A0A077ZHC0_TRITR Loading...

ABC tran 2 and ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHC0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	87	Confident	81.8	Confident	48 Å²	48	76.2 Å²	76.2	24%	0.236	39%	0.39	C	S	.	.				0	138.4	0	-67.2	172.9	72.6	0	0	109.2	V4 L20 L41 I44 M45 E55 A56	M1-V4 HydrophobicContact CB-CG2 3.92Å; M1-V4 HydrophobicContact CE-CB 3.76Å; M1-V4 HydrophobicContact CE-CG1 3.7Å; M1-V4 HydrophobicContact CE-CG2 3.64Å; M1-V4 HydrophobicContact CG-CG2 4.39Å; M1-L20 HydrophobicContact CB-CB 4.49Å; M1-L20 PolarHBondContact N-O 3.32Å; M1-L20 PolarHBondContact O-N 2.71Å; M1-L20 VanDerWaalsContact O-N 3.11Å; M1-L41 HydrophobicContact CE-CD1 3.84Å; M1-L41 HydrophobicContact SD-CD1 4.34Å; M1-I44 HydrophobicContact CE-CG2 3.77Å; M1-M45 HydrophobicContact CE-CG 4.44Å; M1-M45 HydrophobicContact SD-CG 3.53Å; M1-M45 VanDerWaalsContact SD-CG 3.53Å; M1-M45 HydrophobicContact SD-SD 4.3Å; M1-E55 CarbonylContact C-O 3.59Å; M1-E55 WeakPolarHBondContact CA-O 3.48Å; M1-A56 HydrophobicContact CE-CB 4.42Å; M1-A56 HydrophobicContact CG-CB 3.96Å
2	H	87.5	Confident	81.4	Confident	106 Å²	106	82.6 Å²	82.6	49%	0.491	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.2	-178.3	179.7	-93.7	0	0	0	111	V4 E55	H2-V4 VanDerWaalsContact C-N 3.28Å; H2-V4 PolarHBondContact O-N 3.38Å; H2-E55 PolarHBondContact N-O 2.7Å; H2-E55 PolarHBondContact O-N 3.48Å
3	R	88	Confident	81.3	Confident	155 Å²	155	82.4 Å²	82.4	59%	0.585	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.3	40.6	178.8	-58.5	-166	-177.9	-175.7	-2	114.6	G5 N17 I18 S19	R3-G5 PolarHBondContact O-N 2.81Å; R3-N17 WeakPolarHBondContact CA-OD1 3.42Å; R3-N17 WeakPolarHBondContact CB-OD1 3.07Å; R3-N17 WeakPolarHBondContact CG-OD1 3.34Å; R3-I18 PolarHBondContact N-O 3.35Å; R3-S19 PolarHBondContact N-OG 3Å
4	V	88.6	Confident	81.5	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.4	-175.9	173.8	0	0	0	0	111.3	M1 H2 N17 I18 I44 I52 E53 E55 A56	M1-V4 HydrophobicContact CB-CG2 3.92Å; M1-V4 HydrophobicContact CE-CB 3.76Å; M1-V4 HydrophobicContact CE-CG1 3.7Å; M1-V4 HydrophobicContact CE-CG2 3.64Å; M1-V4 HydrophobicContact CG-CG2 4.39Å; H2-V4 VanDerWaalsContact C-N 3.28Å; H2-V4 PolarHBondContact O-N 3.38Å; V4-N17 CarbonylContact O-C 3.41Å; V4-N17 PolarHBondContact O-N 3.17Å; V4-N17 VanDerWaalsContact O-N 3.08Å; V4-I18 PolarHBondContact N-O 3.08Å; V4-I18 PolarHBondContact O-N 3.27Å; V4-I44 HydrophobicContact CG1-CD1 4.34Å; V4-I44 HydrophobicContact CG1-CG2 4.25Å; V4-I52 HydrophobicContact CG1-CB 4.34Å; V4-I52 HydrophobicContact CG1-CD1 4.21Å; V4-I52 HydrophobicContact CG1-CG2 4.41Å; V4-I52 HydrophobicContact CG2-CD1 4.33Å; V4-E53 CarbonylContact C-O 3.57Å; V4-E53 VanDerWaalsContact CA-O 3.23Å; V4-E53 WeakPolarHBondContact CA-O 3.3Å; V4-E55 WeakPolarHBondContact CG2-O 3.36Å; V4-A56 HydrophobicContact CG2-CB 4.24Å
5	G	89.7	Confident	82.1	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148	173	0	0	0	0	0	111.1	R3 L15 I52 E53	R3-G5 PolarHBondContact O-N 2.81Å; G5-L15 CarbonylContact C-O 3.56Å; G5-L15 WeakPolarHBondContact CA-O 3.05Å; G5-I52 WeakPolarHBondContact O-CA 3.14Å; G5-E53 PolarHBondContact N-O 3.28Å; G5-E53 PolarHBondContact O-N 3.09Å
