177.3	-57.9	-171.4	89.1	-172.1	6.1	111.4	T402 R403 F523 H526	R381-T402 CarbonylContact O-C 3.56Å; R381-T402 WeakPolarHBondContact O-CA 3.44Å; R381-R403 PolarHBondContact N-O 2.76Å; R381-R403 PolarHBondContact O-N 3.34Å; R381-F523 HydrophobicContact CB-CD1 4.42Å; R381-F523 HydrophobicContact CB-CE1 4.34Å; R381-F523 HydrophobicContact CG-CD1 3.78Å; R381-F523 HydrophobicContact CG-CE1 4.15Å; R381-H526 VanDerWaalsContact NH1-CG 3.32Å
382	L	92.1	Very high	75.9	Confident	46 Å²	46	57.3 Å²	57.3	24%	0.241	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127	166.2	-171.7	74.6	0	0	0	108.8	F400 T427 V431	L382-F400 HydrophobicContact CD1-CB 4.07Å; L382-F400 HydrophobicContact CD1-CD2 3.65Å; L382-F400 HydrophobicContact CD1-CG 4.24Å; L382-T427 HydrophobicContact CD1-CG2 4.12Å; L382-T427 HydrophobicContact CD2-CG2 3.88Å; L382-V431 HydrophobicContact CB-CG2 4.11Å; L382-V431 HydrophobicContact CD2-CG2 3.87Å
383	V	82.7	Confident	73.4	Confident	80 Å²	80	61.5 Å²	61.5	49%	0.485	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-25.7	-176.3	-64.4	0	0	0	0	114.8	A401 R403	V383-A401 HydrophobicContact CG2-CB 3.85Å; V383-A401 WeakPolarHBondContact CG2-O 3.19Å; V383-A401 PolarHBondContact N-O 2.78Å; V383-R403 HydrophobicContact CB-CG 4.36Å; V383-R403 HydrophobicContact CG1-CB 4.07Å; V383-R403 HydrophobicContact CG1-CG 3.75Å; V383-R403 HydrophobicContact CG2-CG 3.72Å
384	H	76.3	Confident	70.8	Confident	74 Å²	74	64 Å²	64	34%	0.343	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.9	178.7	178.7	73.5	0	0	0	108.5	G386 F400 A401	H384-G386 PolarHBondContact NE2-O 2.96Å; H384-F400 CarbonylContact O-C 3.57Å; H384-F400 WeakPolarHBondContact O-CA 3.18Å; H384-F400 VanDerWaalsContact O-CB 3.28Å; H384-F400 WeakPolarHBondContact O-CB 3.48Å; H384-A401 HydrophobicContact CB-CB 4.23Å; H384-A401 PolarHBondContact O-N 3.01Å
385	S	66.9	Low	68.7	Low	63 Å²	63	64.3 Å²	64.3	44%	0.441	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	114.5	168.9	60.5	0	0	0	0	107.9
386	G	60.7	Low	66.8	Low	11 Å²	11	66 Å²	66	11%	0.113	42%	0.417	C	S	.	.	S	Bend	trans	144.6	172.5	175.7	0	0	0	0	0	114.1	H384 G388 S399	H384-G386 PolarHBondContact NE2-O 2.96Å; G386-G388 PolarHBondContact O-N 2.84Å; G386-S399 PolarHBondContact N-O 2.83Å
387	P	53	Low	65.4	Low	51 Å²	51	66.8 Å²	66.8	33%	0.331	42%	0.418	S	S	.	.	S	Bend	trans	-53.2	133.4	174.1	21.9	-31.3	0	0	0	109.5	P392 V396	P387-P392 HydrophobicContact CG-CB 4.49Å; P387-V396 HydrophobicContact CB-CB 3.81Å; P387-V396 HydrophobicContact CB-CG1 3.22Å; P387-V396 HydrophobicContact CB-CG2 4.21Å
388	G	52.1	Low	65	Low	43 Å²	43	69.2 Å²	69.2	44%	0.443	43%	0.43	S	S	.	.	S	Bend	trans	-49	144.2	173.7	0	0	0	0	0	110.7	G386 G390	G386-G388 PolarHBondContact O-N 2.84Å; G388-G390 PolarHBondContact O-N 2.83Å
389	K	41.2	Very low	64.7	Low	222 Å²	222	69.4 Å²	69.4	97%	0.965	43%	0.432	S	S	*	.	S	Bend	trans	-28.2	103.8	-170.9	-69.5	-176	177.6	-179.8	0	113.9
390	G	44.2	Very low	64.5	Low	56 Å²	56	69.2 Å²	69.2	58%	0.577	43%	0.431	S	S	*	.	S	Bend	trans	152.5	165.6	178.6	0	0	0	0	0	113	G388	G388-G390 PolarHBondContact O-N 2.83Å
391	S	37.1	Very low	64.4	Low	100 Å²	100	69.7 Å²	69.7	70%	0.699	43%	0.434	S	S	*	.			trans	-65.7	143.1	173.8	51.3	0	0	0	0	111	Q393	S391-Q393 PolarHBondContact O-N 3.41Å; S391-Q393 VanDerWaalsContact O-N 3.15Å
392	P	41.3	Very low	64.5	Low	106 Å²	106	65.9 Å²	65.9	69%	0.688	42%	0.42	S	S	*	.			trans	-70.1	112.3	-175.5	25.9	-31.6	0	0	0	111.3	P387 V396	P387-P392 HydrophobicContact CG-CB 4.49Å; P392-V396 HydrophobicContact CB-CG2 4.35Å
393	Q	39.3	Very low	64.7	Low	156 Å²	156	68.2 Å²	68.2	73%	0.729	43%	0.425	S	S	*	.			trans	-89.5	156.7	163.6	-67.4	-177	-7.3	0	0	110.1	S391 G395 V396	S391-Q393 PolarHBondContact O-N 3.41Å; S391-Q393 VanDerWaalsContact O-N 3.15Å; Q393-G395 PolarHBondContact O-N 3.03Å; Q393-G395 VanDerWaalsContact O-N 3.08Å; Q393-V396 HydrophobicContact CB-CG2 4.42Å; Q393-V396 WeakPolarHBondContact O-CG2 3.43Å; Q393-V396 PolarHBondContact O-N 3.07Å
394	A	39	Very low	65.3	Low	115 Å²	115	64.4 Å²	64.4	95%	0.95	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	118	171.9	0	0	0	0	0	109.2
395	G	50.4	Low	66.1	Low	71 Å²	71	61.1 Å²	61.1	73%	0.732	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.5	15	-175.1	0	0	0	0	0	115.9	Q393	Q393-G395 PolarHBondContact O-N 3.03Å; Q393-G395 VanDerWaalsContact O-N 3.08Å
396	V	55.2	Low	67.4	Low	45 Å²	45	59.1 Å²	59.1	27%	0.273	37%	0.374	S	S	.	.			trans	-71.8	133	171.8	-161.7	0	0	0	0	111.6	P387 P392 Q393 L398	P387-V396 HydrophobicContact CB-CB 3.81Å; P387-V396 HydrophobicContact CB-CG1 3.22Å; P387-V396 HydrophobicContact CB-CG2 4.21Å; P392-V396 HydrophobicContact CB-CG2 4.35Å; Q393-V396 HydrophobicContact CB-CG2 4.42Å; Q393-V396 WeakPolarHBondContact O-CG2 3.43Å; Q393-V396 PolarHBondContact O-N 3.07Å; V396-L398 PolarHBondContact O-N 2.69Å
397	D	66.3	Low	68.7	Low	74 Å²	74	68.8 Å²	68.8	40%	0.396	41%	0.407	S	S	.	.			trans	-54.2	108.1	174.2	-74.3	-33.7	0	0	0	110.9	S399	D397-S399 PolarHBondContact O-N 3.44Å; D397-S399 PolarHBondContact O-OG 2.84Å
398	L	87	Confident	70.4	Confident	50 Å²	50	75 Å²	75	26%	0.262	43%	0.431	S	S	.	.			trans	-70.9	80	171.7	-65.2	176.8	0	0	0	108.6	V396 A417 L423	V396-L398 PolarHBondContact O-N 2.69Å; L398-A417 WeakPolarHBondContact CB-O 3.24Å; L398-A417 PolarHBondContact O-N 2.8Å; L398-L423 HydrophobicContact CB-CD2 4.17Å; L398-L423 HydrophobicContact CD2-CD2 4.2Å
399	S	89.2	Confident	72.3	Confident	9 Å²	9	73.6 Å²	73.6	6%	0.063	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.7	-170.2	61.1	0	0	0	0	113	G386 D397 F415	G386-S399 PolarHBondContact N-O 2.83Å; D397-S399 PolarHBondContact O-N 3.44Å; D397-S399 PolarHBondContact O-OG 2.84Å; S399-F415 CarbonylContact C-O 3.59Å; S399-F415 WeakPolarHBondContact CA-O 3.08Å; S399-F415 WeakPolarHBondContact CB-O 3.39Å
400	F	92.8	Very high	74.8	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.3	170.7	70.4	-88.6	0	0	0	110.2	L331 L382 H384 T402 F415 L423 W426 T427 I430	L331-F400 HydrophobicContact CD1-CE1 3.96Å; L331-F400 HydrophobicContact CD1-CZ 3.61Å; L331-F400 HydrophobicContact CD2-CE1 4.2Å; L382-F400 HydrophobicContact CD1-CB 4.07Å; L382-F400 HydrophobicContact CD1-CD2 3.65Å; L382-F400 HydrophobicContact CD1-CG 4.24Å; H384-F400 CarbonylContact O-C 3.57Å; H384-F400 WeakPolarHBondContact O-CA 3.18Å; H384-F400 VanDerWaalsContact O-CB 3.28Å; H384-F400 WeakPolarHBondContact O-CB 3.48Å; F400-T402 HydrophobicContact CD2-CG2 4.34Å; F400-T402 HydrophobicContact CE2-CG2 4.13Å; F400-F415 HydrophobicContact CD1-CB 4.07Å; F400-F415 HydrophobicContact CD2-CB 4.43Å; F400-F415 HydrophobicContact CD2-CD2 4.11Å; F400-F415 HydrophobicContact CE1-CB 3.63Å; F400-F415 HydrophobicContact CE1-CG 4.42Å; F400-F415 HydrophobicContact CE2-CB 4.01Å; F400-F415 AromaticContact CE2-CD2 3.44Å; F400-F415 HydrophobicContact CE2-CD2 3.44Å; F400-F415 VanDerWaalsContact CE2-CD2 3.44Å; F400-F415 HydrophobicContact CE2-CE2 4.28Å; F400-F415 HydrophobicContact CE2-CG 4.07Å; F400-F415 HydrophobicContact CG-CB 4.47Å; F400-F415 HydrophobicContact CZ-CB 3.61Å; F400-F415 AromaticContact CZ-CD2 3.74Å; F400-F415 HydrophobicContact CZ-CD2 3.74Å; F400-F415 AromaticContact CZ-CG 3.9Å; F400-F415 HydrophobicContact CZ-CG 3.9Å; F400-F415 PolarHBondContact N-O 3.13Å; F400-F415 PolarHBondContact O-N 3.31Å; F400-L423 HydrophobicContact CB-CD1 3.91Å; F400-L423 HydrophobicContact CD1-CD1 3.67Å; F400-L423 HydrophobicContact CG-CD1 4.23Å; F400-W426 HydrophobicContact CE1-CB 3.87Å; F400-W426 HydrophobicContact CE1-CG 4.34Å; F400-W426 HydrophobicContact CZ-CB 3.99Å; F400-W426 HydrophobicContact CZ-CG 4.41Å; F400-T427 HydrophobicContact CB-CG2 3.86Å; F400-T427 HydrophobicContact CD1-CG2 4.4Å; F400-T427 HydrophobicContact CG-CG2 4.05Å; F400-I430 HydrophobicContact CD2-CD1 4.23Å; F400-I430 HydrophobicContact CE2-CD1 3.41Å; F400-I430 VanDerWaalsContact CE2-CD1 3.41Å; F400-I430 HydrophobicContact CZ-CD1 3.93Å
401	A	92.6	Very high	77.1	Confident	9 Å²	9	65.8 Å²	65.8	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.9	178.5	0	0	0	0	0	111.5	V383 H384 H413 L414	V383-A401 HydrophobicContact CG2-CB 3.85Å; V383-A401 WeakPolarHBondContact CG2-O 3.19Å; V383-A401 PolarHBondContact N-O 2.78Å; H384-A401 HydrophobicContact CB-CB 4.23Å; H384-A401 PolarHBondContact O-N 3.01Å; A401-H413 CarbonylContact C-O 3.53Å; A401-H413 WeakPolarHBondContact CA-O 3.49Å; A401-L414 HydrophobicContact CB-CD1 3.93Å
402	T	95.2	Very high	79.7	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.2	168.3	60.4	0	0	0	0	109.7	L355 T380 R381 F400 T412 H413 F415 I430	L355-T402 HydrophobicContact CD1-CG2 4.39Å; T380-T402 HydrophobicContact CG2-CG2 4.49Å; R381-T402 CarbonylContact O-C 3.56Å; R381-T402 WeakPolarHBondContact O-CA 3.44Å; F400-T402 HydrophobicContact CD2-CG2 4.34Å; F400-T402 HydrophobicContact CE2-CG2 4.13Å; T402-T412 VanDerWaalsContact O-CA 3.32Å; T402-T412 WeakPolarHBondContact O-CA 3.46Å; T402-H413 PolarHBondContact N-O 3.26Å; T402-H413 PolarHBondContact O-N 3.09Å; T402-F415 HydrophobicContact CG2-CE2 4.25Å; T402-I430 HydrophobicContact CG2-CD1 4.13Å
403	R	95.3	Very high	82.1	Confident	95 Å²	95	60.6 Å²	60.6	36%	0.358	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135	169	-64.8	-177.5	87.1	-172.1	-0.5	108.9	T380 R381 V383 I410 E411 T412 F523	T380-R403 CarbonylContact C-O 3.53Å; T380-R403 WeakPolarHBondContact CA-O 3.42Å; R381-R403 PolarHBondContact N-O 2.76Å; R381-R403 PolarHBondContact O-N 3.34Å; V383-R403 HydrophobicContact CB-CG 4.36Å; V383-R403 HydrophobicContact CG1-CB 4.07Å; V383-R403 HydrophobicContact CG1-CG 3.75Å; V383-R403 HydrophobicContact CG2-CG 3.72Å; R403-I410 HydrophobicContact CB-CG2 3.93Å; R403-I410 HydrophobicContact CG-CG2 4.36Å; R403-E411 CarbonylContact C-O 3.56Å; R403-E411 VanDerWaalsContact CA-O 3.26Å; R403-E411 WeakPolarHBondContact CA-O 3.3Å; R403-T412 HydrophobicContact CG-CG2 4.03Å; R403-F523 HydrophobicContact CB-CE1 3.92Å; R403-F523 HydrophobicContact CB-CZ 4.15Å; R403-F523 WeakPolarHBondContact O-CE1 3.24Å
404	T	95.9	Very high	84.6	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	178.1	-55.7	0	0	0	0	109.5	Y375 A379 T380 T406 I410 E411	Y375-T404 HydrophobicContact CD1-CG2 3.75Å; Y375-T404 HydrophobicContact CG-CG2 4.2Å; A379-T404 HydrophobicContact CB-CG2 4.45Å; A379-T404 WeakPolarHBondContact O-CA 3.26Å; T380-T404 WeakPolarHBondContact CG2-OG1 3.13Å; T380-T404 WeakPolarHBondContact OG1-CG2 3.35Å; T380-T404 PolarHBondContact OG1-OG1 2.91Å; T404-T406 HydrophobicContact CG2-CG2 4.17Å; T404-T406 PolarHBondContact O-N 3.15Å; T404-I410 WeakPolarHBondContact O-CA 3.25Å; T404-E411 PolarHBondContact N-O 3.43Å; T404-E411 PolarHBondContact O-N 3.32Å
405	G	94.1	Very high	87.2	Confident	5 Å²	5	49.9 Å²	49.9	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	115.9	169.7	0	0	0	0	0	109.4	A379 P520	A379-G405 PolarHBondContact O-N 2.85Å; G405-P520 WeakPolarHBondContact O-CG 3.29Å
406	T	92.6	Very high	89.1	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.129	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	170.7	178.1	79.2	0	0	0	0	110.6	Y375 T404 Q408 G409 E411	Y375-T406 HydrophobicContact CE1-CG2 4.48Å; T404-T406 HydrophobicContact CG2-CG2 4.17Å; T404-T406 PolarHBondContact O-N 3.15Å; T406-Q408 PolarHBondContact O-N 3.44Å; T406-Q408 PolarHBondContact OG1-N 3.41Å; T406-G409 PolarHBondContact N-O 2.6Å; T406-G409 PolarHBondContact O-N 2.7Å; T406-G409 VanDerWaalsContact O-N 3.14Å; T406-G409 VanDerWaalsContact O-O 3.09Å; T406-E411 WeakPolarHBondContact CB-OE1 3.46Å; T406-E411 HydrophobicContact CG2-CB 4.14Å; T406-E411 HydrophobicContact CG2-CG 4.03Å; T406-E411 VanDerWaalsContact CG2-OE1 3.25Å; T406-E411 WeakPolarHBondContact CG2-OE1 3.47Å; T406-E411 PolarHBondContact OG1-OE1 2.92Å
407	R	88.9	Confident	90.9	Very high	213 Å²	213	45.4 Å²	45.4	80%	0.804	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.9	176.5	-64.8	-175.2	-179.9	-138.8	-0.3	112.8	C517	R407-C517 WeakPolarHBondContact O-CB 2.97Å