6	K	89.9	Confident	82.6	Confident	15 Å²	15	74.8 Å²	74.8	7%	0.065	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.1	170.6	-175.9	72.6	-179.8	-176.6	0	109.9	H13 I14 L15 T40 I44 D49 D51 I52	K6-H13 WeakPolarHBondContact O-CA 3.44Å; K6-I14 PolarHBondContact O-N 2.97Å; K6-L15 HydrophobicContact CB-CB 4.1Å; K6-L15 HydrophobicContact CB-CD1 4.25Å; K6-L15 HydrophobicContact CB-CG 4.26Å; K6-L15 PolarHBondContact N-O 2.88Å; K6-L15 PolarHBondContact O-N 3.23Å; K6-T40 HydrophobicContact CB-CG2 4.49Å; K6-T40 HydrophobicContact CD-CG2 4.47Å; K6-T40 HydrophobicContact CG-CG2 3.91Å; K6-I44 HydrophobicContact CB-CD1 4.38Å; K6-D49 VanDerWaalsContact CE-OD2 3.23Å; K6-D49 WeakPolarHBondContact CE-OD2 3.41Å; K6-D49 VanDerWaalsContact NZ-CG 3.3Å; K6-D49 IonicContact NZ-OD1 2.82Å; K6-D49 PolarHBondContact NZ-OD1 2.97Å; K6-D49 IonicContact NZ-OD2 3.99Å; K6-D49 PolarHBondContact NZ-OD2 2.87Å; K6-D51 WeakPolarHBondContact CD-O 3.2Å; K6-D51 WeakPolarHBondContact CE-O 3.41Å; K6-D51 PolarHBondContact NZ-O 3.33Å; K6-D51 IonicContact NZ-OD2 3.43Å; K6-D51 PolarHBondContact NZ-OD2 3.34Å; K6-I52 HydrophobicContact CD-CG2 4.34Å
7	V	85	Confident	82.8	Confident	43 Å²	43	76.5 Å²	76.5	26%	0.261	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	175	-175.5	0	0	0	0	108.2	K11 R12 H13	V7-K11 HydrophobicContact CG1-CB 4.28Å; V7-R12 WeakPolarHBondContact CA-O 3.36Å; V7-H13 WeakPolarHBondContact CG2-CE1 3.48Å; V7-H13 WeakPolarHBondContact CG2-ND1 3.41Å
8	V	78.5	Confident	83.1	Confident	42 Å²	42	72.6 Å²	72.6	26%	0.255	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.9	170.1	-61.2	0	0	0	0	110.4	K11 R12 I14	V8-K11 CarbonylContact O-C 3.59Å; V8-K11 WeakPolarHBondContact O-CA 3.36Å; V8-K11 PolarHBondContact O-N 2.87Å; V8-R12 HydrophobicContact CG2-CB 4.11Å; V8-R12 PolarHBondContact N-O 3.12Å; V8-R12 PolarHBondContact O-N 2.91Å; V8-I14 HydrophobicContact CB-CD1 4.11Å; V8-I14 HydrophobicContact CG1-CD1 3.4Å; V8-I14 HydrophobicContact CG1-CG1 4.04Å; V8-I14 HydrophobicContact CG2-CD1 3.6Å; V8-I14 HydrophobicContact CG2-CG1 3.74Å
9	P	67.8	Low	83.3	Confident	123 Å²	123	72.3 Å²	72.3	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	140.5	171.6	-24.6	34.6	0	0	0	111.6
10	P	68.5	Low	83.5	Confident	124 Å²	124	69.6 Å²	69.6	81%	0.805	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.2	61	0.4	38.2	-33.2	0	0	0	112.4
11	K	69.6	Low	83.5	Confident	181 Å²	181	71.6 Å²	71.6	79%	0.787	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	33.9	-175.9	-51.3	-179.3	177.6	-178.3	0	115.7	V7 V8	V7-K11 HydrophobicContact CG1-CB 4.28Å; V8-K11 CarbonylContact O-C 3.59Å; V8-K11 WeakPolarHBondContact O-CA 3.36Å; V8-K11 PolarHBondContact O-N 2.87Å
12	R	76.3	Confident	83.3	Confident	153 Å²	153	72.1 Å²	72.1	58%	0.577	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	121	170.3	-178.6	177.8	172.4	-170.6	-4.3	109.2	V7 V8 I14	V7-R12 WeakPolarHBondContact CA-O 3.36Å; V8-R12 HydrophobicContact CG2-CB 4.11Å; V8-R12 PolarHBondContact N-O 3.12Å; V8-R12 PolarHBondContact O-N 2.91Å; R12-I14 PolarHBondContact O-N 2.73Å
13	H	81.2	Confident	83	Confident	80 Å²	80	73.9 Å²	73.9	37%	0.37	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.4	167.9	-71	-96.9	0	0	0	109.2	K6 V7 K16 E53	K6-H13 WeakPolarHBondContact O-CA 3.44Å; V7-H13 WeakPolarHBondContact CG2-CE1 3.48Å; V7-H13 WeakPolarHBondContact CG2-ND1 3.41Å; H13-K16 HydrophobicContact CB-CD 4.15Å; H13-K16 VanDerWaalsContact CB-CE 3.45Å; H13-K16 HydrophobicContact CB-CG 3.62Å; H13-E53 IonicContact CE1-OE2 2.92Å
14	I	84.1	Confident	82.8	Confident	27 Å²	27	72 Å²	72	14%	0.138	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-40.9	170.4	-60.3	-173.6	0	0	0	109.6	K6 V8 R12 G228	K6-I14 PolarHBondContact O-N 2.97Å; V8-I14 HydrophobicContact CB-CD1 4.11Å; V8-I14 HydrophobicContact CG1-CD1 3.4Å; V8-I14 HydrophobicContact CG1-CG1 4.04Å; V8-I14 HydrophobicContact CG2-CD1 3.6Å; V8-I14 HydrophobicContact CG2-CG1 3.74Å; R12-I14 PolarHBondContact O-N 2.73Å; I14-G228 WeakPolarHBondContact O-CA 3.42Å