408	Q	89.6	Confident	92.1	Very high	181 Å²	181	43.4 Å²	43.4	85%	0.846	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-2.6	178.5	-60.3	-177.8	8.9	0	0	112.5	T406	T406-Q408 PolarHBondContact O-N 3.44Å; T406-Q408 PolarHBondContact OG1-N 3.41Å
409	G	91.2	Very high	92.2	Very high	15 Å²	15	42.5 Å²	42.5	16%	0.155	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-131.6	-179.7	0	0	0	0	0	112.2	T406	T406-G409 PolarHBondContact N-O 2.6Å; T406-G409 PolarHBondContact O-N 2.7Å; T406-G409 VanDerWaalsContact O-N 3.14Å; T406-G409 VanDerWaalsContact O-O 3.09Å
410	I	93.5	Very high	92.3	Very high	58 Å²	58	45.7 Å²	45.7	30%	0.297	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.4	178.7	-56.2	172.2	0	0	0	108.7	R403 T404 K519 F523	R403-I410 HydrophobicContact CB-CG2 3.93Å; R403-I410 HydrophobicContact CG-CG2 4.36Å; T404-I410 WeakPolarHBondContact O-CA 3.25Å; I410-K519 HydrophobicContact CD1-CD 3.98Å; I410-K519 HydrophobicContact CG1-CB 4.3Å; I410-K519 HydrophobicContact CG1-CD 3.92Å; I410-K519 HydrophobicContact CG1-CG 3.95Å; I410-F523 HydrophobicContact CD1-CE2 4.03Å; I410-F523 HydrophobicContact CD1-CZ 4.25Å; I410-F523 HydrophobicContact CG1-CE2 4.12Å; I410-F523 HydrophobicContact CG1-CZ 4.31Å; I410-F523 HydrophobicContact CG2-CZ 4.01Å
411	E	92.8	Very high	92.2	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.262	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141	172.6	-74.3	168.7	-135.2	0	0	109.6	Y375 R403 T404 T406	Y375-E411 VanDerWaalsContact CE1-OE2 3.27Å; Y375-E411 WeakPolarHBondContact CE1-OE2 3.36Å; Y375-E411 PolarHBondContact OH-OE2 3.48Å; Y375-E411 VanDerWaalsContact OH-OE2 3.04Å; R403-E411 CarbonylContact C-O 3.56Å; R403-E411 VanDerWaalsContact CA-O 3.26Å; R403-E411 WeakPolarHBondContact CA-O 3.3Å; T404-E411 PolarHBondContact N-O 3.43Å; T404-E411 PolarHBondContact O-N 3.32Å; T406-E411 WeakPolarHBondContact CB-OE1 3.46Å; T406-E411 HydrophobicContact CG2-CB 4.14Å; T406-E411 HydrophobicContact CG2-CG 4.03Å; T406-E411 VanDerWaalsContact CG2-OE1 3.25Å; T406-E411 WeakPolarHBondContact CG2-OE1 3.47Å; T406-E411 PolarHBondContact OG1-OE1 2.92Å
412	T	91.6	Very high	92.2	Very high	77 Å²	77	55.5 Å²	55.5	47%	0.472	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.1	-175.7	-55.2	0	0	0	0	109.7	T402 R403	T402-T412 VanDerWaalsContact O-CA 3.32Å; T402-T412 WeakPolarHBondContact O-CA 3.46Å; R403-T412 HydrophobicContact CG-CG2 4.03Å
413	H	91.6	Very high	92.1	Very high	19 Å²	19	56.3 Å²	56.3	9%	0.088	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.6	174.2	-68.9	-98.5	0	0	0	109.5	E333 Y375 A401 T402 F415	E333-H413 IonicContact OE1-CE1 2.78Å; E333-H413 PolarHBondContact OE1-CE1 2.8Å; E333-H413 VanDerWaalsContact OE1-CE1 3.26Å; E333-H413 IonicContact OE1-CG 2.8Å; E333-H413 IonicContact OE1-ND1 2.7Å; E333-H413 PolarHBondContact OE1-ND1 3.19Å; Y375-H413 AromaticContact CE2-CD2 3.65Å; Y375-H413 AromaticContact CE2-CE1 3.89Å; Y375-H413 AromaticContact CE2-NE2 3.26Å; Y375-H413 VanDerWaalsContact CE2-NE2 3.26Å; Y375-H413 WeakPolarHBondContact CE2-NE2 3.31Å; Y375-H413 AromaticContact CZ-CD2 3.88Å; Y375-H413 AromaticContact CZ-NE2 3.2Å; Y375-H413 PolarHBondContact OH-CE1 2.91Å; Y375-H413 PolarHBondContact OH-NE2 2.82Å; A401-H413 CarbonylContact C-O 3.53Å; A401-H413 WeakPolarHBondContact CA-O 3.49Å; T402-H413 PolarHBondContact N-O 3.26Å; T402-H413 PolarHBondContact O-N 3.09Å; H413-F415 HydrophobicContact CB-CD2 4.33Å; H413-F415 HydrophobicContact CB-CE1 4.39Å; H413-F415 HydrophobicContact CB-CE2 3.51Å; H413-F415 HydrophobicContact CB-CZ 3.54Å
414	L	91.7	Very high	92	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.1	172.8	-177.2	73.6	0	0	0	108.6	K334 W343 A401	K334-L414 HydrophobicContact CB-CB 3.99Å; K334-L414 HydrophobicContact CB-CD2 4.18Å; K334-L414 HydrophobicContact CB-CG 4.45Å; K334-L414 HydrophobicContact CD-CD2 3.57Å; K334-L414 PolarHBondContact N-O 2.83Å; W343-L414 HydrophobicContact CH2-CD2 3.68Å; W343-L414 HydrophobicContact CH2-CG 3.92Å; W343-L414 HydrophobicContact CZ2-CD2 4.5Å; W343-L414 HydrophobicContact CZ3-CD2 4.33Å; W343-L414 HydrophobicContact CZ3-CG 4.24Å; A401-L414 HydrophobicContact CB-CD1 3.93Å
415	F	93.1	Very high	91.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	179.3	-59.8	-74.2	0	0	0	110.7	L331 A332 E333 V348 I357 S399 F400 T402 H413	L331-F415 HydrophobicContact CB-CB 4.42Å; L331-F415 HydrophobicContact CB-CD1 4.08Å; L331-F415 HydrophobicContact CD1-CB 4.14Å; L331-F415 HydrophobicContact CD1-CD1 4.15Å; L331-F415 HydrophobicContact CD1-CG 4.12Å; A332-F415 CarbonylContact O-C 3.54Å; A332-F415 VanDerWaalsContact O-CA 3.24Å; A332-F415 WeakPolarHBondContact O-CA 3.47Å; E333-F415 HydrophobicContact CB-CD1 4.18Å; E333-F415 HydrophobicContact CB-CE1 4.15Å; E333-F415 HydrophobicContact CG-CD1 4.48Å; E333-F415 HydrophobicContact CG-CE1 4.14Å; V348-F415 HydrophobicContact CG2-CD1 4.35Å; V348-F415 HydrophobicContact CG2-CE1 3.85Å; V348-F415 HydrophobicContact CG2-CZ 4.33Å; I357-F415 HydrophobicContact CD1-CE1 4.31Å; I357-F415 HydrophobicContact CD1-CZ 3.88Å; S399-F415 CarbonylContact C-O 3.59Å; S399-F415 WeakPolarHBondContact CA-O 3.08Å; S399-F415 WeakPolarHBondContact CB-O 3.39Å; F400-F415 HydrophobicContact CD1-CB 4.07Å; F400-F415 HydrophobicContact CD2-CB 4.43Å; F400-F415 HydrophobicContact CD2-CD2 4.11Å; F400-F415 HydrophobicContact CE1-CB 3.63Å; F400-F415 HydrophobicContact CE1-CG 4.42Å; F400-F415 HydrophobicContact CE2-CB 4.01Å; F400-F415 AromaticContact CE2-CD2 3.44Å; F400-F415 HydrophobicContact CE2-CD2 3.44Å; F400-F415 VanDerWaalsContact CE2-CD2 3.44Å; F400-F415 HydrophobicContact CE2-CE2 4.28Å; F400-F415 HydrophobicContact CE2-CG 4.07Å; F400-F415 HydrophobicContact CG-CB 4.47Å; F400-F415 HydrophobicContact CZ-CB 3.61Å; F400-F415 AromaticContact CZ-CD2 3.74Å; F400-F415 HydrophobicContact CZ-CD2 3.74Å; F400-F415 AromaticContact CZ-CG 3.9Å; F400-F415 HydrophobicContact CZ-CG 3.9Å; F400-F415 PolarHBondContact N-O 3.13Å; F400-F415 PolarHBondContact O-N 3.31Å; T402-F415 HydrophobicContact CG2-CE2 4.25Å; H413-F415 HydrophobicContact CB-CD2 4.33Å; H413-F415 HydrophobicContact CB-CE1 4.39Å; H413-F415 HydrophobicContact CB-CE2 3.51Å; H413-F415 HydrophobicContact CB-CZ 3.54Å
416	R	91.9	Very high	91.9	Very high	15 Å²	15	58 Å²	58	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	169.3	-175.1	-169.6	78	-179.4	7.2	109	T254 R255 A332 W343 E418	T254-R416 PolarHBondContact OG1-NH2 2.78Å; R255-R416 PolarHBondContact O-NH2 2.82Å; A332-R416 HydrophobicContact CB-CB 3.83Å; A332-R416 PolarHBondContact N-O 3.08Å; A332-R416 VanDerWaalsContact N-O 3.09Å; A332-R416 PolarHBondContact O-N 3.05Å; W343-R416 HydrophobicContact CD2-CB 4.22Å; W343-R416 HydrophobicContact CE3-CB 3.87Å; W343-R416 HydrophobicContact CH2-CB 3.79Å; W343-R416 HydrophobicContact CZ2-CB 4.13Å; W343-R416 HydrophobicContact CZ3-CB 3.64Å; R416-E418 IonicContact CZ-OE1 3.97Å; R416-E418 IonicContact NE-OE1 2.76Å; R416-E418 IonicContact NH2-OE1 3.16Å; R416-E418 PolarHBondContact NH2-OE1 3.47Å
417	A	92.4	Very high	92	Very high	6 Å²	6	57.9 Å²	57.9	5%	0.05	28%	0.282	C	S	.	.			trans	-97.2	152.4	171.2	0	0	0	0	0	110	L331 L398 D422 L423	L331-A417 HydrophobicContact CD2-CB 4.23Å; L398-A417 WeakPolarHBondContact CB-O 3.24Å; L398-A417 PolarHBondContact O-N 2.8Å; A417-D422 HydrophobicContact CB-CB 4.17Å; A417-L423 HydrophobicContact CB-CB 3.93Å
418	E	90.2	Very high	92.3	Very high	32 Å²	32	56.1 Å²	56.1	15%	0.15	28%	0.275	C	S	.	.	S	Bend	trans	-87.8	-27	-173.8	-58.5	-65	147.4	0	0	112.8	Y252 T254 R255 F292 R416	Y252-E418 HydrophobicContact CE2-CG 3.75Å; Y252-E418 PolarHBondContact OH-OE1 2.7Å; T254-E418 VanDerWaalsContact CA-OE2 3.31Å; T254-E418 WeakPolarHBondContact CA-OE2 3.34Å; T254-E418 WeakPolarHBondContact CB-OE1 3.22Å; T254-E418 PolarHBondContact OG1-OE1 2.98Å; T254-E418 PolarHBondContact OG1-OE2 2.84Å; R255-E418 PolarHBondContact N-OE2 2.91Å; F292-E418 HydrophobicContact CE2-CB 4.33Å; F292-E418 HydrophobicContact CZ-CB 3.79Å; R416-E418 IonicContact CZ-OE1 3.97Å; R416-E418 IonicContact NE-OE1 2.76Å; R416-E418 IonicContact NH2-OE1 3.16Å; R416-E418 PolarHBondContact NH2-OE1 3.47Å
419	T	90.6	Very high	92.6	Very high	32 Å²	32	49 Å²	49	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	-131	157.6	175.1	79.4	0	0	0	0	112.3	F292 R421 D422 L423	F292-T419 HydrophobicContact CE1-CG2 3.85Å; F292-T419 HydrophobicContact CZ-CG2 4.13Å; T419-R421 PolarHBondContact O-N 3.42Å; T419-R421 PolarHBondContact OG1-N 3.27Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.4Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.48Å; T419-D422 PolarHBondContact N-OD2 3.21Å; T419-D422 PolarHBondContact O-N 2.96Å; T419-D422 VanDerWaalsContact O-N 3.09Å; T419-D422 PolarHBondContact OG1-N 2.98Å; T419-D422 VanDerWaalsContact OG1-N 3.13Å; T419-D422 PolarHBondContact OG1-OD2 2.58Å; T419-L423 PolarHBondContact O-N 3.13Å
420	S	90.3	Very high	92.8	Very high	76 Å²	76	48.3 Å²	48.3	53%	0.531	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-29.9	175	177.7	0	0	0	0	111.9	S424	S420-S424 VanDerWaalsContact O-CB 3.31Å; S420-S424 WeakPolarHBondContact O-CB 3.37Å; S420-S424 PolarHBondContact O-N 3.16Å; S420-S424 PolarHBondContact O-OG 3.01Å
421	R	91.4	Very high	92.9	Very high	200 Å²	200	48.2 Å²	48.2	76%	0.755	24%	0.24	S	C	*	.	H	α-helix	trans	-64.7	-46.2	173.4	-177.4	-175.2	-65.5	-95.2	0	110.7	T419 S424 H425	T419-R421 PolarHBondContact O-N 3.42Å; T419-R421 PolarHBondContact OG1-N 3.27Å; R421-S424 PolarHBondContact O-N 3.28Å; R421-H425 VanDerWaalsContact O-CB 3.31Å; R421-H425 WeakPolarHBondContact O-CB 3.41Å; R421-H425 PolarHBondContact O-N 2.92Å
422	D	92.4	Very high	92.9	Very high	16 Å²	16	50.4 Å²	50.4	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-44.3	179.2	-51.7	-45.5	0	0	0	110.8	H296 N300 A417 T419 S424 H425 W426	H296-D422 IonicContact CE1-OD1 3.62Å; H296-D422 IonicContact CE1-OD2 3.28Å; H296-D422 PolarHBondContact CE1-OD2 3.01Å; H296-D422 IonicContact NE2-OD2 4Å; H296-D422 PolarHBondContact NE2-OD2 2.8Å; N300-D422 PolarHBondContact ND2-OD1 3.43Å; A417-D422 HydrophobicContact CB-CB 4.17Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.4Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.48Å; T419-D422 PolarHBondContact N-OD2 3.21Å; T419-D422 PolarHBondContact O-N 2.96Å; T419-D422 VanDerWaalsContact O-N 3.09Å; T419-D422 PolarHBondContact OG1-N 2.98Å; T419-D422 VanDerWaalsContact OG1-N 3.13Å; T419-D422 PolarHBondContact OG1-OD2 2.58Å; D422-S424 VanDerWaalsContact C-N 3.31Å; D422-S424 PolarHBondContact O-N 3.5Å; D422-H425 PolarHBondContact O-N 2.91Å; D422-H425 VanDerWaalsContact O-N 3.13Å; D422-W426 WeakPolarHBondContact O-CB 3.49Å; D422-W426 VanDerWaalsContact O-CD1 3.22Å; D422-W426 PolarHBondContact O-N 2.81Å
423	L	93.1	Very high	93.1	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-54.7	-49.3	174.8	178.6	62.9	0	0	0	111	L398 F400 A417 T419 H425 T427	L398-L423 HydrophobicContact CB-CD2 4.17Å; L398-L423 HydrophobicContact CD2-CD2 4.2Å; F400-L423 HydrophobicContact CB-CD1 3.91Å; F400-L423 HydrophobicContact CD1-CD1 3.67Å; F400-L423 HydrophobicContact CG-CD1 4.23Å; A417-L423 HydrophobicContact CB-CB 3.93Å; T419-L423 PolarHBondContact O-N 3.13Å; L423-H425 VanDerWaalsContact C-N 3.32Å; L423-H425 PolarHBondContact O-N 3.41Å; L423-T427 HydrophobicContact CD1-CG2 4.01Å; L423-T427 WeakPolarHBondContact O-CB 3.47Å; L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.2Å; L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 2.8Å
424	S	92.4	Very high	93.3	Very high	42 Å²	42	46.9 Å²	46.9	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-39.5	178.5	-60.8	0	0	0	0	111.9	S420 R421 D422 T427 R428	S420-S424 VanDerWaalsContact O-CB 3.31Å; S420-S424 WeakPolarHBondContact O-CB 3.37Å; S420-S424 PolarHBondContact O-N 3.16Å; S420-S424 PolarHBondContact O-OG 3.01Å; R421-S424 PolarHBondContact O-N 3.28Å; D422-S424 VanDerWaalsContact C-N 3.31Å; D422-S424 PolarHBondContact O-N 3.5Å; S424-T427 PolarHBondContact O-OG1 3.43Å; S424-R428 WeakPolarHBondContact O-CB 3.41Å; S424-R428 WeakPolarHBondContact O-CD 3.43Å; S424-R428 WeakPolarHBondContact O-CG 3.24Å; S424-R428 PolarHBondContact O-N 3.37Å
425	H	94	Very high	93.4	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.398	23%	0.225	S	C	.	.	H	α-helix	trans	-70.3	-46.5	-179.8	-173.6	-136.9	0	0	0	112	H327 R421 D422 L423 S429	H327-H425 AromaticContact CE1-CE1 3.33Å; H327-H425 PolarHBondContact CE1-CE1 2.97Å; H327-H425 AromaticContact CE1-ND1 3.59Å; H327-H425 AromaticContact ND1-CE1 3.65Å; H327-H425 AromaticContact NE2-CE1 3.62Å; H327-H425 AromaticContact NE2-ND1 3.51Å; R421-H425 VanDerWaalsContact O-CB 3.31Å; R421-H425 WeakPolarHBondContact O-CB 3.41Å; R421-H425 PolarHBondContact O-N 2.92Å; D422-H425 PolarHBondContact O-N 2.91Å; D422-H425 VanDerWaalsContact O-N 3.13Å; L423-H425 VanDerWaalsContact C-N 3.32Å; L423-H425 PolarHBondContact O-N 3.41Å; H425-S429 WeakPolarHBondContact O-CB 3.19Å; H425-S429 PolarHBondContact O-N 3.11Å; H425-S429 PolarHBondContact O-OG 2.72Å
426	W	95.5	Very high	93.5	Very high	10 Å²	10	48.2 Å²	48.2	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-50.4	177.6	-84.4	109.7	0	0	0	112.1	H327 L331 V348 L350 F400 D422 R428 S429 I430	H327-W426 AromaticContact CD2-CE2 3.9Å; H327-W426 AromaticContact CD2-CE3 3.93Å; H327-W426 AromaticContact CD2-CH2 3.61Å; H327-W426 AromaticContact CD2-CZ2 3.71Å; H327-W426 AromaticContact CD2-CZ3 3.74Å; H327-W426 AromaticContact NE2-CE2 3.73Å; H327-W426 AromaticContact NE2-CZ2 3.69Å; L331-W426 HydrophobicContact CD1-CD2 3.83Å; L331-W426 HydrophobicContact CD1-CE3 4.14Å; L331-W426 HydrophobicContact CD1-CG 4.23Å; L331-W426 HydrophobicContact CD1-CH2 4.41Å; L331-W426 HydrophobicContact CD1-CZ2 4.11Å; L331-W426 HydrophobicContact CD1-CZ3 4.41Å; L331-W426 HydrophobicContact CD2-CD2 4.49Å; L331-W426 HydrophobicContact CD2-CG 4.28Å; L331-W426 HydrophobicContact CG-CD2 4.42Å; L331-W426 HydrophobicContact CG-CZ2 4.21Å; V348-W426 HydrophobicContact CB-CH2 3.79Å; V348-W426 HydrophobicContact CB-CZ3 4.08Å; V348-W426 HydrophobicContact CG1-CH2 3.94Å; V348-W426 HydrophobicContact CG1-CZ3 3.72Å; V348-W426 WeakPolarHBondContact O-CH2 3.41Å; L350-W426 HydrophobicContact CD1-CE3 4.07Å; L350-W426 HydrophobicContact CD1-CZ3 3.85Å; L350-W426 HydrophobicContact CG-CZ3 3.92Å; F400-W426 HydrophobicContact CE1-CB 3.87Å; F400-W426 HydrophobicContact CE1-CG 4.34Å; F400-W426 HydrophobicContact CZ-CB 3.99Å; F400-W426 HydrophobicContact CZ-CG 4.41Å; D422-W426 WeakPolarHBondContact O-CB 3.49Å; D422-W426 VanDerWaalsContact O-CD1 3.22Å; D422-W426 PolarHBondContact O-N 2.81Å; W426-R428 PolarHBondContact O-N 3.29Å; W426-S429 PolarHBondContact O-N 3Å; W426-I430 HydrophobicContact CE3-CD1 4.48Å; W426-I430 WeakPolarHBondContact O-CB 3.43Å; W426-I430 VanDerWaalsContact O-CG1 3.25Å; W426-I430 WeakPolarHBondContact O-CG1 3.1Å; W426-I430 PolarHBondContact O-N 3.41Å
427	T	94.8	Very high	93.6	Very high	18 Å²	18	47.5 Å²	47.5	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-44.7	180	51.7	0	0	0	0	111.9	L382 F400 L423 S424 V431	L382-T427 HydrophobicContact CD1-CG2 4.12Å; L382-T427 HydrophobicContact CD2-CG2 3.88Å; F400-T427 HydrophobicContact CB-CG2 3.86Å; F400-T427 HydrophobicContact CD1-CG2 4.4Å; F400-T427 HydrophobicContact CG-CG2 4.05Å; L423-T427 HydrophobicContact CD1-CG2 4.01Å; L423-T427 WeakPolarHBondContact O-CB 3.47Å; L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.2Å; L423-T427 PolarHBondContact O-N 3.17Å; L423-T427 PolarHBondContact O-OG1 2.8Å; S424-T427 PolarHBondContact O-OG1 3.43Å; T427-V431 VanDerWaalsContact O-CG2 3.32Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.48Å; T427-V431 VanDerWaalsContact O-N 3.09Å
428	R	94.6	Very high	93.7	Very high	176 Å²	176	47.2 Å²	47.2	66%	0.664	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-46.1	174.7	-71.9	175.7	-167.9	173.4	3.5	112.4	S424 W426 I430 V431 Q432	S424-R428 WeakPolarHBondContact O-CB 3.41Å; S424-R428 WeakPolarHBondContact O-CD 3.43Å; S424-R428 WeakPolarHBondContact O-CG 3.24Å; S424-R428 PolarHBondContact O-N 3.37Å; W426-R428 PolarHBondContact O-N 3.29Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.32Å; R428-V431 PolarHBondContact O-N 2.88Å; R428-Q432 VanDerWaalsContact O-CB 3.27Å; R428-Q432 WeakPolarHBondContact O-CB 3.22Å; R428-Q432 PolarHBondContact O-N 3.02Å
429	S	95.4	Very high	93.8	Very high	30 Å²	30	50 Å²	50	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-37.6	-179.9	-70.3	0	0	0	0	112.3	H425 W426 G433	H425-S429 WeakPolarHBondContact O-CB 3.19Å; H425-S429 PolarHBondContact O-N 3.11Å; H425-S429 PolarHBondContact O-OG 2.72Å; W426-S429 PolarHBondContact O-N 3Å; S429-G433 WeakPolarHBondContact O-CA 3.31Å; S429-G433 PolarHBondContact O-N 3.49Å
430	I	95.9	Very high	93.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-50.6	175.6	-69.4	166.3	0	0	0	110.5	L350 L355 F400 T402 W426 R428 Q432 G433 C434	L350-I430 HydrophobicContact CD1-CG1 3.87Å; L350-I430 HydrophobicContact CD2-CG1 4Å; L355-I430 HydrophobicContact CD1-CD1 4.39Å; L355-I430 HydrophobicContact CD1-CG1 4.46Å; F400-I430 HydrophobicContact CD2-CD1 4.23Å; F400-I430 HydrophobicContact CE2-CD1 3.41Å; F400-I430 VanDerWaalsContact CE2-CD1 3.41Å; F400-I430 HydrophobicContact CZ-CD1 3.93Å; T402-I430 HydrophobicContact CG2-CD1 4.13Å; W426-I430 HydrophobicContact CE3-CD1 4.48Å; W426-I430 WeakPolarHBondContact O-CB 3.43Å; W426-I430 VanDerWaalsContact O-CG1 3.25Å; W426-I430 WeakPolarHBondContact O-CG1 3.1Å; W426-I430 PolarHBondContact O-N 3.41Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.32Å; I430-Q432 PolarHBondContact O-N 3.31Å; I430-G433 WeakPolarHBondContact O-CA 3.31Å; I430-G433 PolarHBondContact O-N 3.27Å; I430-G433 VanDerWaalsContact O-N 3.14Å; I430-C434 PolarHBondContact O-N 3.37Å; I430-C434 PolarHBondContact O-SG 2.82Å
431	V	94.5	Very high	94.1	Very high	57 Å²	57	51.8 Å²	51.8	35%	0.345	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-48.1	-179.4	171.5	0	0	0	0	111	L382 T427 R428 G433 C434 H435	L382-V431 HydrophobicContact CB-CG2 4.11Å; L382-V431 HydrophobicContact CD2-CG2 3.87Å; T427-V431 VanDerWaalsContact O-CG2 3.32Å; T427-V431 WeakPolarHBondContact O-CG2 3.42Å; T427-V431 PolarHBondContact O-N 3.48Å; T427-V431 VanDerWaalsContact O-N 3.09Å; R428-V431 PolarHBondContact O-N 2.88Å; V431-G433 VanDerWaalsContact C-N 3.28Å; V431-G433 PolarHBondContact O-N 3.12Å; V431-C434 WeakPolarHBondContact O-CB 3.31Å; V431-C434 PolarHBondContact O-N 3Å; V431-H435 PolarHBondContact O-N 2.86Å; V431-H435 VanDerWaalsContact O-N 3.08Å
432	Q	94.6	Very high	94.3	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-38	175.9	-170.3	64.2	48.4	0	0	111.4	R428 I430 H435 N436	R428-Q432 VanDerWaalsContact O-CB 3.27Å; R428-Q432 WeakPolarHBondContact O-CB 3.22Å; R428-Q432 PolarHBondContact O-N 3.02Å; I430-Q432 PolarHBondContact O-N 3.31Å; Q432-H435 PolarHBondContact O-N 3.25Å; Q432-N436 PolarHBondContact NE2-OD1 3.27Å; Q432-N436 WeakPolarHBondContact O-CB 3.13Å; Q432-N436 PolarHBondContact O-N 3Å; Q432-N436 PolarHBondContact O-OD1 2.85Å
433	G	94.7	Very high	94.4	Very high	12 Å²	12	47.5 Å²	47.5	12%	0.124	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-44.8	174.2	0	0	0	0	0	112.5	S429 I430 V431 H435 N436 S437	S429-G433 WeakPolarHBondContact O-CA 3.31Å; S429-G433 PolarHBondContact O-N 3.49Å; I430-G433 WeakPolarHBondContact O-CA 3.31Å; I430-G433 PolarHBondContact O-N 3.27Å; I430-G433 VanDerWaalsContact O-N 3.14Å; V431-G433 VanDerWaalsContact C-N 3.28Å; V431-G433 PolarHBondContact O-N 3.12Å; G433-H435 VanDerWaalsContact C-N 3.35Å; G433-H435 PolarHBondContact O-N 2.88Å; G433-N436 PolarHBondContact O-N 2.84Å; G433-S437 WeakPolarHBondContact O-CB 3.32Å; G433-S437 PolarHBondContact O-N 3.29Å
434	C	95.2	Very high	94.5	Very high	9 Å²	9	48 Å²	48	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-42.7	174.4	-65.3	0	0	0	0	111.9	L377 T380 I430 V431 S437 A438	L377-C434 PolarHBondContact O-SG 2.82Å; T380-C434 PolarHBondContact O-SG 3.4Å; I430-C434 PolarHBondContact O-N 3.37Å; I430-C434 PolarHBondContact O-SG 2.82Å; V431-C434 WeakPolarHBondContact O-CB 3.31Å; V431-C434 PolarHBondContact O-N 3Å; C434-S437 PolarHBondContact O-N 3.34Å; C434-A438 WeakPolarHBondContact O-CB 3.47Å; C434-A438 PolarHBondContact O-N 3.04Å
435	H	94.9	Very high	94.6	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-46.7	178.3	-64.3	171.8	0	0	0	112.4	V431 Q432 G433 S437 A438 E439 S530 A531 T534	V431-H435 PolarHBondContact O-N 2.86Å; V431-H435 VanDerWaalsContact O-N 3.08Å; Q432-H435 PolarHBondContact O-N 3.25Å; G433-H435 VanDerWaalsContact C-N 3.35Å; G433-H435 PolarHBondContact O-N 2.88Å; H435-S437 VanDerWaalsContact C-N 3.28Å; H435-S437 PolarHBondContact O-N 3.44Å; H435-A438 WeakPolarHBondContact O-CB 3.47Å; H435-A438 PolarHBondContact O-N 2.85Å; H435-E439 PolarHBondContact O-N 2.91Å; H435-E439 VanDerWaalsContact O-N 3.08Å; H435-S530 PolarHBondContact NE2-OG 3.34Å; H435-S530 VanDerWaalsContact NE2-OG 3.07Å; H435-A531 HydrophobicContact CB-CB 3.96Å; H435-T534 PolarHBondContact CE1-OG1 2.97Å
436	N	94.1	Very high	94.7	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-38.5	176.2	-67.6	-5	0	0	0	111.4	Q432 G433 A438 E439 L440	Q432-N436 PolarHBondContact NE2-OD1 3.27Å; Q432-N436 WeakPolarHBondContact O-CB 3.13Å; Q432-N436 PolarHBondContact O-N 3Å; Q432-N436 PolarHBondContact O-OD1 2.85Å; G433-N436 PolarHBondContact O-N 2.84Å; N436-A438 VanDerWaalsContact C-N 3.34Å; N436-E439 PolarHBondContact O-N 3.15Å; N436-L440 VanDerWaalsContact O-CB 3.25Å; N436-L440 WeakPolarHBondContact O-CB 3.38Å; N436-L440 PolarHBondContact O-N 3.13Å
437	S	94.6	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-39.6	176.2	-174.7	0	0	0	0	111.6	E352 G433 C434 H435 L440 I441	E352-S437 WeakPolarHBondContact O-CB 3.18Å; G433-S437 WeakPolarHBondContact O-CB 3.32Å; G433-S437 PolarHBondContact O-N 3.29Å; C434-S437 PolarHBondContact O-N 3.34Å; H435-S437 VanDerWaalsContact C-N 3.28Å; H435-S437 PolarHBondContact O-N 3.44Å; S437-L440 PolarHBondContact O-N 3.35Å; S437-I441 WeakPolarHBondContact O-CB 3.34Å; S437-I441 VanDerWaalsContact O-CG1 3.32Å; S437-I441 WeakPolarHBondContact O-CG1 3.38Å; S437-I441 PolarHBondContact O-N 2.9Å; S437-I441 WeakPolarHBondContact OG-CD1 3.33Å
438	A	94.8	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-47.5	172.6	0	0	0	0	0	112.6	L378 C434 H435 N436 A442 Y461 F528 A531	L378-A438 VanDerWaalsContact CD1-CA 3.44Å; L378-A438 HydrophobicContact CD1-CB 3.73Å; C434-A438 WeakPolarHBondContact O-CB 3.47Å; C434-A438 PolarHBondContact O-N 3.04Å; H435-A438 WeakPolarHBondContact O-CB 3.47Å; H435-A438 PolarHBondContact O-N 2.85Å; N436-A438 VanDerWaalsContact C-N 3.34Å; A438-A442 PolarHBondContact O-N 3.35Å; A438-Y461 HydrophobicContact CB-CD2 4.49Å; A438-Y461 HydrophobicContact CB-CE2 4.5Å; A438-F528 HydrophobicContact CB-CD1 3.61Å; A438-F528 HydrophobicContact CB-CE1 3.98Å; A438-F528 WeakPolarHBondContact O-CE1 3.33Å; A438-A531 HydrophobicContact CB-CB 3.93Å
439	E	92.8	Very high	94.7	Very high	90 Å²	90	39.3 Å²	39.3	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-39	177.9	-65.5	-172	163.9	0	0	112.4	H435 N436 Y461	H435-E439 PolarHBondContact O-N 2.91Å; H435-E439 VanDerWaalsContact O-N 3.08Å; N436-E439 PolarHBondContact O-N 3.15Å; E439-Y461 HydrophobicContact CB-CE1 4.48Å; E439-Y461 HydrophobicContact CG-CD1 4.49Å; E439-Y461 HydrophobicContact CG-CE1 3.67Å; E439-Y461 PolarHBondContact OE1-OH 2.88Å
440	L	93.1	Very high	94.6	Very high	89 Å²	89	39 Å²	39	47%	0.466	22%	0.218	S	C	.	.	H	α-helix	trans	-70.5	-42.3	-179.1	-179.7	65.2	0	0	0	112.7	E352 K353 N436 S437	E352-L440 HydrophobicContact CB-CD2 3.86Å; K353-L440 HydrophobicContact CG-CD2 4.13Å; N436-L440 VanDerWaalsContact O-CB 3.25Å; N436-L440 WeakPolarHBondContact O-CB 3.38Å; N436-L440 PolarHBondContact O-N 3.13Å; S437-L440 PolarHBondContact O-N 3.35Å