15	L	89.9	Confident	82.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137	176.9	-54.8	176.5	0	0	0	108.4	G5 K6 I18 T40 L41 I44 L225 G228	G5-L15 CarbonylContact C-O 3.56Å; G5-L15 WeakPolarHBondContact CA-O 3.05Å; K6-L15 HydrophobicContact CB-CB 4.1Å; K6-L15 HydrophobicContact CB-CD1 4.25Å; K6-L15 HydrophobicContact CB-CG 4.26Å; K6-L15 PolarHBondContact N-O 2.88Å; K6-L15 PolarHBondContact O-N 3.23Å; L15-I18 HydrophobicContact CB-CD1 3.77Å; L15-I18 HydrophobicContact CB-CG1 4.38Å; L15-I18 HydrophobicContact CD1-CD1 4.3Å; L15-I18 HydrophobicContact CD2-CD1 3.56Å; L15-I18 HydrophobicContact CG-CD1 4.05Å; L15-T40 HydrophobicContact CD1-CG2 4.44Å; L15-L41 HydrophobicContact CD1-CB 4.23Å; L15-L41 HydrophobicContact CD1-CD1 4.29Å; L15-I44 HydrophobicContact CD1-CD1 3.7Å; L15-L225 HydrophobicContact CD2-CD1 4.03Å; L15-G228 CarbonylContact C-O 3.53Å
16	K	89.3	Confident	83	Confident	98 Å²	98	74 Å²	74	43%	0.426	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	114.8	-176.3	-65.1	176.4	-176	166	0	109.3	H13 I18 G228	H13-K16 HydrophobicContact CB-CD 4.15Å; H13-K16 VanDerWaalsContact CB-CE 3.45Å; H13-K16 HydrophobicContact CB-CG 3.62Å; K16-I18 PolarHBondContact O-N 3.41Å; K16-I18 VanDerWaalsContact O-N 3.12Å; K16-G228 PolarHBondContact N-O 3.22Å
17	N	86.6	Confident	83.2	Confident	105 Å²	105	74.6 Å²	74.6	56%	0.561	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	33.9	168.2	-164.4	35.8	0	0	0	115	R3 V4 S19	R3-N17 WeakPolarHBondContact CA-OD1 3.42Å; R3-N17 WeakPolarHBondContact CB-OD1 3.07Å; R3-N17 WeakPolarHBondContact CG-OD1 3.34Å; V4-N17 CarbonylContact O-C 3.41Å; V4-N17 PolarHBondContact O-N 3.17Å; V4-N17 VanDerWaalsContact O-N 3.08Å; N17-S19 PolarHBondContact O-N 3.04Å
18	I	87.9	Confident	83.7	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.026	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	120	-177.3	-63.9	-173	0	0	0	109.8	R3 V4 L15 K16 L20 L41 L225	R3-I18 PolarHBondContact N-O 3.35Å; V4-I18 PolarHBondContact N-O 3.08Å; V4-I18 PolarHBondContact O-N 3.27Å; L15-I18 HydrophobicContact CB-CD1 3.77Å; L15-I18 HydrophobicContact CB-CG1 4.38Å; L15-I18 HydrophobicContact CD1-CD1 4.3Å; L15-I18 HydrophobicContact CD2-CD1 3.56Å; L15-I18 HydrophobicContact CG-CD1 4.05Å; K16-I18 PolarHBondContact O-N 3.41Å; K16-I18 VanDerWaalsContact O-N 3.12Å; I18-L20 HydrophobicContact CG2-CD1 3.36Å; I18-L20 HydrophobicContact CG2-CD2 4.47Å; I18-L20 HydrophobicContact CG2-CG 3.55Å; I18-L41 HydrophobicContact CG2-CD1 4.46Å; I18-L225 HydrophobicContact CD1-CD2 4.04Å
19	S	87.5	Confident	84.6	Confident	67 Å²	67	71 Å²	71	47%	0.469	38%	0.384	S	S	.	.			trans	-120.5	114.7	175.1	-57	0	0	0	0	108.4	R3 N17	R3-S19 PolarHBondContact N-OG 3Å; N17-S19 PolarHBondContact O-N 3.04Å
20	L	86.4	Confident	85.9	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.094	35%	0.346	C	S	.	.			trans	-135.6	133.9	-172.9	-65.2	169.1	0	0	0	109.3	M1 I18 F22 L41 L223	M1-L20 HydrophobicContact CB-CB 4.49Å; M1-L20 PolarHBondContact N-O 3.32Å; M1-L20 PolarHBondContact O-N 2.71Å; M1-L20 VanDerWaalsContact O-N 3.11Å; I18-L20 HydrophobicContact CG2-CD1 3.36Å; I18-L20 HydrophobicContact CG2-CD2 4.47Å; I18-L20 HydrophobicContact CG2-CG 3.55Å; L20-F22 HydrophobicContact CB-CE1 4.42Å; L20-F22 HydrophobicContact CB-CE2 4.13Å; L20-F22 HydrophobicContact CB-CZ 3.88Å; L20-F22 HydrophobicContact CD1-CZ 3.96Å; L20-F22 HydrophobicContact CG-CZ 4.34Å; L20-L41 HydrophobicContact CD1-CD1 4.29Å; L20-L41 HydrophobicContact CD1-CD2 4.39Å; L20-L223 HydrophobicContact CD1-CD2 3.61Å; L20-L223 HydrophobicContact CD2-CD1 3.89Å; L20-L223 HydrophobicContact CD2-CD2 4.18Å