441	I	93.7	Very high	94.4	Very high	56 Å²	56	46.6 Å²	46.6	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-74.7	-38.2	-179.1	-68.8	168.8	0	0	0	110	L378 S437 E443 I444	L378-I441 HydrophobicContact CB-CD1 4.01Å; L378-I441 HydrophobicContact CD2-CB 4.32Å; L378-I441 HydrophobicContact CD2-CD1 3.81Å; L378-I441 HydrophobicContact CD2-CG2 3.99Å; L378-I441 HydrophobicContact CG-CD1 4.37Å; S437-I441 WeakPolarHBondContact O-CB 3.34Å; S437-I441 VanDerWaalsContact O-CG1 3.32Å; S437-I441 WeakPolarHBondContact O-CG1 3.38Å; S437-I441 PolarHBondContact O-N 2.9Å; S437-I441 WeakPolarHBondContact OG-CD1 3.33Å; I441-E443 WeakPolarHBondContact CG2-O 3.39Å; I441-E443 PolarHBondContact O-N 2.8Å; I441-I444 HydrophobicContact CG2-CG2 3.89Å
442	A	94.4	Very high	94.2	Very high	33 Å²	33	51.5 Å²	51.5	27%	0.273	28%	0.275	S	S	.	.			trans	59.6	-31.9	176.8	0	0	0	0	0	116.5	A438 H460 Y461	A438-A442 PolarHBondContact O-N 3.35Å; A442-H460 CarbonylContact O-C 3.54Å; A442-H460 WeakPolarHBondContact O-CA 3.47Å; A442-Y461 WeakPolarHBondContact O-CB 3.49Å; A442-Y461 PolarHBondContact O-N 3.21Å
443	E	95.3	Very high	94	Very high	93 Å²	93	52 Å²	52	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.2	-178.7	-171.3	-174.8	109.4	0	0	110.8	I441 T458 I459 H460	I441-E443 WeakPolarHBondContact CG2-O 3.39Å; I441-E443 PolarHBondContact O-N 2.8Å; E443-T458 HydrophobicContact CG-CG2 3.43Å; E443-T458 VanDerWaalsContact CG-CG2 3.43Å; E443-T458 WeakPolarHBondContact OE1-CG2 3.43Å; E443-I459 WeakPolarHBondContact CA-O 3.01Å; E443-H460 HydrophobicContact CG-CB 4.25Å; E443-H460 IonicContact OE2-CD2 3.68Å; E443-H460 PolarHBondContact OE2-CD2 2.96Å
444	I	95.8	Very high	93.9	Very high	28 Å²	28	56.1 Å²	56.1	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.3	164.5	58.9	140.1	0	0	0	110.1	L378 I441 T458 I459 I521 I524 F528	L378-I444 HydrophobicContact CD2-CG2 3.73Å; I441-I444 HydrophobicContact CG2-CG2 3.89Å; I444-T458 CarbonylContact O-C 3.42Å; I444-T458 WeakPolarHBondContact O-CA 3.22Å; I444-I459 HydrophobicContact CD1-CB 4.33Å; I444-I459 HydrophobicContact CD1-CD1 3.93Å; I444-I459 HydrophobicContact CG1-CB 3.95Å; I444-I459 HydrophobicContact CG1-CD1 4.48Å; I444-I459 PolarHBondContact N-O 2.8Å; I444-I459 PolarHBondContact O-N 3.13Å; I444-I521 HydrophobicContact CD1-CD1 3.62Å; I444-I524 HydrophobicContact CD1-CB 4.14Å; I444-I524 HydrophobicContact CD1-CD1 3.75Å; I444-I524 HydrophobicContact CD1-CG2 3.57Å; I444-I524 HydrophobicContact CG1-CG2 3.8Å; I444-I524 HydrophobicContact CG2-CG2 4.44Å; I444-F528 HydrophobicContact CG1-CE2 4.17Å
445	S	95	Very high	93.9	Very high	50 Å²	50	55.7 Å²	55.7	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.4	175.9	-72.8	0	0	0	0	110.4	L457 T458	S445-L457 CarbonylContact C-O 3.52Å; S445-L457 VanDerWaalsContact CA-O 3.29Å; S445-L457 WeakPolarHBondContact CA-O 3.37Å; S445-T458 WeakPolarHBondContact OG-CG2 3.42Å; S445-T458 PolarHBondContact OG-OG1 3.37Å
446	T	94.6	Very high	93.9	Very high	30 Å²	30	59.4 Å²	59.4	18%	0.184	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.5	174.6	-170.3	0	0	0	0	110.5	R456 L457 L514 I521	T446-R456 WeakPolarHBondContact O-CA 3.39Å; T446-L457 HydrophobicContact CG2-CB 4Å; T446-L457 HydrophobicContact CG2-CD2 4.16Å; T446-L457 HydrophobicContact CG2-CG 4.43Å; T446-L457 PolarHBondContact N-O 2.89Å; T446-L457 PolarHBondContact O-N 3.47Å; T446-L514 HydrophobicContact CG2-CD2 4.02Å; T446-I521 HydrophobicContact CG2-CD1 4.1Å; T446-I521 HydrophobicContact CG2-CG1 4.43Å
447	A	94.6	Very high	94	Very high	42 Å²	42	56.7 Å²	56.7	35%	0.347	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.4	168.2	0	0	0	0	0	109.6
448	C	95.1	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	155.5	176	63.5	0	0	0	0	111.6	C455 L512 D513 L514	C448-C455 PolarHBondContact N-O 2.89Å; C448-C455 CarbonylContact O-C 3.43Å; C448-C455 WeakPolarHBondContact O-CA 3.45Å; C448-C455 WeakPolarHBondContact O-CB 3.26Å; C448-C455 PolarHBondContact O-N 3.4Å; C448-L512 HydrophobicContact CB-CB 4.47Å; C448-D513 CarbonylContact C-O 3.2Å; C448-D513 WeakPolarHBondContact CA-O 3.37Å; C448-D513 WeakPolarHBondContact CB-O 3.14Å; C448-L514 HydrophobicContact CB-CD2 3.62Å
449	T	95.9	Very high	94.1	Very high	27 Å²	27	57.2 Å²	57.2	17%	0.166	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	167.9	-48.2	0	0	0	0	110	Q453 E454 D513 H515	T449-Q453 WeakPolarHBondContact CA-O 3.29Å; T449-E454 PolarHBondContact OG1-OE1 2.84Å; T449-D513 PolarHBondContact N-O 2.76Å; T449-D513 PolarHBondContact O-N 2.98Å; T449-D513 VanDerWaalsContact O-N 3.08Å; T449-H515 PolarHBondContact OG1-CE1 2.79Å; T449-H515 PolarHBondContact OG1-NE2 3.01Å
450	Y	93.8	Very high	94.3	Very high	25 Å²	25	54.8 Å²	54.8	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.8	171.7	177.2	-115.8	0	0	0	109.5	N452 Q453 I480 I481 I510 L512	Y450-N452 VanDerWaalsContact C-N 3.26Å; Y450-N452 PolarHBondContact O-N 2.82Å; Y450-Q453 PolarHBondContact N-O 3.33Å; Y450-Q453 PolarHBondContact O-N 2.82Å; Y450-I480 HydrophobicContact CD1-CG2 4.23Å; Y450-I480 HydrophobicContact CE1-CG2 4Å; Y450-I481 HydrophobicContact CD1-CD1 4.35Å; Y450-I481 HydrophobicContact CE1-CD1 3.58Å; Y450-I481 HydrophobicContact CE2-CD1 4.27Å; Y450-I481 WeakPolarHBondContact OH-CD1 3.32Å; Y450-I510 HydrophobicContact CD2-CG2 4.04Å; Y450-I510 HydrophobicContact CE2-CG2 3.73Å; Y450-L512 HydrophobicContact CD2-CD2 3.65Å; Y450-L512 HydrophobicContact CG-CD2 3.98Å
451	K	90.8	Very high	94.4	Very high	160 Å²	160	50.9 Å²	50.9	70%	0.696	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	45.4	-178.5	-66.4	178.1	171.5	162.9	0	113.4	Q453	K451-Q453 PolarHBondContact O-N 2.75Å
452	N	89.9	Confident	94.3	Very high	159 Å²	159	51.7 Å²	51.7	85%	0.85	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	22.5	-177.1	-58.1	-14.2	0	0	0	115	Y450	Y450-N452 VanDerWaalsContact C-N 3.26Å; Y450-N452 PolarHBondContact O-N 2.82Å
453	Q	90.9	Very high	94.1	Very high	113 Å²	113	54.8 Å²	54.8	53%	0.528	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.5	172.2	-63.6	-172.3	-14.9	0	0	110.2	T449 Y450 K451 C455	T449-Q453 WeakPolarHBondContact CA-O 3.29Å; Y450-Q453 PolarHBondContact N-O 3.33Å; Y450-Q453 PolarHBondContact O-N 2.82Å; K451-Q453 PolarHBondContact O-N 2.75Å; Q453-C455 PolarHBondContact O-N 2.97Å; Q453-C455 PolarHBondContact O-SG 3.28Å
454	E	93.6	Very high	94.1	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.5	172.4	-69.6	-57.4	122.7	0	0	110.2	T449 E470 H515	T449-E454 PolarHBondContact OG1-OE1 2.84Å; E454-E470 PolarHBondContact O-N 3.42Å; E454-H515 IonicContact OE1-CE1 3.87Å; E454-H515 IonicContact OE2-CE1 2.66Å; E454-H515 PolarHBondContact OE2-CE1 3.24Å
455	C	94.5	Very high	94.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	169.1	-172.5	-58.2	0	0	0	0	110.1	C448 Q453 I467 T468 I480	C448-C455 PolarHBondContact N-O 2.89Å; C448-C455 CarbonylContact O-C 3.43Å; C448-C455 WeakPolarHBondContact O-CA 3.45Å; C448-C455 WeakPolarHBondContact O-CB 3.26Å; C448-C455 PolarHBondContact O-N 3.4Å; Q453-C455 PolarHBondContact O-N 2.97Å; Q453-C455 PolarHBondContact O-SG 3.28Å; C455-I467 HydrophobicContact CB-CG2 3.71Å; C455-T468 CarbonylContact C-O 3.49Å; C455-T468 WeakPolarHBondContact CA-O 3.23Å; C455-T468 WeakPolarHBondContact CB-O 3.25Å; C455-I480 WeakPolarHBondContact SG-CD1 3.08Å
456	R	95	Very high	94.1	Very high	95 Å²	95	48.1 Å²	48.1	36%	0.358	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118	170.1	-176.7	173	-64.5	-103.1	-6.8	109	T446 I467 T468 E470	T446-R456 WeakPolarHBondContact O-CA 3.39Å; R456-I467 WeakPolarHBondContact O-CA 3.41Å; R456-T468 PolarHBondContact N-O 3.17Å; R456-T468 PolarHBondContact O-N 3Å; R456-T468 PolarHBondContact O-OG1 3.21Å; R456-E470 IonicContact CZ-OE1 2.83Å; R456-E470 IonicContact NE-OE1 2.8Å; R456-E470 IonicContact NH2-OE1 2.56Å; R456-E470 PolarHBondContact NH2-OE1 3.46Å
457	L	95.4	Very high	94.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.3	168	172.2	66.7	0	0	0	108.1	S445 T446 I459 I467 L499 L512 L514 I521	S445-L457 CarbonylContact C-O 3.52Å; S445-L457 VanDerWaalsContact CA-O 3.29Å; S445-L457 WeakPolarHBondContact CA-O 3.37Å; T446-L457 HydrophobicContact CG2-CB 4Å; T446-L457 HydrophobicContact CG2-CD2 4.16Å; T446-L457 HydrophobicContact CG2-CG 4.43Å; T446-L457 PolarHBondContact N-O 2.89Å; T446-L457 PolarHBondContact O-N 3.47Å; L457-I459 HydrophobicContact CD1-CG1 4.29Å; L457-I459 HydrophobicContact CD2-CD1 4.11Å; L457-I459 HydrophobicContact CD2-CG1 4.36Å; L457-I459 HydrophobicContact CG-CD1 4.41Å; L457-I459 HydrophobicContact CG-CG1 4.13Å; L457-I467 HydrophobicContact CD1-CG1 4.02Å; L457-L499 HydrophobicContact CD2-CD2 3.78Å; L457-L512 HydrophobicContact CB-CD1 4.49Å; L457-L512 HydrophobicContact CD1-CD1 4.05Å; L457-L512 HydrophobicContact CD2-CD1 3.85Å; L457-L512 HydrophobicContact CG-CD1 4.34Å; L457-L514 HydrophobicContact CD2-CD2 4.34Å; L457-I521 HydrophobicContact CD2-CG2 4.39Å
458	T	96.3	Very high	94.1	Very high	11 Å²	11	46 Å²	46	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.3	173.9	-61.7	0	0	0	0	108.8	E443 I444 S445 F465 S466	E443-T458 HydrophobicContact CG-CG2 3.43Å; E443-T458 VanDerWaalsContact CG-CG2 3.43Å; E443-T458 WeakPolarHBondContact OE1-CG2 3.43Å; I444-T458 CarbonylContact O-C 3.42Å; I444-T458 WeakPolarHBondContact O-CA 3.22Å; S445-T458 WeakPolarHBondContact OG-CG2 3.42Å; S445-T458 PolarHBondContact OG-OG1 3.37Å; T458-F465 WeakPolarHBondContact O-CA 3.39Å; T458-S466 WeakPolarHBondContact CB-OG 3.13Å; T458-S466 PolarHBondContact N-O 2.87Å; T458-S466 PolarHBondContact O-N 3.43Å
459	I	96.4	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110.8	177.1	-53.2	164.3	0	0	0	106.5	E443 I444 L457 F465 Y485 I521 I525 F528	E443-I459 WeakPolarHBondContact CA-O 3.01Å; I444-I459 HydrophobicContact CD1-CB 4.33Å; I444-I459 HydrophobicContact CD1-CD1 3.93Å; I444-I459 HydrophobicContact CG1-CB 3.95Å; I444-I459 HydrophobicContact CG1-CD1 4.48Å; I444-I459 PolarHBondContact N-O 2.8Å; I444-I459 PolarHBondContact O-N 3.13Å; L457-I459 HydrophobicContact CD1-CG1 4.29Å; L457-I459 HydrophobicContact CD2-CD1 4.11Å; L457-I459 HydrophobicContact CD2-CG1 4.36Å; L457-I459 HydrophobicContact CG-CD1 4.41Å; L457-I459 HydrophobicContact CG-CG1 4.13Å; I459-F465 HydrophobicContact CD1-CE1 4.35Å; I459-F465 HydrophobicContact CG1-CD1 3.91Å; I459-F465 HydrophobicContact CG1-CE1 4.09Å; I459-F465 HydrophobicContact CG2-CD1 4.28Å; I459-F465 HydrophobicContact CG2-CE1 4.01Å; I459-Y485 WeakPolarHBondContact CG2-OH 3.32Å; I459-I521 HydrophobicContact CD1-CG2 3.54Å; I459-I525 HydrophobicContact CD1-CD1 4.03Å; I459-I525 HydrophobicContact CD1-CG1 3.72Å; I459-I525 HydrophobicContact CG2-CG1 4.38Å; I459-F528 HydrophobicContact CB-CE2 4.35Å; I459-F528 HydrophobicContact CG2-CD2 3.7Å; I459-F528 HydrophobicContact CG2-CE2 3.87Å; I459-F528 WeakPolarHBondContact O-CE2 3.38Å
460	H	96	Very high	93.2	Very high	38 Å²	38	50 Å²	50	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.3	-178.8	-172.6	-65.7	0	0	0	109.6	A442 E443 E462 N463 G464 Y485	A442-H460 CarbonylContact O-C 3.54Å; A442-H460 WeakPolarHBondContact O-CA 3.47Å; E443-H460 HydrophobicContact CG-CB 4.25Å; E443-H460 IonicContact OE2-CD2 3.68Å; E443-H460 PolarHBondContact OE2-CD2 2.96Å; H460-E462 PolarHBondContact ND1-N 2.79Å; H460-E462 PolarHBondContact O-N 3.48Å; H460-N463 HydrophobicContact CB-CB 4Å; H460-N463 PolarHBondContact ND1-N 3.37Å; H460-N463 VanDerWaalsContact ND1-N 3.2Å; H460-N463 PolarHBondContact NE2-ND2 2.99Å; H460-G464 PolarHBondContact N-O 3.06Å; H460-G464 PolarHBondContact O-N 3.02Å; H460-G464 VanDerWaalsContact O-N 3.16Å; H460-Y485 WeakPolarHBondContact O-CE2 3.29Å; H460-Y485 PolarHBondContact O-OH 3.33Å
461	Y	94.5	Very high	92.1	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-44.6	-177.2	177.1	-123	0	0	0	112.8	A438 E439 A442 Y485 F528 A531 K532	A438-Y461 HydrophobicContact CB-CD2 4.49Å; A438-Y461 HydrophobicContact CB-CE2 4.5Å; E439-Y461 HydrophobicContact CB-CE1 4.48Å; E439-Y461 HydrophobicContact CG-CD1 4.49Å; E439-Y461 HydrophobicContact CG-CE1 3.67Å; E439-Y461 PolarHBondContact OE1-OH 2.88Å; A442-Y461 WeakPolarHBondContact O-CB 3.49Å; A442-Y461 PolarHBondContact O-N 3.21Å; Y461-Y485 WeakPolarHBondContact O-CE2 3.42Å; Y461-F528 HydrophobicContact CD2-CB 4.09Å; Y461-F528 AromaticContact CD2-CD1 3.66Å; Y461-F528 HydrophobicContact CD2-CD1 3.66Å; Y461-F528 HydrophobicContact CD2-CE1 4.42Å; Y461-F528 HydrophobicContact CD2-CG 4.14Å; Y461-F528 HydrophobicContact CG-CD1 4.25Å; Y461-A531 HydrophobicContact CE2-CB 3.79Å; Y461-K532 HydrophobicContact CE2-CB 4.08Å
462	E	91.9	Very high	91	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-53.7	174.2	-59.2	-65.2	176.8	0	0	114.1	H460 G464 R535	H460-E462 PolarHBondContact ND1-N 2.79Å; H460-E462 PolarHBondContact O-N 3.48Å; E462-G464 VanDerWaalsContact C-N 3.28Å; E462-G464 PolarHBondContact O-N 3.27Å; E462-R535 IonicContact OE1-CZ 2.89Å; E462-R535 IonicContact OE1-NH1 3.53Å; E462-R535 PolarHBondContact OE1-NH1 3.31Å; E462-R535 IonicContact OE1-NH2 3.59Å; E462-R535 PolarHBondContact OE1-NH2 3.01Å; E462-R535 IonicContact OE2-CZ 2.75Å; E462-R535 IonicContact OE2-NH2 3.67Å; E462-R535 PolarHBondContact OE2-NH2 3.42Å
463	N	91.8	Very high	89.6	Confident	98 Å²	98	54.9 Å²	54.9	52%	0.524	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.3	-165.5	-58.5	-36.9	0	0	0	114.4	H460	H460-N463 HydrophobicContact CB-CB 4Å; H460-N463 PolarHBondContact ND1-N 3.37Å; H460-N463 VanDerWaalsContact ND1-N 3.2Å; H460-N463 PolarHBondContact NE2-ND2 2.99Å
464	G	93.7	Very high	88.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.1	-133.8	-179.4	0	0	0	0	0	112.6	H460 E462	H460-G464 PolarHBondContact N-O 3.06Å; H460-G464 PolarHBondContact O-N 3.02Å; H460-G464 VanDerWaalsContact O-N 3.16Å; E462-G464 VanDerWaalsContact C-N 3.28Å; E462-G464 PolarHBondContact O-N 3.27Å
465	F	95.6	Very high	87.3	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.6	-169.3	-56.6	-96.1	0	0	0	110	T458 I459 Q482 S483 Y485 L488 L501 F503 I525	T458-F465 WeakPolarHBondContact O-CA 3.39Å; I459-F465 HydrophobicContact CD1-CE1 4.35Å; I459-F465 HydrophobicContact CG1-CD1 3.91Å; I459-F465 HydrophobicContact CG1-CE1 4.09Å; I459-F465 HydrophobicContact CG2-CD1 4.28Å; I459-F465 HydrophobicContact CG2-CE1 4.01Å; F465-Q482 CarbonylContact O-C 3.46Å; F465-Q482 VanDerWaalsContact O-CA 3.31Å; F465-Q482 WeakPolarHBondContact O-CA 3.02Å; F465-S483 PolarHBondContact N-O 3.4Å; F465-S483 PolarHBondContact O-N 3.25Å; F465-Y485 AromaticContact CE2-CD1 3.59Å; F465-Y485 HydrophobicContact CE2-CD1 3.59Å; F465-Y485 AromaticContact CE2-CE1 3.7Å; F465-Y485 HydrophobicContact CE2-CE1 3.7Å; F465-Y485 HydrophobicContact CE2-CG 4.3Å; F465-Y485 AromaticContact CZ-CD1 3.99Å; F465-Y485 HydrophobicContact CZ-CD1 3.99Å; F465-Y485 AromaticContact CZ-CE1 3.73Å; F465-Y485 HydrophobicContact CZ-CE1 3.73Å; F465-L488 HydrophobicContact CE2-CB 4.34Å; F465-L488 HydrophobicContact CE2-CD2 3.99Å; F465-L488 HydrophobicContact CZ-CD2 3.73Å; F465-L501 HydrophobicContact CD1-CD1 4.01Å; F465-L501 HydrophobicContact CE1-CD1 4.28Å; F465-F503 HydrophobicContact CB-CE1 4.44Å; F465-F503 HydrophobicContact CB-CZ 3.94Å; F465-F503 HydrophobicContact CD1-CZ 4.27Å; F465-F503 AromaticContact CD2-CE1 3.58Å; F465-F503 HydrophobicContact CD2-CE1 3.58Å; F465-F503 AromaticContact CD2-CZ 3.71Å; F465-F503 HydrophobicContact CD2-CZ 3.71Å; F465-F503 HydrophobicContact CE2-CE1 4.07Å; F465-F503 HydrophobicContact CE2-CZ 4.31Å; F465-F503 HydrophobicContact CG-CE1 4.08Å; F465-F503 AromaticContact CG-CZ 3.7Å; F465-F503 HydrophobicContact CG-CZ 3.7Å; F465-I525 HydrophobicContact CE1-CD1 3.8Å; F465-I525 HydrophobicContact CE1-CG1 3.84Å; F465-I525 HydrophobicContact CE1-CG2 4.4Å; F465-I525 HydrophobicContact CZ-CD1 4.39Å; F465-I525 HydrophobicContact CZ-CG1 4.21Å; F465-I525 HydrophobicContact CZ-CG2 3.94Å
466	S	95.1	Very high	86.4	Confident	26 Å²	26	61.1 Å²	61.1	18%	0.182	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.9	166.6	56.1	0	0	0	0	111	T458 I481	T458-S466 WeakPolarHBondContact CB-OG 3.13Å; T458-S466 PolarHBondContact N-O 2.87Å; T458-S466 PolarHBondContact O-N 3.43Å; S466-I481 CarbonylContact C-O 3.57Å; S466-I481 VanDerWaalsContact CA-O 3.26Å; S466-I481 WeakPolarHBondContact CA-O 3.48Å
467	I	94.6	Very high	85.7	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.3	172.1	-57.3	176.2	0	0	0	106.2	C455 R456 L457 I480 I481 I510 L512	C455-I467 HydrophobicContact CB-CG2 3.71Å; R456-I467 WeakPolarHBondContact O-CA 3.41Å; L457-I467 HydrophobicContact CD1-CG1 4.02Å; I467-I480 HydrophobicContact CG2-CD1 4.24Å; I467-I480 PolarHBondContact O-N 3.48Å; I467-I481 HydrophobicContact CB-CB 4.22Å; I467-I481 HydrophobicContact CD1-CB 4.25Å; I467-I481 HydrophobicContact CD1-CD1 3.84Å; I467-I481 HydrophobicContact CG1-CB 4.35Å; I467-I481 PolarHBondContact N-O 3.31Å; I467-I481 PolarHBondContact O-N 2.97Å; I467-I510 HydrophobicContact CD1-CG2 4.12Å; I467-L512 HydrophobicContact CD1-CD1 4.08Å; I467-L512 HydrophobicContact CD1-CD2 3.72Å; I467-L512 HydrophobicContact CD1-CG 4.5Å
468	T	94.6	Very high	85.3	Confident	23 Å²	23	67 Å²	67	14%	0.141	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.7	-179.6	54	0	0	0	0	109.9	C455 R456 K478	C455-T468 CarbonylContact C-O 3.49Å; C455-T468 WeakPolarHBondContact CA-O 3.23Å; C455-T468 WeakPolarHBondContact CB-O 3.25Å; R456-T468 PolarHBondContact N-O 3.17Å; R456-T468 PolarHBondContact O-N 3Å; R456-T468 PolarHBondContact O-OG1 3.21Å; T468-K478 WeakPolarHBondContact CA-O 3.33Å
469	T	91.1	Very high	85.1	Confident	35 Å²	35	69.8 Å²	69.8	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.6	169.8	43.4	0	0	0	0	110.1	P477 K478 I480	T469-P477 WeakPolarHBondContact O-CB 3.25Å; T469-K478 PolarHBondContact N-O 2.76Å; T469-K478 WeakPolarHBondContact OG1-CB 3.48Å; T469-K478 PolarHBondContact OG1-N 3.23Å; T469-K478 PolarHBondContact OG1-O 3.05Å; T469-K478 VanDerWaalsContact OG1-O 3.13Å; T469-I480 HydrophobicContact CG2-CD1 3.72Å; T469-I480 HydrophobicContact CG2-CG1 3.93Å
470	E	81.3	Confident	84.8	Confident	78 Å²	78	72.8 Å²	72.8	36%	0.364	40%	0.397	S	S	.	.			trans	-61.2	131	168.8	-93.8	-89.5	138.2	0	0	109.5	E454 R456 Q472	E454-E470 PolarHBondContact O-N 3.42Å; R456-E470 IonicContact CZ-OE1 2.83Å; R456-E470 IonicContact NE-OE1 2.8Å; R456-E470 IonicContact NH2-OE1 2.56Å; R456-E470 PolarHBondContact NH2-OE1 3.46Å; E470-Q472 PolarHBondContact O-N 2.82Å; E470-Q472 VanDerWaalsContact O-N 3.15Å
471	P	70.9	Confident	84.5	Confident	74 Å²	74	72 Å²	72	48%	0.481	39%	0.394	S	S	.	.			trans	-67.7	113.5	-179	24.4	-29.7	0	0	0	110.5
472	Q	67.3	Low	84.4	Confident	162 Å²	162	78.1 Å²	78.1	76%	0.757	42%	0.423	S	S	*	.			trans	-74.8	150.2	164.6	-68.3	-173.5	-9	0	0	109.6	E470 G474 A475	E470-Q472 PolarHBondContact O-N 2.82Å; E470-Q472 VanDerWaalsContact O-N 3.15Å; Q472-G474 PolarHBondContact O-N 3.26Å; Q472-A475 PolarHBondContact O-N 2.94Å
473	E	60.7	Low	84.4	Confident	209 Å²	209	74.9 Å²	74.9	98%	0.977	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.8	108.5	-173.6	-73	-176.7	157.3	0	0	113.1
474	G	65.1	Low	84.5	Confident	88 Å²	88	72.4 Å²	72.4	91%	0.907	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-4.1	176	0	0	0	0	0	116.9	Q472	Q472-G474 PolarHBondContact O-N 3.26Å
475	A	72.6	Confident	84.3	Confident	57 Å²	57	72.9 Å²	72.9	47%	0.471	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-96.9	139	177.6	0	0	0	0	0	112.3	Q472	Q472-A475 PolarHBondContact O-N 2.94Å
476	F	75.1	Confident	84	Confident	198 Å²	198	79.1 Å²	79.1	87%	0.868	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-70.7	140.3	172.6	-70.6	-81.2	0	0	0	110.8	K478	F476-K478 PolarHBondContact O-N 3.48Å
477	P	79.9	Confident	83.8	Confident	69 Å²	69	83.1 Å²	83.1	45%	0.448	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.5	122.8	176.9	24	-31.7	0	0	0	110	T469	T469-P477 WeakPolarHBondContact O-CB 3.25Å
478	K	87.6	Confident	83.6	Confident	151 Å²	151	84.2 Å²	84.2	66%	0.657	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-87.7	124.5	176.2	-176.7	-179.7	178.1	-178.7	0	109.8	T468 T469 F476 I480	T468-K478 WeakPolarHBondContact CA-O 3.33Å; T469-K478 PolarHBondContact N-O 2.76Å; T469-K478 WeakPolarHBondContact OG1-CB 3.48Å; T469-K478 PolarHBondContact OG1-N 3.23Å; T469-K478 PolarHBondContact OG1-O 3.05Å; T469-K478 VanDerWaalsContact OG1-O 3.13Å; F476-K478 PolarHBondContact O-N 3.48Å; K478-I480 PolarHBondContact O-N 2.75Å
479	T	90.9	Very high	83.4	Confident	70 Å²	70	90 Å²	90	43%	0.429	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	119.7	170.8	-52.5	0	0	0	0	110.2	I481 Q482	T479-I481 WeakPolarHBondContact CG2-O 3.41Å; T479-Q482 HydrophobicContact CG2-CB 4.12Å
480	I	90.8	Very high	83.3	Confident	63 Å²	63	92.9 Å²	92.9	32%	0.323	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-49.5	177.5	-50.2	179.4	0	0	0	109.4	Y450 C455 I467 T469 K478	Y450-I480 HydrophobicContact CD1-CG2 4.23Å; Y450-I480 HydrophobicContact CE1-CG2 4Å; C455-I480 WeakPolarHBondContact SG-CD1 3.08Å; I467-I480 HydrophobicContact CG2-CD1 4.24Å; I467-I480 PolarHBondContact O-N 3.48Å; T469-I480 HydrophobicContact CG2-CD1 3.72Å; T469-I480 HydrophobicContact CG2-CG1 3.93Å; K478-I480 PolarHBondContact O-N 2.75Å
481	I	89.6	Confident	83.8	Confident	23 Å²	23	90.4 Å²	90.4	12%	0.118	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.3	-178	-69.5	154.7	0	0	0	108.5	Y450 S466 I467 T479 I510	Y450-I481 HydrophobicContact CD1-CD1 4.35Å; Y450-I481 HydrophobicContact CE1-CD1 3.58Å; Y450-I481 HydrophobicContact CE2-CD1 4.27Å; Y450-I481 WeakPolarHBondContact OH-CD1 3.32Å; S466-I481 CarbonylContact C-O 3.57Å; S466-I481 VanDerWaalsContact CA-O 3.26Å; S466-I481 WeakPolarHBondContact CA-O 3.48Å; I467-I481 HydrophobicContact CB-CB 4.22Å; I467-I481 HydrophobicContact CD1-CB 4.25Å; I467-I481 HydrophobicContact CD1-CD1 3.84Å; I467-I481 HydrophobicContact CG1-CB 4.35Å; I467-I481 PolarHBondContact N-O 3.31Å; I467-I481 PolarHBondContact O-N 2.97Å; T479-I481 WeakPolarHBondContact CG2-O 3.41Å; I481-I510 HydrophobicContact CD1-CD1 3.74Å; I481-I510 HydrophobicContact CD1-CG1 4.35Å; I481-I510 HydrophobicContact CG2-CD1 4.06Å
482	Q	92.5	Very high	84.9	Confident	135 Å²	135	89 Å²	89	63%	0.631	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	119.5	167.4	-171.1	173.2	8.7	0	0	108.6	F465 T479	F465-Q482 CarbonylContact O-C 3.46Å; F465-Q482 VanDerWaalsContact O-CA 3.31Å; F465-Q482 WeakPolarHBondContact O-CA 3.02Å; T479-Q482 HydrophobicContact CG2-CB 4.12Å
483	S	92.6	Very high	86.1	Confident	4 Å²	4	83 Å²	83	3%	0.028	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129	-177.2	-73.9	0	0	0	0	110.9	F465 F503	F465-S483 PolarHBondContact N-O 3.4Å; F465-S483 PolarHBondContact O-N 3.25Å; S483-F503 VanDerWaalsContact CB-CE1 3.44Å
484	P	92.4	Very high	87.7	Confident	47 Å²	47	76 Å²	76	31%	0.305	41%	0.409	S	S	.	.			trans	-80	166.3	178.2	39	-39.9	0	0	0	110.8	E486 K487	P484-E486 VanDerWaalsContact CB-OE2 3.31Å; P484-E486 WeakPolarHBondContact CB-OE2 3.47Å; P484-E486 PolarHBondContact O-N 2.95Å; P484-K487 HydrophobicContact CG-CD 4.42Å; P484-K487 HydrophobicContact CG-CG 4.14Å; P484-K487 PolarHBondContact O-N 3.44Å