21	S	83.5	Confident	86.9	Confident	113 Å²	113	59.3 Å²	59.3	79%	0.79	31%	0.308	S	S	*	.			trans	-133	128.7	169.5	-170.7	0	0	0	0	107.1
22	F	82.7	Confident	87.8	Confident	58 Å²	58	51 Å²	51	25%	0.254	27%	0.274	S	S	.	.			trans	-108.9	137.7	-177.9	-55.9	-65.2	0	0	0	109.4	L20 I28 M45 M176 T204	L20-F22 HydrophobicContact CB-CE1 4.42Å; L20-F22 HydrophobicContact CB-CE2 4.13Å; L20-F22 HydrophobicContact CB-CZ 3.88Å; L20-F22 HydrophobicContact CD1-CZ 3.96Å; L20-F22 HydrophobicContact CG-CZ 4.34Å; F22-I28 HydrophobicContact CB-CD1 4.16Å; F22-I28 HydrophobicContact CD1-CD1 3.18Å; F22-I28 HydrophobicContact CD1-CG1 4.14Å; F22-I28 HydrophobicContact CE1-CD1 3.61Å; F22-I28 HydrophobicContact CE1-CG1 4.3Å; F22-I28 HydrophobicContact CG-CD1 3.77Å; F22-M45 HydrophobicContact CD2-CE 4.04Å; F22-M45 HydrophobicContact CE2-CE 3.27Å; F22-M45 HydrophobicContact CE2-SD 4.19Å; F22-M45 HydrophobicContact CZ-CE 3.89Å; F22-M45 HydrophobicContact CZ-SD 4.48Å; F22-M176 HydrophobicContact CD2-CE 4.16Å; F22-T204 HydrophobicContact CB-CG2 4.29Å
23	F	81.4	Confident	88	Confident	143 Å²	143	45.9 Å²	45.9	63%	0.627	26%	0.258	S	S	*	.			trans	-74.9	143.5	171.8	-62.4	-72.5	0	0	0	109.6	G25 A26	F23-G25 PolarHBondContact O-N 2.96Å; F23-A26 WeakPolarHBondContact O-CB 3.18Å; F23-A26 PolarHBondContact O-N 3.07Å; F23-A26 VanDerWaalsContact O-N 3.12Å
24	P	85.1	Confident	87.9	Confident	116 Å²	116	44 Å²	44	75%	0.753	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	135.1	170.1	-26.2	34.9	0	0	0	111.3	A26	P24-A26 VanDerWaalsContact C-N 3.28Å; P24-A26 PolarHBondContact O-N 3.4Å
25	G	88.2	Confident	87.5	Confident	28 Å²	28	45.2 Å²	45.2	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-4.4	-179.9	0	0	0	0	0	115.1	F23 K27 E202 T204	F23-G25 PolarHBondContact O-N 2.96Å; G25-K27 PolarHBondContact O-NZ 3.02Å; G25-E202 WeakPolarHBondContact CA-O 3.49Å; G25-T204 PolarHBondContact N-OG1 3.11Å
26	A	92.8	Very high	87.2	Confident	16 Å²	16	46 Å²	46	13%	0.132	28%	0.276	C	S	.	.			trans	-62	142	179.3	0	0	0	0	0	112	F23 P24 I28 T204 V205	F23-A26 WeakPolarHBondContact O-CB 3.18Å; F23-A26 PolarHBondContact O-N 3.07Å; F23-A26 VanDerWaalsContact O-N 3.12Å; P24-A26 VanDerWaalsContact C-N 3.28Å; P24-A26 PolarHBondContact O-N 3.4Å; A26-I28 HydrophobicContact CB-CD1 3.91Å; A26-I28 HydrophobicContact CB-CG1 4.31Å; A26-T204 HydrophobicContact CB-CG2 4.37Å; A26-T204 CarbonylContact O-C 3.57Å; A26-T204 WeakPolarHBondContact O-CA 3.37Å; A26-T204 WeakPolarHBondContact O-CG2 3.34Å; A26-V205 PolarHBondContact O-N 3.25Å
27	K	95.5	Very high	87.1	Confident	26 Å²	26	41.6 Å²	41.6	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.6	175.2	-55.8	-62.5	-178.9	-84.1	0	108.7	G25 L198 F201 G203 V205 V218 G220 W221	G25-K27 PolarHBondContact O-NZ 3.02Å; K27-L198 WeakPolarHBondContact CD-O 3.4Å; K27-L198 WeakPolarHBondContact CE-O 3.46Å; K27-F201 WeakPolarHBondContact CE-O 3.39Å; K27-F201 PolarHBondContact NZ-O 2.99Å; K27-G203 PolarHBondContact NZ-O 2.89Å; K27-V205 HydrophobicContact CD-CB 3.65Å; K27-V205 HydrophobicContact CD-CG2 3.52Å; K27-V218 HydrophobicContact CB-CG1 4.33Å; K27-V218 WeakPolarHBondContact CB-O 3.47Å; K27-V218 HydrophobicContact CG-CG1 4.46Å; K27-G220 PolarHBondContact O-N 3.01Å; K27-W221 PolarHBondContact O-N 3.09Å; K27-W221 VanDerWaalsContact O-N 3.08Å