485	Y	90.8	Very high	88.9	Confident	10 Å²	10	73.2 Å²	73.2	4%	0.039	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.5	-177.3	-75.5	-77.5	0	0	0	113.7	I459 H460 Y461 F465 K487 L488 F528 L529 K532	I459-Y485 WeakPolarHBondContact CG2-OH 3.32Å; H460-Y485 WeakPolarHBondContact O-CE2 3.29Å; H460-Y485 PolarHBondContact O-OH 3.33Å; Y461-Y485 WeakPolarHBondContact O-CE2 3.42Å; F465-Y485 AromaticContact CE2-CD1 3.59Å; F465-Y485 HydrophobicContact CE2-CD1 3.59Å; F465-Y485 AromaticContact CE2-CE1 3.7Å; F465-Y485 HydrophobicContact CE2-CE1 3.7Å; F465-Y485 HydrophobicContact CE2-CG 4.3Å; F465-Y485 AromaticContact CZ-CD1 3.99Å; F465-Y485 HydrophobicContact CZ-CD1 3.99Å; F465-Y485 AromaticContact CZ-CE1 3.73Å; F465-Y485 HydrophobicContact CZ-CE1 3.73Å; Y485-K487 PolarHBondContact O-N 3.39Å; Y485-K487 VanDerWaalsContact O-N 3.17Å; Y485-L488 WeakPolarHBondContact O-CB 3.37Å; Y485-L488 PolarHBondContact O-N 3.08Å; Y485-F528 HydrophobicContact CE1-CB 4.4Å; Y485-F528 WeakPolarHBondContact OH-CB 3.42Å; Y485-F528 WeakPolarHBondContact OH-CD2 3.37Å; Y485-L529 HydrophobicContact CD1-CD1 4.42Å; Y485-L529 HydrophobicContact CD1-CD2 3.33Å; Y485-L529 HydrophobicContact CD1-CG 3.68Å; Y485-L529 HydrophobicContact CE1-CD2 4.1Å; Y485-L529 HydrophobicContact CE1-CG 3.96Å; Y485-L529 HydrophobicContact CG-CD2 3.83Å; Y485-K532 HydrophobicContact CD2-CD 4.24Å
486	E	89.1	Confident	89.8	Confident	136 Å²	136	76.3 Å²	76.3	64%	0.636	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-66.5	-18.4	-176.2	-60.5	72.8	-157.5	0	0	112.3	P484 K532	P484-E486 VanDerWaalsContact CB-OE2 3.31Å; P484-E486 WeakPolarHBondContact CB-OE2 3.47Å; P484-E486 PolarHBondContact O-N 2.95Å; E486-K532 IonicContact OE1-NZ 3.41Å; E486-K532 PolarHBondContact OE1-NZ 3.48Å
487	K	90.3	Very high	90.7	Very high	110 Å²	110	73 Å²	73	48%	0.478	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-88.1	-20	173.6	-67.1	-168.5	-176.3	176.6	0	113.3	P484 Y485 K489 F503	P484-K487 HydrophobicContact CG-CD 4.42Å; P484-K487 HydrophobicContact CG-CG 4.14Å; P484-K487 PolarHBondContact O-N 3.44Å; Y485-K487 PolarHBondContact O-N 3.39Å; Y485-K487 VanDerWaalsContact O-N 3.17Å; K487-K489 PolarHBondContact O-N 3.12Å; K487-F503 HydrophobicContact CB-CB 4.35Å; K487-F503 HydrophobicContact CB-CD1 4.05Å; K487-F503 CarbonylContact O-C 3.6Å; K487-F503 VanDerWaalsContact O-CA 3.23Å; K487-F503 WeakPolarHBondContact O-CA 3.48Å
488	L	91	Very high	91.5	Very high	27 Å²	27	71.4 Å²	71.4	14%	0.141	36%	0.356	C	S	.	.			trans	-70.8	113	-176.3	-174.7	74.1	0	0	0	110.1	F465 Y485 M490 L501 F503 I525 L529	F465-L488 HydrophobicContact CE2-CB 4.34Å; F465-L488 HydrophobicContact CE2-CD2 3.99Å; F465-L488 HydrophobicContact CZ-CD2 3.73Å; Y485-L488 WeakPolarHBondContact O-CB 3.37Å; Y485-L488 PolarHBondContact O-N 3.08Å; L488-M490 WeakPolarHBondContact CD1-O 3.47Å; L488-L501 HydrophobicContact CD1-CB 4.2Å; L488-L501 HydrophobicContact CD1-CD2 4.18Å; L488-F503 HydrophobicContact CB-CD1 4.13Å; L488-F503 HydrophobicContact CB-CE1 3.99Å; L488-F503 HydrophobicContact CD1-CD1 4.11Å; L488-F503 HydrophobicContact CD1-CE1 3.74Å; L488-F503 HydrophobicContact CD1-CE2 4.39Å; L488-F503 HydrophobicContact CD1-CZ 3.9Å; L488-F503 HydrophobicContact CG-CE1 4.47Å; L488-I525 HydrophobicContact CD2-CG2 4.06Å; L488-L529 HydrophobicContact CD2-CD1 4.35Å
489	K	89.4	Confident	91.9	Very high	144 Å²	144	64.2 Å²	64.2	63%	0.626	33%	0.325	S	S	*	.			trans	-88.1	-41.5	177.2	-66.9	-173.6	176.6	-176.8	0	112.2	K487 D502	K487-K489 PolarHBondContact O-N 3.12Å; K489-D502 PolarHBondContact N-O 2.78Å
490	M	89.5	Confident	92.1	Very high	96 Å²	96	63.5 Å²	63.5	47%	0.473	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	143.1	-176.6	-168	174.4	-65.2	0	0	110.8	M1 L488 D502	M1-M490 HydrophobicContact CE-CE 4.38Å; L488-M490 WeakPolarHBondContact CD1-O 3.47Å; M490-D502 HydrophobicContact CB-CB 4.2Å; M490-D502 PolarHBondContact N-O 3.08Å; M490-D502 PolarHBondContact O-N 2.7Å
491	S	92.8	Very high	92.3	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.1	164.5	60.2	0	0	0	0	108.7	Y500	S491-Y500 WeakPolarHBondContact CA-O 3.14Å
492	S	92.2	Very high	92.5	Very high	43 Å²	43	61.6 Å²	61.6	30%	0.301	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.1	177	61.4	0	0	0	0	110.5	Y500	S492-Y500 PolarHBondContact N-O 3.21Å; S492-Y500 PolarHBondContact O-N 2.92Å; S492-Y500 WeakPolarHBondContact OG-CB 3.43Å
493	D	94.1	Very high	92.3	Very high	38 Å²	38	55.8 Å²	55.8	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.4	-174.8	77.7	90.8	0	0	0	111.8	G495 M498 P518 K519 V522	D493-G495 VanDerWaalsContact OD1-CA 3.24Å; D493-G495 WeakPolarHBondContact OD1-CA 3.24Å; D493-G495 PolarHBondContact OD1-N 2.72Å; D493-M498 WeakPolarHBondContact CA-O 3.32Å; D493-P518 HydrophobicContact CB-CB 3.91Å; D493-P518 HydrophobicContact CB-CG 3.49Å; D493-P518 VanDerWaalsContact CB-CG 3.49Å; D493-K519 WeakPolarHBondContact OD1-CD 3.06Å; D493-K519 WeakPolarHBondContact OD1-CE 3.43Å; D493-K519 IonicContact OD1-NZ 3.87Å; D493-K519 PolarHBondContact OD1-NZ 2.77Å; D493-K519 IonicContact OD2-NZ 3.17Å; D493-K519 PolarHBondContact OD2-NZ 2.82Å; D493-V522 HydrophobicContact CB-CG2 3.99Å
494	D	93.4	Very high	91.8	Very high	60 Å²	60	56 Å²	56	32%	0.321	28%	0.282	S	S	.	.			trans	-89	-1.8	177.8	71.8	-10.6	0	0	0	113.9	I496 R497 M498 Y500	D494-I496 PolarHBondContact O-N 3.23Å; D494-I496 WeakPolarHBondContact OD1-CA 3.39Å; D494-I496 PolarHBondContact OD1-N 3.15Å; D494-R497 PolarHBondContact OD1-N 3.33Å; D494-M498 HydrophobicContact CB-CB 4.19Å; D494-M498 VanDerWaalsContact CG-N 3.31Å; D494-M498 PolarHBondContact N-O 2.9Å; D494-M498 VanDerWaalsContact N-O 3.17Å; D494-M498 PolarHBondContact OD1-N 3.45Å; D494-M498 WeakPolarHBondContact OD2-CB 3.5Å; D494-M498 VanDerWaalsContact OD2-CG 3.26Å; D494-M498 WeakPolarHBondContact OD2-CG 3.5Å; D494-M498 PolarHBondContact OD2-N 3.31Å; D494-Y500 HydrophobicContact CB-CE2 4.24Å
495	G	89.7	Confident	91	Very high	30 Å²	30	57.5 Å²	57.5	31%	0.309	31%	0.306	S	S	.	.	S	Bend	trans	74.3	-3.7	-174.4	0	0	0	0	0	115.3	D493 C517	D493-G495 VanDerWaalsContact OD1-CA 3.24Å; D493-G495 WeakPolarHBondContact OD1-CA 3.24Å; D493-G495 PolarHBondContact OD1-N 2.72Å; G495-C517 PolarHBondContact O-SG 2.84Å; G495-C517 VanDerWaalsContact O-SG 3.34Å
496	I	92.1	Very high	89.9	Confident	123 Å²	123	67.3 Å²	67.3	63%	0.631	35%	0.348	S	S	*	.	S	Bend	trans	-115.4	-62	-171.6	-57.5	171.7	0	0	0	110.6	D494 S516 C517	D494-I496 PolarHBondContact O-N 3.23Å; D494-I496 WeakPolarHBondContact OD1-CA 3.39Å; D494-I496 PolarHBondContact OD1-N 3.15Å; I496-S516 CarbonylContact O-C 3.54Å; I496-C517 VanDerWaalsContact O-CA 3.29Å; I496-C517 WeakPolarHBondContact O-CA 3.31Å; I496-C517 PolarHBondContact O-N 3.21Å
497	R	94.3	Very high	88.9	Confident	128 Å²	128	65.6 Å²	65.6	48%	0.483	34%	0.344	S	S	.	.	S	Bend	trans	-156.7	-16.1	179.1	72	-175.7	-165.3	-128.9	-3.5	115.9	D494 D513 L514 S516	D494-R497 PolarHBondContact OD1-N 3.33Å; R497-D513 VanDerWaalsContact CD-OD1 3.24Å; R497-D513 WeakPolarHBondContact CD-OD1 3.18Å; R497-D513 WeakPolarHBondContact CG-OD1 3.2Å; R497-D513 IonicContact CZ-OD2 3.89Å; R497-D513 IonicContact NE-OD1 3.63Å; R497-D513 PolarHBondContact NE-OD1 2.74Å; R497-D513 IonicContact NE-OD2 2.76Å; R497-D513 PolarHBondContact NE-OD2 2.83Å; R497-D513 IonicContact NH2-OD2 3.62Å; R497-L514 PolarHBondContact O-N 2.84Å; R497-S516 WeakPolarHBondContact CA-O 3.38Å
498	M	96.1	Very high	88.4	Confident	35 Å²	35	61.6 Å²	61.6	17%	0.172	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.4	-176.4	-59.1	-60.1	-62.5	0	0	111.2	D493 D494 Y500 Q511 L512 D513	D493-M498 WeakPolarHBondContact CA-O 3.32Å; D494-M498 HydrophobicContact CB-CB 4.19Å; D494-M498 VanDerWaalsContact CG-N 3.31Å; D494-M498 PolarHBondContact N-O 2.9Å; D494-M498 VanDerWaalsContact N-O 3.17Å; D494-M498 PolarHBondContact OD1-N 3.45Å; D494-M498 WeakPolarHBondContact OD2-CB 3.5Å; D494-M498 VanDerWaalsContact OD2-CG 3.26Å; D494-M498 WeakPolarHBondContact OD2-CG 3.5Å; D494-M498 PolarHBondContact OD2-N 3.31Å; M498-Y500 HydrophobicContact CB-CE2 3.7Å; M498-Y500 WeakPolarHBondContact CB-OH 3.47Å; M498-Q511 HydrophobicContact CE-CB 4.22Å; M498-L512 WeakPolarHBondContact CA-O 3.22Å; M498-D513 HydrophobicContact CE-CB 4.45Å; M498-D513 HydrophobicContact SD-CB 3.77Å
499	L	96.7	Very high	88.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.8	169.7	177.5	70.7	0	0	0	109.4	L457 L501 L512 L514 P518 I521 V522	L457-L499 HydrophobicContact CD2-CD2 3.78Å; L499-L501 HydrophobicContact CD1-CD2 4.3Å; L499-L501 HydrophobicContact CD2-CD1 4.23Å; L499-L501 HydrophobicContact CD2-CD2 4.27Å; L499-L501 HydrophobicContact CD2-CG 4.22Å; L499-L501 HydrophobicContact CG-CD2 4.22Å; L499-L501 HydrophobicContact CG-CG 4.19Å; L499-L512 HydrophobicContact CB-CB 4.41Å; L499-L512 HydrophobicContact CD2-CD1 4.37Å; L499-L512 PolarHBondContact N-O 2.79Å; L499-L512 PolarHBondContact O-N 2.86Å; L499-L514 HydrophobicContact CB-CD1 3.91Å; L499-L514 HydrophobicContact CB-CD2 4.45Å; L499-L514 HydrophobicContact CB-CG 4.03Å; L499-L514 HydrophobicContact CD2-CD1 4.17Å; L499-L514 HydrophobicContact CD2-CD2 4.48Å; L499-P518 HydrophobicContact CB-CB 4.27Å; L499-I521 HydrophobicContact CD2-CG2 3.79Å; L499-V522 HydrophobicContact CD1-CG2 3.71Å
500	Y	95.5	Very high	88.5	Confident	55 Å²	55	58.4 Å²	58.4	22%	0.216	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	179	-52.5	-92.1	0	0	0	109.2	S491 S492 D494 M498 I510 Q511	S491-Y500 WeakPolarHBondContact CA-O 3.14Å; S492-Y500 PolarHBondContact N-O 3.21Å; S492-Y500 PolarHBondContact O-N 2.92Å; S492-Y500 WeakPolarHBondContact OG-CB 3.43Å; D494-Y500 HydrophobicContact CB-CE2 4.24Å; M498-Y500 HydrophobicContact CB-CE2 3.7Å; M498-Y500 WeakPolarHBondContact CB-OH 3.47Å; Y500-I510 WeakPolarHBondContact CA-O 3.46Å; Y500-Q511 HydrophobicContact CD1-CB 4.37Å; Y500-Q511 HydrophobicContact CD1-CG 3.79Å; Y500-Q511 HydrophobicContact CE1-CB 4.43Å; Y500-Q511 HydrophobicContact CE1-CG 3.99Å
501	L	94.8	Very high	88.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.2	178.5	-59.4	176.8	0	0	0	109.5	F465 L488 L499 F503 I510 L512 I525	F465-L501 HydrophobicContact CD1-CD1 4.01Å; F465-L501 HydrophobicContact CE1-CD1 4.28Å; L488-L501 HydrophobicContact CD1-CB 4.2Å; L488-L501 HydrophobicContact CD1-CD2 4.18Å; L499-L501 HydrophobicContact CD1-CD2 4.3Å; L499-L501 HydrophobicContact CD2-CD1 4.23Å; L499-L501 HydrophobicContact CD2-CD2 4.27Å; L499-L501 HydrophobicContact CD2-CG 4.22Å; L499-L501 HydrophobicContact CG-CD2 4.22Å; L499-L501 HydrophobicContact CG-CG 4.19Å; L501-F503 HydrophobicContact CB-CD2 4.27Å; L501-F503 HydrophobicContact CB-CE2 3.56Å; L501-F503 HydrophobicContact CB-CZ 4.12Å; L501-F503 HydrophobicContact CD1-CE2 4.2Å; L501-F503 HydrophobicContact CD1-CZ 4.24Å; L501-I510 PolarHBondContact N-O 3.25Å; L501-I510 PolarHBondContact O-N 2.81Å; L501-L512 HydrophobicContact CD1-CD1 4.16Å; L501-I525 HydrophobicContact CD2-CD1 3.95Å
502	D	92.8	Very high	88.9	Confident	45 Å²	45	57.4 Å²	57.4	24%	0.241	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.9	176.1	178.5	15.8	0	0	0	110.2	K489 M490 G504	K489-D502 PolarHBondContact N-O 2.78Å; M490-D502 HydrophobicContact CB-CB 4.2Å; M490-D502 PolarHBondContact N-O 3.08Å; M490-D502 PolarHBondContact O-N 2.7Å; D502-G504 WeakPolarHBondContact OD1-CA 3.29Å; D502-G504 PolarHBondContact OD1-N 2.74Å
503	F	89.8	Confident	89.1	Confident	12 Å²	12	56.8 Å²	56.8	5%	0.053	31%	0.305	C	S	.	.			trans	-100	-0.7	174.6	-63.7	-84.6	0	0	0	113.1	F465 S483 K487 L488 L501 G508 I510	F465-F503 HydrophobicContact CB-CE1 4.44Å; F465-F503 HydrophobicContact CB-CZ 3.94Å; F465-F503 HydrophobicContact CD1-CZ 4.27Å; F465-F503 AromaticContact CD2-CE1 3.58Å; F465-F503 HydrophobicContact CD2-CE1 3.58Å; F465-F503 AromaticContact CD2-CZ 3.71Å; F465-F503 HydrophobicContact CD2-CZ 3.71Å; F465-F503 HydrophobicContact CE2-CE1 4.07Å; F465-F503 HydrophobicContact CE2-CZ 4.31Å; F465-F503 HydrophobicContact CG-CE1 4.08Å; F465-F503 AromaticContact CG-CZ 3.7Å; F465-F503 HydrophobicContact CG-CZ 3.7Å; S483-F503 VanDerWaalsContact CB-CE1 3.44Å; K487-F503 HydrophobicContact CB-CB 4.35Å; K487-F503 HydrophobicContact CB-CD1 4.05Å; K487-F503 CarbonylContact O-C 3.6Å; K487-F503 VanDerWaalsContact O-CA 3.23Å; K487-F503 WeakPolarHBondContact O-CA 3.48Å; L488-F503 HydrophobicContact CB-CD1 4.13Å; L488-F503 HydrophobicContact CB-CE1 3.99Å; L488-F503 HydrophobicContact CD1-CD1 4.11Å; L488-F503 HydrophobicContact CD1-CE1 3.74Å; L488-F503 HydrophobicContact CD1-CE2 4.39Å; L488-F503 HydrophobicContact CD1-CZ 3.9Å; L488-F503 HydrophobicContact CG-CE1 4.47Å; L501-F503 HydrophobicContact CB-CD2 4.27Å; L501-F503 HydrophobicContact CB-CE2 3.56Å; L501-F503 HydrophobicContact CB-CZ 4.12Å; L501-F503 HydrophobicContact CD1-CE2 4.2Å; L501-F503 HydrophobicContact CD1-CZ 4.24Å; F503-G508 PolarHBondContact N-O 2.9Å; F503-I510 HydrophobicContact CD2-CD1 3.67Å; F503-I510 HydrophobicContact CE2-CD1 3.75Å
504	G	82.1	Confident	89.2	Confident	10 Å²	10	55.2 Å²	55.2	10%	0.103	30%	0.297	C	S	.	.			trans	62.2	-175.6	-173.6	0	0	0	0	0	114.7	D502	D502-G504 WeakPolarHBondContact OD1-CA 3.29Å; D502-G504 PolarHBondContact OD1-N 2.74Å
505	G	75.3	Confident	89.2	Confident	78 Å²	78	57 Å²	57	80%	0.804	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-140.8	175.4	0	0	0	0	0	113.6
506	K	67.8	Low	89.3	Confident	215 Å²	215	57.8 Å²	57.8	94%	0.935	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.4	-178.2	-67.3	-174.5	-179.9	-178.5	0	113.6
507	D	66.9	Low	89.4	Confident	100 Å²	100	52.5 Å²	52.5	54%	0.535	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-22.6	-175.2	-59.2	-50.2	0	0	0	112.4
508	G	80.9	Confident	89.5	Confident	27 Å²	27	46.4 Å²	46.4	28%	0.278	26%	0.255	S	S	.	.			trans	61.7	-152.3	173.8	0	0	0	0	0	114.1	F503	F503-G508 PolarHBondContact N-O 2.9Å
509	E	90.1	Very high	89.4	Confident	101 Å²	101	46.9 Å²	46.9	47%	0.472	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.1	171.8	-174.5	-173.3	-103.4	0	0	110.2	Q511	E509-Q511 PolarHBondContact OE2-NE2 3.47Å
510	I	92.2	Very high	89.3	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	173.6	-67.8	168.1	0	0	0	108.6	Y450 I467 I481 Y500 L501 F503 L512	Y450-I510 HydrophobicContact CD2-CG2 4.04Å; Y450-I510 HydrophobicContact CE2-CG2 3.73Å; I467-I510 HydrophobicContact CD1-CG2 4.12Å; I481-I510 HydrophobicContact CD1-CD1 3.74Å; I481-I510 HydrophobicContact CD1-CG1 4.35Å; I481-I510 HydrophobicContact CG2-CD1 4.06Å; Y500-I510 WeakPolarHBondContact CA-O 3.46Å; L501-I510 PolarHBondContact N-O 3.25Å; L501-I510 PolarHBondContact O-N 2.81Å; F503-I510 HydrophobicContact CD2-CD1 3.67Å; F503-I510 HydrophobicContact CE2-CD1 3.75Å; I510-L512 HydrophobicContact CG2-CD1 4.34Å; I510-L512 HydrophobicContact CG2-CD2 3.81Å; I510-L512 HydrophobicContact CG2-CG 3.88Å
511	Q	95.1	Very high	89.4	Confident	101 Å²	101	46.3 Å²	46.3	47%	0.472	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.3	177.4	-51.5	-171.1	-5.6	0	0	109.5	M498 Y500 E509	M498-Q511 HydrophobicContact CE-CB 4.22Å; Y500-Q511 HydrophobicContact CD1-CB 4.37Å; Y500-Q511 HydrophobicContact CD1-CG 3.79Å; Y500-Q511 HydrophobicContact CE1-CB 4.43Å; Y500-Q511 HydrophobicContact CE1-CG 3.99Å; E509-Q511 PolarHBondContact OE2-NE2 3.47Å
512	L	95.8	Very high	89.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.5	-178.5	-57.3	173.7	0	0	0	109.7	C448 Y450 L457 I467 M498 L499 L501 I510 L514	C448-L512 HydrophobicContact CB-CB 4.47Å; Y450-L512 HydrophobicContact CD2-CD2 3.65Å; Y450-L512 HydrophobicContact CG-CD2 3.98Å; L457-L512 HydrophobicContact CB-CD1 4.49Å; L457-L512 HydrophobicContact CD1-CD1 4.05Å; L457-L512 HydrophobicContact CD2-CD1 3.85Å; L457-L512 HydrophobicContact CG-CD1 4.34Å; I467-L512 HydrophobicContact CD1-CD1 4.08Å; I467-L512 HydrophobicContact CD1-CD2 3.72Å; I467-L512 HydrophobicContact CD1-CG 4.5Å; M498-L512 WeakPolarHBondContact CA-O 3.22Å; L499-L512 HydrophobicContact CB-CB 4.41Å; L499-L512 HydrophobicContact CD2-CD1 4.37Å; L499-L512 PolarHBondContact N-O 2.79Å; L499-L512 PolarHBondContact O-N 2.86Å; L501-L512 HydrophobicContact CD1-CD1 4.16Å; I510-L512 HydrophobicContact CG2-CD1 4.34Å; I510-L512 HydrophobicContact CG2-CD2 3.81Å; I510-L512 HydrophobicContact CG2-CG 3.88Å; L512-L514 HydrophobicContact CB-CD2 4.18Å
513	D	96.6	Very high	89.4	Confident	29 Å²	29	45.6 Å²	45.6	16%	0.155	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	110.5	168.8	-166.9	-29.2	0	0	0	108.5	C448 T449 R497 M498 H515	C448-D513 CarbonylContact C-O 3.2Å; C448-D513 WeakPolarHBondContact CA-O 3.37Å; C448-D513 WeakPolarHBondContact CB-O 3.14Å; T449-D513 PolarHBondContact N-O 2.76Å; T449-D513 PolarHBondContact O-N 2.98Å; T449-D513 VanDerWaalsContact O-N 3.08Å; R497-D513 VanDerWaalsContact CD-OD1 3.24Å; R497-D513 WeakPolarHBondContact CD-OD1 3.18Å; R497-D513 WeakPolarHBondContact CG-OD1 3.2Å; R497-D513 IonicContact CZ-OD2 3.89Å; R497-D513 IonicContact NE-OD1 3.63Å; R497-D513 PolarHBondContact NE-OD1 2.74Å; R497-D513 IonicContact NE-OD2 2.76Å; R497-D513 PolarHBondContact NE-OD2 2.83Å; R497-D513 IonicContact NH2-OD2 3.62Å; M498-D513 HydrophobicContact CE-CB 4.45Å; M498-D513 HydrophobicContact SD-CB 3.77Å; D513-H515 VanDerWaalsContact C-N 3.3Å; D513-H515 IonicContact OD1-CD2 3.5Å; D513-H515 PolarHBondContact OD1-CD2 2.73Å; D513-H515 PolarHBondContact OD1-N 2.83Å
514	L	94.6	Very high	89.7	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	26%	0.255	C	S	.	.			trans	-87.6	1.6	-178	-58.3	-171.4	0	0	0	113.5	T446 C448 L457 R497 L499 L512 S516 P518 I521	T446-L514 HydrophobicContact CG2-CD2 4.02Å; C448-L514 HydrophobicContact CB-CD2 3.62Å; L457-L514 HydrophobicContact CD2-CD2 4.34Å; R497-L514 PolarHBondContact O-N 2.84Å; L499-L514 HydrophobicContact CB-CD1 3.91Å; L499-L514 HydrophobicContact CB-CD2 4.45Å; L499-L514 HydrophobicContact CB-CG 4.03Å; L499-L514 HydrophobicContact CD2-CD1 4.17Å; L499-L514 HydrophobicContact CD2-CD2 4.48Å; L512-L514 HydrophobicContact CB-CD2 4.18Å; L514-S516 PolarHBondContact O-N 2.94Å; L514-S516 PolarHBondContact O-OG 3.37Å; L514-P518 HydrophobicContact CD1-CB 3.86Å; L514-I521 HydrophobicContact CD1-CB 4.2Å; L514-I521 HydrophobicContact CD1-CG1 3.81Å
515	H	93.4	Very high	90.3	Very high	98 Å²	98	45.4 Å²	45.4	45%	0.454	25%	0.25	S	S	.	.	S	Bend	trans	56	9	-174.7	-44.8	146.8	0	0	0	114.7	T449 E454 D513	T449-H515 PolarHBondContact OG1-CE1 2.79Å; T449-H515 PolarHBondContact OG1-NE2 3.01Å; E454-H515 IonicContact OE1-CE1 3.87Å; E454-H515 IonicContact OE2-CE1 2.66Å; E454-H515 PolarHBondContact OE2-CE1 3.24Å; D513-H515 VanDerWaalsContact C-N 3.3Å; D513-H515 IonicContact OD1-CD2 3.5Å; D513-H515 PolarHBondContact OD1-CD2 2.73Å; D513-H515 PolarHBondContact OD1-N 2.83Å
516	S	93.4	Very high	91.1	Very high	46 Å²	46	44.6 Å²	44.6	32%	0.322	23%	0.225	S	C	.	.	S	Bend	trans	-160.8	161.5	-173.6	61.7	0	0	0	0	110.4	I496 R497 L514 P518	I496-S516 CarbonylContact O-C 3.54Å; R497-S516 WeakPolarHBondContact CA-O 3.38Å; L514-S516 PolarHBondContact O-N 2.94Å; L514-S516 PolarHBondContact O-OG 3.37Å; S516-P518 WeakPolarHBondContact O-CD 3.44Å
517	C	94.4	Very high	92.4	Very high	13 Å²	13	34.5 Å²	34.5	9%	0.088	18%	0.182	C	C	.	.			trans	-53.1	124.1	-177.2	-172	0	0	0	0	111.2	R407 G495 I496 K519 P520	R407-C517 WeakPolarHBondContact O-CB 2.97Å; G495-C517 PolarHBondContact O-SG 2.84Å; G495-C517 VanDerWaalsContact O-SG 3.34Å; I496-C517 VanDerWaalsContact O-CA 3.29Å; I496-C517 WeakPolarHBondContact O-CA 3.31Å; I496-C517 PolarHBondContact O-N 3.21Å; C517-K519 VanDerWaalsContact C-N 3.28Å; C517-K519 PolarHBondContact O-N 3.39Å; C517-K519 VanDerWaalsContact SG-CG 3.59Å; C517-P520 WeakPolarHBondContact O-CD 3.24Å
518	P	95.2	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-77.6	-8.4	-174.1	29.3	-36.5	0	0	0	114	D493 L499 L514 S516 P520 I521 V522	D493-P518 HydrophobicContact CB-CB 3.91Å; D493-P518 HydrophobicContact CB-CG 3.49Å; D493-P518 VanDerWaalsContact CB-CG 3.49Å; L499-P518 HydrophobicContact CB-CB 4.27Å; L514-P518 HydrophobicContact CD1-CB 3.86Å; S516-P518 WeakPolarHBondContact O-CD 3.44Å; P518-P520 VanDerWaalsContact C-CD 3.48Å; P518-I521 PolarHBondContact O-N 3.29Å; P518-V522 PolarHBondContact O-N 3.49Å
519	K	94.6	Very high	94.3	Very high	44 Å²	44	30.5 Å²	30.5	19%	0.191	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-44.5	-176.1	-65.3	-57.2	-170.6	-159.9	0	114.5	I410 D493 C517 I521 V522 F523	I410-K519 HydrophobicContact CD1-CD 3.98Å; I410-K519 HydrophobicContact CG1-CB 4.3Å; I410-K519 HydrophobicContact CG1-CD 3.92Å; I410-K519 HydrophobicContact CG1-CG 3.95Å; D493-K519 WeakPolarHBondContact OD1-CD 3.06Å; D493-K519 WeakPolarHBondContact OD1-CE 3.43Å; D493-K519 IonicContact OD1-NZ 3.87Å; D493-K519 PolarHBondContact OD1-NZ 2.77Å; D493-K519 IonicContact OD2-NZ 3.17Å; D493-K519 PolarHBondContact OD2-NZ 2.82Å; C517-K519 VanDerWaalsContact C-N 3.28Å; C517-K519 PolarHBondContact O-N 3.39Å; C517-K519 VanDerWaalsContact SG-CG 3.59Å; K519-I521 VanDerWaalsContact C-N 3.31Å; K519-I521 PolarHBondContact O-N 3.07Å; K519-V522 PolarHBondContact O-N 3.01Å; K519-F523 WeakPolarHBondContact O-CD2 3.49Å; K519-F523 PolarHBondContact O-N 3.34Å
520	P	94.9	Very high	94.4	Very high	26 Å²	26	27.6 Å²	27.6	17%	0.169	15%	0.145	C	C	.	.	H	α-helix	trans	-57.9	-44.4	175.8	-20.8	32	0	0	0	111.9	G405 C517 P518 F523 I524	G405-P520 WeakPolarHBondContact O-CG 3.29Å; C517-P520 WeakPolarHBondContact O-CD 3.24Å; P518-P520 VanDerWaalsContact C-CD 3.48Å; P520-F523 PolarHBondContact O-N 2.94Å; P520-I524 WeakPolarHBondContact O-CD1 3.47Å; P520-I524 WeakPolarHBondContact O-CG1 3.44Å; P520-I524 PolarHBondContact O-N 3.13Å
521	I	96	Very high	94.4	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.092	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-44.9	-178.9	-60.3	-58.1	0	0	0	111.3	I444 T446 L457 I459 L499 L514 P518 K519 F523 I524 I525	I444-I521 HydrophobicContact CD1-CD1 3.62Å; T446-I521 HydrophobicContact CG2-CD1 4.1Å; T446-I521 HydrophobicContact CG2-CG1 4.43Å; L457-I521 HydrophobicContact CD2-CG2 4.39Å; I459-I521 HydrophobicContact CD1-CG2 3.54Å; L499-I521 HydrophobicContact CD2-CG2 3.79Å; L514-I521 HydrophobicContact CD1-CB 4.2Å; L514-I521 HydrophobicContact CD1-CG1 3.81Å; P518-I521 PolarHBondContact O-N 3.29Å; K519-I521 VanDerWaalsContact C-N 3.31Å; K519-I521 PolarHBondContact O-N 3.07Å; I521-F523 VanDerWaalsContact C-N 3.31Å; I521-F523 PolarHBondContact O-N 2.86Å; I521-I524 HydrophobicContact CD1-CD1 4.48Å; I521-I524 PolarHBondContact O-N 3.27Å; I521-I525 HydrophobicContact CG2-CD1 4.06Å; I521-I525 HydrophobicContact CG2-CG1 4.49Å; I521-I525 WeakPolarHBondContact O-CG1 3.47Å; I521-I525 PolarHBondContact O-N 2.63Å
522	V	94.3	Very high	94.2	Very high	11 Å²	11	23.8 Å²	23.8	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-47.4	175.4	174.5	0	0	0	0	110.5	D493 L499 P518 K519 I524 I525 H526	D493-V522 HydrophobicContact CB-CG2 3.99Å; L499-V522 HydrophobicContact CD1-CG2 3.71Å; P518-V522 PolarHBondContact O-N 3.49Å; K519-V522 PolarHBondContact O-N 3.01Å; V522-I524 VanDerWaalsContact C-N 3.34Å; V522-I524 PolarHBondContact O-N 2.62Å; V522-I525 PolarHBondContact O-N 3.34Å; V522-H526 PolarHBondContact O-CD2 2.63Å; V522-H526 PolarHBondContact O-N 2.82Å; V522-H526 VanDerWaalsContact O-N 3.14Å
523	F	95.3	Very high	93.9	Very high	21 Å²	21	27.4 Å²	27.4	9%	0.092	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-41.7	178.1	-85.9	-119.5	0	0	0	112.2	A379 R381 R403 I410 K519 P520 I521 H526 S527	A379-F523 HydrophobicContact CB-CB 4.47Å; A379-F523 WeakPolarHBondContact O-CD1 3.17Å; R381-F523 HydrophobicContact CB-CD1 4.42Å; R381-F523 HydrophobicContact CB-CE1 4.34Å; R381-F523 HydrophobicContact CG-CD1 3.78Å; R381-F523 HydrophobicContact CG-CE1 4.15Å; R403-F523 HydrophobicContact CB-CE1 3.92Å; R403-F523 HydrophobicContact CB-CZ 4.15Å; R403-F523 WeakPolarHBondContact O-CE1 3.24Å; I410-F523 HydrophobicContact CD1-CE2 4.03Å; I410-F523 HydrophobicContact CD1-CZ 4.25Å; I410-F523 HydrophobicContact CG1-CE2 4.12Å; I410-F523 HydrophobicContact CG1-CZ 4.31Å; I410-F523 HydrophobicContact CG2-CZ 4.01Å; K519-F523 WeakPolarHBondContact O-CD2 3.49Å; K519-F523 PolarHBondContact O-N 3.34Å; P520-F523 PolarHBondContact O-N 2.94Å; I521-F523 VanDerWaalsContact C-N 3.31Å; I521-F523 PolarHBondContact O-N 2.86Å; F523-H526 PolarHBondContact O-N 2.87Å; F523-S527 PolarHBondContact O-N 2.91Å; F523-S527 PolarHBondContact O-OG 3.04Å; F523-S527 VanDerWaalsContact O-OG 3.13Å