28	I	95.5	Very high	87.3	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.7	-169.3	-59.2	132.4	0	0	0	109.8	F22 A26 V30 T204 V205 V206 A207 W221 L223	F22-I28 HydrophobicContact CB-CD1 4.16Å; F22-I28 HydrophobicContact CD1-CD1 3.18Å; F22-I28 HydrophobicContact CD1-CG1 4.14Å; F22-I28 HydrophobicContact CE1-CD1 3.61Å; F22-I28 HydrophobicContact CE1-CG1 4.3Å; F22-I28 HydrophobicContact CG-CD1 3.77Å; A26-I28 HydrophobicContact CB-CD1 3.91Å; A26-I28 HydrophobicContact CB-CG1 4.31Å; I28-V30 HydrophobicContact CG2-CG2 4.46Å; I28-T204 HydrophobicContact CD1-CG2 4.21Å; I28-V205 PolarHBondContact N-O 2.7Å; I28-V206 HydrophobicContact CB-CG2 4.32Å; I28-V206 HydrophobicContact CD1-CG2 3.85Å; I28-V206 HydrophobicContact CG2-CG1 4.44Å; I28-V206 WeakPolarHBondContact O-CA 3.28Å; I28-A207 PolarHBondContact O-N 3.44Å; I28-W221 CarbonylContact C-O 3.56Å; I28-W221 VanDerWaalsContact CA-O 3.31Å; I28-W221 WeakPolarHBondContact CA-O 3.49Å; I28-W221 HydrophobicContact CG1-CB 3.94Å; I28-L223 HydrophobicContact CG2-CB 4.09Å
29	G	95.8	Very high	87.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.1	168.3	0	0	0	0	0	110.9	A207 W221 I222 L223	G29-A207 CarbonylContact C-O 3.49Å; G29-A207 WeakPolarHBondContact CA-O 3.47Å; G29-W221 PolarHBondContact N-O 3.17Å; G29-I222 CarbonylContact O-C 3.53Å; G29-I222 WeakPolarHBondContact O-CA 3.31Å; G29-L223 PolarHBondContact O-N 2.99Å
30	V	95.1	Very high	87.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.1	177.1	-178.3	0	0	0	0	109.7	I28 K38 V206 A207 I208 L223 L225	I28-V30 HydrophobicContact CG2-CG2 4.46Å; V30-K38 HydrophobicContact CG1-CB 4.22Å; V30-K38 HydrophobicContact CG1-CD 4.45Å; V30-K38 HydrophobicContact CG1-CG 4.25Å; V30-V206 HydrophobicContact CG2-CG1 3.54Å; V30-A207 PolarHBondContact N-O 3.36Å; V30-I208 HydrophobicContact CB-CG1 3.83Å; V30-I208 HydrophobicContact CG1-CG1 4.16Å; V30-L223 CarbonylContact C-O 3.49Å; V30-L223 WeakPolarHBondContact CA-O 3.5Å; V30-L223 HydrophobicContact CG2-CB 4.42Å; V30-L223 HydrophobicContact CG2-CD2 4.46Å; V30-L225 HydrophobicContact CG1-CD1 4.36Å; V30-L225 HydrophobicContact CG1-CG 4.3Å
31	L	91.3	Very high	88	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	162.9	-179.8	-65.6	-174.6	0	0	0	111.6	L215 I222 L223 L225 Y237 W240 I470	L31-L215 HydrophobicContact CD2-CD1 3.56Å; L31-L215 HydrophobicContact CG-CD1 4.42Å; L31-I222 HydrophobicContact CB-CG2 4.33Å; L31-I222 HydrophobicContact CD1-CD1 4.48Å; L31-I222 HydrophobicContact CD1-CG2 3.63Å; L31-I222 HydrophobicContact CG-CG2 3.93Å; L31-L223 PolarHBondContact N-O 3.42Å; L31-L225 PolarHBondContact O-N 3.02Å; L31-Y237 HydrophobicContact CD1-CD2 4.13Å; L31-Y237 HydrophobicContact CD1-CE2 4.4Å; L31-W240 HydrophobicContact CB-CZ2 4.41Å; L31-W240 HydrophobicContact CD1-CD2 3.83Å; L31-W240 HydrophobicContact CD1-CE3 3.71Å; L31-W240 HydrophobicContact CD1-CH2 3.66Å; L31-W240 HydrophobicContact CD1-CZ2 3.79Å; L31-W240 HydrophobicContact CD1-CZ3 3.65Å; L31-I470 HydrophobicContact CD1-CD1 4.27Å; L31-I470 HydrophobicContact CD2-CD1 3.36Å; L31-I470 HydrophobicContact CD2-CG1 4.43Å; L31-I470 HydrophobicContact CG-CD1 4.45Å
32	G	86.9	Confident	88.5	Confident	7 Å²	7	29.8 Å²	29.8	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.1	159.9	176.3	0	0	0	0	0	111.6	K38 L225	G32-K38 PolarHBondContact O-NZ 2.71Å; G32-L225 WeakPolarHBondContact CA-O 3.39Å
33	L	81.6	Confident	89.1	Confident	44 Å²	44	31 Å²	31	23%	0.23	19%	0.186	C	C	.	.			trans	-59.4	158.7	178.6	-64.5	174.5	0	0	0	111.6	G35 A36 K38 E471	L33-G35 PolarHBondContact O-N 2.93Å; L33-A36 WeakPolarHBondContact O-CB 3.48Å; L33-A36 PolarHBondContact O-N 3.08Å; L33-K38 PolarHBondContact O-NZ 3.24Å; L33-E471 HydrophobicContact CD2-CB 4.08Å; L33-E471 HydrophobicContact CD2-CG 3.94Å
34	N	77.8	Confident	89.6	Confident	42 Å²	42	24.4 Å²	24.4	23%	0.225	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	131.7	168.9	-80.6	-30	0	0	0	111.4	A36 N425 D467 D469	N34-A36 VanDerWaalsContact C-N 3.34Å; N34-N425 HydrophobicContact CB-CB 4.03Å; N34-N425 PolarHBondContact ND2-ND2 2.72Å; N34-D467 PolarHBondContact ND2-O 3.08Å; N34-D469 PolarHBondContact N-OD2 3.19Å
35	G	76.2	Confident	89.9	Confident	52 Å²	52	19.8 Å²	19.8	54%	0.536	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	6.7	-173.9	0	0	0	0	0	115.7	L33 G37	L33-G35 PolarHBondContact O-N 2.93Å; G35-G37 PolarHBondContact O-N 3.33Å
36	A	83.5	Confident	90.1	Very high	16 Å²	16	19.8 Å²	19.8	13%	0.132	12%	0.123	C	C	.	.	S	Bend	trans	-69.2	-9.3	174.4	0	0	0	0	0	113.9	L33 N34 L225	L33-A36 WeakPolarHBondContact O-CB 3.48Å; L33-A36 PolarHBondContact O-N 3.08Å; N34-A36 VanDerWaalsContact C-N 3.34Å; A36-L225 HydrophobicContact CB-CB 4.06Å
37	G	87.4	Confident	90	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	13%	0.134	C	C	.	.	S	Bend	trans	97.5	16	178.4	0	0	0	0	0	115.6	G35 T40 L41	G35-G37 PolarHBondContact O-N 3.33Å; G37-T40 CarbonylContact O-C 3.59Å; G37-T40 WeakPolarHBondContact O-CB 3.42Å; G37-T40 PolarHBondContact O-N 3.03Å; G37-L41 WeakPolarHBondContact O-CB 3.15Å; G37-L41 PolarHBondContact O-N 3.18Å
38	K	92.2	Very high	89.7	Confident	14 Å²	14	24.3 Å²	24.3	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-53.3	-58.4	-179.9	-49.5	-169.9	-63.3	-90.2	0	112	V30 G32 L33 T40 L41 L42 I208 L225	V30-K38 HydrophobicContact CG1-CB 4.22Å; V30-K38 HydrophobicContact CG1-CD 4.45Å; V30-K38 HydrophobicContact CG1-CG 4.25Å; G32-K38 PolarHBondContact O-NZ 2.71Å; L33-K38 PolarHBondContact O-NZ 3.24Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.48Å; K38-L41 WeakPolarHBondContact O-CB 3.22Å; K38-L41 PolarHBondContact O-N 2.62Å; K38-L41 VanDerWaalsContact O-N 3.09Å; K38-L42 PolarHBondContact O-N 3.41Å; K38-L42 VanDerWaalsContact O-N 3.14Å; K38-I208 HydrophobicContact CB-CD1 3.46Å; K38-I208 VanDerWaalsContact CB-CD1 3.46Å; K38-I208 HydrophobicContact CB-CG1 3.91Å; K38-I208 HydrophobicContact CB-CG2 4.14Å; K38-I208 HydrophobicContact CD-CG2 3.81Å; K38-I208 VanDerWaalsContact CE-CG2 3.41Å; K38-L225 HydrophobicContact CB-CD1 4.44Å; K38-L225 HydrophobicContact CG-CD1 4.15Å
39	S	91.5	Very high	89.5	Confident	27 Å²	27	25.3 Å²	25.3	19%	0.189	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-35.5	177.6	-49.6	0	0	0	0	112.7	L42 R43 D180	S39-L42 PolarHBondContact O-N 3.43Å; S39-R43 WeakPolarHBondContact O-CG 3.2Å; S39-R43 PolarHBondContact O-N 3.17Å; S39-D180 WeakPolarHBondContact CA-OD2 3.41Å; S39-D180 WeakPolarHBondContact CB-OD2 3.46Å; S39-D180 PolarHBondContact OG-OD1 3.22Å; S39-D180 PolarHBondContact OG-OD2 3.41Å
40	T	91.1	Very high	89.1	Confident	16 Å²	16	33.3 Å²	33.3	10%	0.098	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-41.8	175.5	-55.3	0	0	0	0	111.3	K6 L15 G37 K38 L42 R43 I44	K6-T40 HydrophobicContact CB-CG2 4.49Å; K6-T40 HydrophobicContact CD-CG2 4.47Å; K6-T40 HydrophobicContact CG-CG2 3.91Å; L15-T40 HydrophobicContact CD1-CG2 4.44Å; G37-T40 CarbonylContact O-C 3.59Å; G37-T40 WeakPolarHBondContact O-CB 3.42Å; G37-T40 PolarHBondContact O-N 3.03Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.48Å; T40-L42 PolarHBondContact O-N 2.82Å; T40-R43 PolarHBondContact O-N 2.84Å; T40-R43 PolarHBondContact OG1-NH2 3.3Å; T40-I44 HydrophobicContact CG2-CD1 4.02Å; T40-I44 VanDerWaalsContact O-CG1 3.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.44Å; T40-I44 PolarHBondContact O-N 2.83Å