524	I	95.8	Very high	93.5	Very high	17 Å²	17	29 Å²	29	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-44.4	178.3	-67	164.2	0	0	0	111.5	L378 A379 I444 P520 I521 V522 H526 S527 F528	L378-I524 HydrophobicContact CB-CG1 4.39Å; L378-I524 HydrophobicContact CD2-CB 4.38Å; L378-I524 HydrophobicContact CD2-CD1 4.31Å; L378-I524 HydrophobicContact CD2-CG1 3.97Å; L378-I524 HydrophobicContact CD2-CG2 3.62Å; L378-I524 HydrophobicContact CG-CB 4.26Å; L378-I524 HydrophobicContact CG-CG1 3.84Å; L378-I524 HydrophobicContact CG-CG2 3.83Å; L378-I524 WeakPolarHBondContact O-CA 3.47Å; A379-I524 HydrophobicContact CB-CG1 4.16Å; I444-I524 HydrophobicContact CD1-CB 4.14Å; I444-I524 HydrophobicContact CD1-CD1 3.75Å; I444-I524 HydrophobicContact CD1-CG2 3.57Å; I444-I524 HydrophobicContact CG1-CG2 3.8Å; I444-I524 HydrophobicContact CG2-CG2 4.44Å; P520-I524 WeakPolarHBondContact O-CD1 3.47Å; P520-I524 WeakPolarHBondContact O-CG1 3.44Å; P520-I524 PolarHBondContact O-N 3.13Å; I521-I524 HydrophobicContact CD1-CD1 4.48Å; I521-I524 PolarHBondContact O-N 3.27Å; V522-I524 VanDerWaalsContact C-N 3.34Å; V522-I524 PolarHBondContact O-N 2.62Å; I524-H526 VanDerWaalsContact C-N 3.26Å; I524-H526 PolarHBondContact O-N 3.2Å; I524-S527 PolarHBondContact O-N 3.37Å; I524-S527 VanDerWaalsContact O-N 3.1Å; I524-F528 HydrophobicContact CG2-CD2 3.95Å; I524-F528 HydrophobicContact CG2-CE2 3.67Å; I524-F528 HydrophobicContact CG2-CZ 4.12Å; I524-F528 PolarHBondContact O-N 2.78Å
525	I	94.9	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55	-46.7	174.7	-68.5	167	0	0	0	110.2	I459 F465 L488 L501 I521 V522 S527 F528 L529	I459-I525 HydrophobicContact CD1-CD1 4.03Å; I459-I525 HydrophobicContact CD1-CG1 3.72Å; I459-I525 HydrophobicContact CG2-CG1 4.38Å; F465-I525 HydrophobicContact CE1-CD1 3.8Å; F465-I525 HydrophobicContact CE1-CG1 3.84Å; F465-I525 HydrophobicContact CE1-CG2 4.4Å; F465-I525 HydrophobicContact CZ-CD1 4.39Å; F465-I525 HydrophobicContact CZ-CG1 4.21Å; F465-I525 HydrophobicContact CZ-CG2 3.94Å; L488-I525 HydrophobicContact CD2-CG2 4.06Å; L501-I525 HydrophobicContact CD2-CD1 3.95Å; I521-I525 HydrophobicContact CG2-CD1 4.06Å; I521-I525 HydrophobicContact CG2-CG1 4.49Å; I521-I525 WeakPolarHBondContact O-CG1 3.47Å; I521-I525 PolarHBondContact O-N 2.63Å; V522-I525 PolarHBondContact O-N 3.34Å; I525-S527 PolarHBondContact O-N 3.36Å; I525-F528 PolarHBondContact O-N 2.94Å; I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 WeakPolarHBondContact O-CB 3.42Å; I525-L529 WeakPolarHBondContact O-CG 3.41Å; I525-L529 PolarHBondContact O-N 2.65Å
526	H	92.2	Very high	92.7	Very high	61 Å²	61	34.3 Å²	34.3	28%	0.282	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-34.8	178.7	-70.5	-71.2	0	0	0	113.6	R381 V522 F523 I524 S530	R381-H526 VanDerWaalsContact NH1-CG 3.32Å; V522-H526 PolarHBondContact O-CD2 2.63Å; V522-H526 PolarHBondContact O-N 2.82Å; V522-H526 VanDerWaalsContact O-N 3.14Å; F523-H526 PolarHBondContact O-N 2.87Å; I524-H526 VanDerWaalsContact C-N 3.26Å; I524-H526 PolarHBondContact O-N 3.2Å; H526-S530 WeakPolarHBondContact O-CB 3.06Å; H526-S530 PolarHBondContact O-N 3.2Å
527	S	94	Very high	92.1	Very high	3 Å²	3	35 Å²	35	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-46.1	175.8	-65.6	0	0	0	0	111.3	L378 F523 I524 I525 S530 A531	L378-S527 VanDerWaalsContact O-CB 3.25Å; L378-S527 WeakPolarHBondContact O-CB 3.37Å; L378-S527 PolarHBondContact O-OG 3.16Å; F523-S527 PolarHBondContact O-N 2.91Å; F523-S527 PolarHBondContact O-OG 3.04Å; F523-S527 VanDerWaalsContact O-OG 3.13Å; I524-S527 PolarHBondContact O-N 3.37Å; I524-S527 VanDerWaalsContact O-N 3.1Å; I525-S527 PolarHBondContact O-N 3.36Å; S527-S530 PolarHBondContact O-N 2.86Å; S527-A531 WeakPolarHBondContact O-CB 3.49Å; S527-A531 PolarHBondContact O-N 2.97Å
528	F	95.6	Very high	91.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-47.7	174.3	-73.1	-30.3	0	0	0	112.1	L378 A438 I444 I459 Y461 Y485 I524 I525 S530 A531 K532	L378-F528 HydrophobicContact CD1-CD1 4.02Å; L378-F528 HydrophobicContact CD1-CE1 3.68Å; L378-F528 HydrophobicContact CD1-CZ 4.31Å; L378-F528 HydrophobicContact CD2-CE1 4.27Å; L378-F528 HydrophobicContact CD2-CZ 4.1Å; A438-F528 HydrophobicContact CB-CD1 3.61Å; A438-F528 HydrophobicContact CB-CE1 3.98Å; A438-F528 WeakPolarHBondContact O-CE1 3.33Å; I444-F528 HydrophobicContact CG1-CE2 4.17Å; I459-F528 HydrophobicContact CB-CE2 4.35Å; I459-F528 HydrophobicContact CG2-CD2 3.7Å; I459-F528 HydrophobicContact CG2-CE2 3.87Å; I459-F528 WeakPolarHBondContact O-CE2 3.38Å; Y461-F528 HydrophobicContact CD2-CB 4.09Å; Y461-F528 AromaticContact CD2-CD1 3.66Å; Y461-F528 HydrophobicContact CD2-CD1 3.66Å; Y461-F528 HydrophobicContact CD2-CE1 4.42Å; Y461-F528 HydrophobicContact CD2-CG 4.14Å; Y461-F528 HydrophobicContact CG-CD1 4.25Å; Y485-F528 HydrophobicContact CE1-CB 4.4Å; Y485-F528 WeakPolarHBondContact OH-CB 3.42Å; Y485-F528 WeakPolarHBondContact OH-CD2 3.37Å; I524-F528 HydrophobicContact CG2-CD2 3.95Å; I524-F528 HydrophobicContact CG2-CE2 3.67Å; I524-F528 HydrophobicContact CG2-CZ 4.12Å; I524-F528 PolarHBondContact O-N 2.78Å; I525-F528 PolarHBondContact O-N 2.94Å; F528-S530 PolarHBondContact O-N 2.81Å; F528-A531 PolarHBondContact O-N 2.91Å; F528-K532 VanDerWaalsContact O-CB 3.3Å; F528-K532 WeakPolarHBondContact O-CB 3.47Å; F528-K532 PolarHBondContact O-N 2.73Å
529	L	92.4	Very high	89.3	Confident	44 Å²	44	44.3 Å²	44.3	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-46.9	176	-79.9	170.3	0	0	0	112	Y485 L488 I525 K532 I533	Y485-L529 HydrophobicContact CD1-CD1 4.42Å; Y485-L529 HydrophobicContact CD1-CD2 3.33Å; Y485-L529 HydrophobicContact CD1-CG 3.68Å; Y485-L529 HydrophobicContact CE1-CD2 4.1Å; Y485-L529 HydrophobicContact CE1-CG 3.96Å; Y485-L529 HydrophobicContact CG-CD2 3.83Å; L488-L529 HydrophobicContact CD2-CD1 4.35Å; I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 WeakPolarHBondContact O-CB 3.42Å; I525-L529 WeakPolarHBondContact O-CG 3.41Å; I525-L529 PolarHBondContact O-N 2.65Å; L529-K532 PolarHBondContact O-N 3.46Å; L529-I533 WeakPolarHBondContact O-CB 3.42Å; L529-I533 WeakPolarHBondContact O-CD1 3.24Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.37Å
530	S	91.9	Very high	86.5	Confident	39 Å²	39	49.2 Å²	49.2	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-46.5	179.9	-176.8	0	0	0	0	111.7	H435 H526 S527 F528 I533 T534	H435-S530 PolarHBondContact NE2-OG 3.34Å; H435-S530 VanDerWaalsContact NE2-OG 3.07Å; H526-S530 WeakPolarHBondContact O-CB 3.06Å; H526-S530 PolarHBondContact O-N 3.2Å; S527-S530 PolarHBondContact O-N 2.86Å; F528-S530 PolarHBondContact O-N 2.81Å; S530-I533 PolarHBondContact O-N 2.73Å; S530-T534 PolarHBondContact O-N 3.43Å; S530-T534 PolarHBondContact O-OG1 3.05Å; S530-T534 VanDerWaalsContact O-OG1 3.11Å
531	A	92.7	Very high	86.1	Confident	2 Å²	2	50.4 Å²	50.4	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-43.2	178.9	0	0	0	0	0	111.3	H435 A438 Y461 S527 F528 I533 T534 R535	H435-A531 HydrophobicContact CB-CB 3.96Å; A438-A531 HydrophobicContact CB-CB 3.93Å; Y461-A531 HydrophobicContact CE2-CB 3.79Å; S527-A531 WeakPolarHBondContact O-CB 3.49Å; S527-A531 PolarHBondContact O-N 2.97Å; F528-A531 PolarHBondContact O-N 2.91Å; A531-I533 PolarHBondContact O-N 3.03Å; A531-T534 PolarHBondContact O-N 2.88Å; A531-R535 WeakPolarHBondContact O-CB 3.32Å; A531-R535 PolarHBondContact O-N 2.92Å
532	K	90.2	Very high	85.6	Confident	23 Å²	23	52.1 Å²	52.1	10%	0.1	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-44	177.9	-170.3	174	176.3	-173.5	0	111.7	Y461 Y485 E486 F528 L529 R535 L536	Y461-K532 HydrophobicContact CE2-CB 4.08Å; Y485-K532 HydrophobicContact CD2-CD 4.24Å; E486-K532 IonicContact OE1-NZ 3.41Å; E486-K532 PolarHBondContact OE1-NZ 3.48Å; F528-K532 VanDerWaalsContact O-CB 3.3Å; F528-K532 WeakPolarHBondContact O-CB 3.47Å; F528-K532 PolarHBondContact O-N 2.73Å; L529-K532 PolarHBondContact O-N 3.46Å; K532-R535 PolarHBondContact O-N 3.13Å; K532-L536 HydrophobicContact CG-CD1 4.16Å; K532-L536 WeakPolarHBondContact O-CB 3.42Å; K532-L536 VanDerWaalsContact O-CG 3.25Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.37Å
533	I	88.8	Confident	85.1	Confident	75 Å²	75	54.3 Å²	54.3	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-46.2	176.9	-70.1	167.6	0	0	0	111.1	L529 S530 A531 L536 G537 L538 V539	L529-I533 WeakPolarHBondContact O-CB 3.42Å; L529-I533 WeakPolarHBondContact O-CD1 3.24Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.37Å; S530-I533 PolarHBondContact O-N 2.73Å; A531-I533 PolarHBondContact O-N 3.03Å; I533-L536 PolarHBondContact O-N 3.33Å; I533-G537 PolarHBondContact O-N 2.82Å; I533-L538 HydrophobicContact CG2-CB 4.04Å; I533-L538 PolarHBondContact O-N 3.28Å; I533-V539 HydrophobicContact CG2-CG2 3.88Å
534	T	88.4	Confident	84.5	Confident	62 Å²	62	56.3 Å²	56.3	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-60.8	-45.3	177.7	-64.5	0	0	0	0	111.4	H435 S530 A531 L536 G537	H435-T534 PolarHBondContact CE1-OG1 2.97Å; S530-T534 PolarHBondContact O-N 3.43Å; S530-T534 PolarHBondContact O-OG1 3.05Å; S530-T534 VanDerWaalsContact O-OG1 3.11Å; A531-T534 PolarHBondContact O-N 2.88Å; T534-L536 VanDerWaalsContact C-N 3.31Å; T534-L536 PolarHBondContact O-N 3.29Å; T534-G537 PolarHBondContact O-N 3.47Å; T534-G537 VanDerWaalsContact O-N 3.07Å
535	R	87.6	Confident	83.8	Confident	117 Å²	117	58.8 Å²	58.8	44%	0.442	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-36.5	178	-172.4	-177.1	67	161.8	-3.3	113	E462 A531 K532 G537	E462-R535 IonicContact OE1-CZ 2.89Å; E462-R535 IonicContact OE1-NH1 3.53Å; E462-R535 PolarHBondContact OE1-NH1 3.31Å; E462-R535 IonicContact OE1-NH2 3.59Å; E462-R535 PolarHBondContact OE1-NH2 3.01Å; E462-R535 IonicContact OE2-CZ 2.75Å; E462-R535 IonicContact OE2-NH2 3.67Å; E462-R535 PolarHBondContact OE2-NH2 3.42Å; A531-R535 WeakPolarHBondContact O-CB 3.32Å; A531-R535 PolarHBondContact O-N 2.92Å; K532-R535 PolarHBondContact O-N 3.13Å; R535-G537 PolarHBondContact O-N 3.45Å
536	L	85.3	Confident	83.1	Confident	98 Å²	98	62.7 Å²	62.7	51%	0.513	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.3	177.2	-68.2	172.4	0	0	0	113.3	K532 I533 T534 L538	K532-L536 HydrophobicContact CG-CD1 4.16Å; K532-L536 WeakPolarHBondContact O-CB 3.42Å; K532-L536 VanDerWaalsContact O-CG 3.25Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.37Å; I533-L536 PolarHBondContact O-N 3.33Å; T534-L536 VanDerWaalsContact C-N 3.31Å; T534-L536 PolarHBondContact O-N 3.29Å; L536-L538 HydrophobicContact CB-CD1 3.79Å; L536-L538 HydrophobicContact CB-CG 3.8Å; L536-L538 HydrophobicContact CD1-CD1 3.98Å; L536-L538 PolarHBondContact O-N 3.03Å
537	G	79.7	Confident	82.4	Confident	60 Å²	60	62.8 Å²	62.8	62%	0.619	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	19.1	-178.6	0	0	0	0	0	113.4	I533 T534 R535 V539	I533-G537 PolarHBondContact O-N 2.82Å; T534-G537 PolarHBondContact O-N 3.47Å; T534-G537 VanDerWaalsContact O-N 3.07Å; R535-G537 PolarHBondContact O-N 3.45Å; G537-V539 PolarHBondContact O-N 3.43Å
538	L	73.4	Confident	81.5	Confident	125 Å²	125	67.4 Å²	67.4	65%	0.654	41%	0.41	S	S	*	.			trans	-82.6	13.9	-177.5	-64.6	173.5	0	0	0	112.7	I533 L536	I533-L538 HydrophobicContact CG2-CB 4.04Å; I533-L538 PolarHBondContact O-N 3.28Å; L536-L538 HydrophobicContact CB-CD1 3.79Å; L536-L538 HydrophobicContact CB-CG 3.8Å; L536-L538 HydrophobicContact CD1-CD1 3.98Å; L536-L538 PolarHBondContact O-N 3.03Å
539	V	56.6	Low	80.4	Confident	84 Å²	84	73 Å²	73	51%	0.509	45%	0.445	S	S	.	.			trans	-96.6	107.4	175.5	-170.8	0	0	0	0	107.5	I533 G537	I533-V539 HydrophobicContact CG2-CG2 3.88Å; G537-V539 PolarHBondContact O-N 3.43Å
540	A	37.3	Very low	79.3	Confident	147 Å²	147	75.6 Å²	75.6	100%	1.215	46%	0.464	S	S	*	.			trans	-89.3	0	168.6	0	0	0	0	0	110.8

Retrieved 540 of 540 residues in 2365.9 ms (Link to these results)

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