41	L	93	Very high	88.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-47.5	175.5	179.5	68.6	0	0	0	110.8	M1 L15 I18 L20 G37 K38 R43 I44 M45 L223 L225	M1-L41 HydrophobicContact CE-CD1 3.84Å; M1-L41 HydrophobicContact SD-CD1 4.34Å; L15-L41 HydrophobicContact CD1-CB 4.23Å; L15-L41 HydrophobicContact CD1-CD1 4.29Å; I18-L41 HydrophobicContact CG2-CD1 4.46Å; L20-L41 HydrophobicContact CD1-CD1 4.29Å; L20-L41 HydrophobicContact CD1-CD2 4.39Å; G37-L41 WeakPolarHBondContact O-CB 3.15Å; G37-L41 PolarHBondContact O-N 3.18Å; K38-L41 WeakPolarHBondContact O-CB 3.22Å; K38-L41 PolarHBondContact O-N 2.62Å; K38-L41 VanDerWaalsContact O-N 3.09Å; L41-R43 PolarHBondContact O-N 3.46Å; L41-I44 PolarHBondContact O-N 3.28Å; L41-M45 HydrophobicContact CD1-SD 4.3Å; L41-M45 HydrophobicContact CD2-SD 4.42Å; L41-M45 HydrophobicContact CG-SD 3.9Å; L41-M45 VanDerWaalsContact O-CG 3.29Å; L41-M45 WeakPolarHBondContact O-CG 3.25Å; L41-M45 PolarHBondContact O-N 2.93Å; L41-L223 HydrophobicContact CD2-CD2 3.66Å; L41-L225 HydrophobicContact CB-CD1 4.34Å; L41-L225 HydrophobicContact CD2-CD1 4.1Å; L41-L225 HydrophobicContact CD2-CD2 4.26Å
42	L	94.6	Very high	88.8	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.2	-70.7	177.9	0	0	0	112.2	K38 S39 T40 I44 M45 A46 Y66 L178 D180 V206 I208	K38-L42 PolarHBondContact O-N 3.41Å; K38-L42 VanDerWaalsContact O-N 3.14Å; S39-L42 PolarHBondContact O-N 3.43Å; T40-L42 PolarHBondContact O-N 2.82Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 PolarHBondContact O-N 3.37Å; L42-M45 PolarHBondContact O-N 3.44Å; L42-M45 VanDerWaalsContact O-N 3.15Å; L42-A46 WeakPolarHBondContact O-CB 3.46Å; L42-A46 PolarHBondContact O-N 2.91Å; L42-Y66 HydrophobicContact CB-CD2 4.46Å; L42-Y66 HydrophobicContact CB-CE2 3.83Å; L42-Y66 HydrophobicContact CD1-CE2 4.28Å; L42-L178 HydrophobicContact CD2-CB 3.94Å; L42-L178 HydrophobicContact CD2-CD2 3.92Å; L42-L178 HydrophobicContact CD2-CG 4.42Å; L42-D180 HydrophobicContact CD1-CB 3.72Å; L42-V206 HydrophobicContact CD2-CB 4.24Å; L42-V206 HydrophobicContact CD2-CG1 3.85Å; L42-I208 HydrophobicContact CD1-CD1 3.22Å; L42-I208 HydrophobicContact CD1-CG1 3.73Å; L42-I208 HydrophobicContact CG-CD1 3.77Å; L42-I208 HydrophobicContact CG-CG1 4.24Å
43	R	93.7	Very high	89	Confident	83 Å²	83	45.2 Å²	45.2	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-35.9	177	-72.8	-167.7	-57.3	-90.1	-0.6	112.8	S39 T40 L41 G47 I48 D49 Y66	S39-R43 WeakPolarHBondContact O-CG 3.2Å; S39-R43 PolarHBondContact O-N 3.17Å; T40-R43 PolarHBondContact O-N 2.84Å; T40-R43 PolarHBondContact OG1-NH2 3.3Å; L41-R43 PolarHBondContact O-N 3.46Å; R43-G47 PolarHBondContact O-N 2.89Å; R43-I48 HydrophobicContact CB-CB 4.39Å; R43-I48 PolarHBondContact O-N 3.02Å; R43-D49 HydrophobicContact CB-CB 3.96Å; R43-D49 PolarHBondContact O-N 3.18Å; R43-D49 VanDerWaalsContact O-N 3.1Å; R43-Y66 HydrophobicContact CG-CE1 4.15Å; R43-Y66 WeakPolarHBondContact CG-OH 3.45Å
44	I	92.9	Very high	89.4	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-45.6	174.2	-66.5	163.8	0	0	0	110	M1 V4 K6 L15 T40 L41 L42 A46 G47 D49 I52 A56	M1-I44 HydrophobicContact CE-CG2 3.77Å; V4-I44 HydrophobicContact CG1-CD1 4.34Å; V4-I44 HydrophobicContact CG1-CG2 4.25Å; K6-I44 HydrophobicContact CB-CD1 4.38Å; L15-I44 HydrophobicContact CD1-CD1 3.7Å; T40-I44 HydrophobicContact CG2-CD1 4.02Å; T40-I44 VanDerWaalsContact O-CG1 3.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.44Å; T40-I44 PolarHBondContact O-N 2.83Å; L41-I44 PolarHBondContact O-N 3.28Å; L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 PolarHBondContact O-N 3.37Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.21Å; I44-G47 PolarHBondContact O-N 3.28Å; I44-D49 HydrophobicContact CG1-CB 4.03Å; I44-I52 HydrophobicContact CB-CG2 4.5Å; I44-I52 HydrophobicContact CD1-CG2 3.59Å; I44-I52 HydrophobicContact CG1-CG2 3.63Å; I44-I52 HydrophobicContact CG2-CD1 3.95Å; I44-I52 HydrophobicContact CG2-CG2 4.05Å; I44-A56 HydrophobicContact CG2-CB 3.87Å
45	M	91.6	Very high	89.8	Confident	20 Å²	20	48.2 Å²	48.2	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-36.3	177.9	-69.5	171.8	62.8	0	0	112.4	M1 F22 L41 L42 G47 M176 L178 V206	M1-M45 HydrophobicContact CE-CG 4.44Å; M1-M45 HydrophobicContact SD-CG 3.53Å; M1-M45 VanDerWaalsContact SD-CG 3.53Å; M1-M45 HydrophobicContact SD-SD 4.3Å; F22-M45 HydrophobicContact CD2-CE 4.04Å; F22-M45 HydrophobicContact CE2-CE 3.27Å; F22-M45 HydrophobicContact CE2-SD 4.19Å; F22-M45 HydrophobicContact CZ-CE 3.89Å; F22-M45 HydrophobicContact CZ-SD 4.48Å; L41-M45 HydrophobicContact CD1-SD 4.3Å; L41-M45 HydrophobicContact CD2-SD 4.42Å; L41-M45 HydrophobicContact CG-SD 3.9Å; L41-M45 VanDerWaalsContact O-CG 3.29Å; L41-M45 WeakPolarHBondContact O-CG 3.25Å; L41-M45 PolarHBondContact O-N 2.93Å; L42-M45 PolarHBondContact O-N 3.44Å; L42-M45 VanDerWaalsContact O-N 3.15Å; M45-G47 PolarHBondContact O-N 3.48Å; M45-M176 HydrophobicContact CE-CE 3.5Å; M45-L178 HydrophobicContact CB-CD1 3.76Å; M45-L178 HydrophobicContact CB-CD2 4.31Å; M45-L178 HydrophobicContact CE-CD2 3.76Å; M45-V206 HydrophobicContact CE-CB 4.37Å; M45-V206 HydrophobicContact CE-CG1 4.25Å; M45-V206 HydrophobicContact CE-CG2 3.9Å
46	A	92	Very high	90.4	Very high	27 Å²	27	47.3 Å²	47.3	22%	0.223	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.7	174.3	0	0	0	0	0	113.4	L42 I44 I48 Y66 L178	L42-A46 WeakPolarHBondContact O-CB 3.46Å; L42-A46 PolarHBondContact O-N 2.91Å; I44-A46 VanDerWaalsContact C-N 3.3Å; I44-A46 PolarHBondContact O-N 3.21Å; A46-I48 VanDerWaalsContact C-N 3.25Å; A46-I48 HydrophobicContact CB-CD1 3.94Å; A46-I48 HydrophobicContact CB-CG1 4.04Å; A46-I48 PolarHBondContact O-N 2.99Å; A46-Y66 HydrophobicContact CB-CD1 4.18Å; A46-Y66 HydrophobicContact CB-CD2 4.46Å; A46-Y66 HydrophobicContact CB-CG 3.95Å; A46-L178 HydrophobicContact CB-CD1 3.74Å
47	G	90.2	Very high	90.5	Very high	35 Å²	35	55.4 Å²	55.4	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	14.3	-176.2	0	0	0	0	0	114.6	R43 I44 M45 K50	R43-G47 PolarHBondContact O-N 2.89Å; I44-G47 PolarHBondContact O-N 3.28Å; M45-G47 PolarHBondContact O-N 3.48Å; G47-K50 WeakPolarHBondContact O-CE 3.4Å; G47-K50 WeakPolarHBondContact O-CG 3.39Å
48	I	90.6	Very high	90.4	Very high	103 Å²	103	59.1 Å²	59.1	53%	0.528	31%	0.314	S	S	.	.	S	Bend	trans	-80.9	-50.3	178.4	-64.6	171.2	0	0	0	110.1	R43 A46 K50 Y66	R43-I48 HydrophobicContact CB-CB 4.39Å; R43-I48 PolarHBondContact O-N 3.02Å; A46-I48 VanDerWaalsContact C-N 3.25Å; A46-I48 HydrophobicContact CB-CD1 3.94Å; A46-I48 HydrophobicContact CB-CG1 4.04Å; A46-I48 PolarHBondContact O-N 2.99Å; I48-K50 PolarHBondContact O-N 2.82Å; I48-Y66 HydrophobicContact CD1-CD1 3.29Å; I48-Y66 HydrophobicContact CD1-CE1 3.49Å; I48-Y66 VanDerWaalsContact CD1-CE1 3.49Å; I48-Y66 HydrophobicContact CD1-CG 4.36Å
49	D	89.9	Confident	90.1	Very high	28 Å²	28	64.9 Å²	64.9	15%	0.15	34%	0.342	C	S	.	.			trans	-93.3	101.2	175.8	-169.8	-8.1	0	0	0	109.5	K6 R43 I44 D51	K6-D49 VanDerWaalsContact CE-OD2 3.23Å; K6-D49 WeakPolarHBondContact CE-OD2 3.41Å; K6-D49 VanDerWaalsContact NZ-CG 3.3Å; K6-D49 IonicContact NZ-OD1 2.82Å; K6-D49 PolarHBondContact NZ-OD1 2.97Å; K6-D49 IonicContact NZ-OD2 3.99Å; K6-D49 PolarHBondContact NZ-OD2 2.87Å; R43-D49 HydrophobicContact CB-CB 3.96Å; R43-D49 PolarHBondContact O-N 3.18Å; R43-D49 VanDerWaalsContact O-N 3.1Å; I44-D49 HydrophobicContact CG1-CB 4.03Å; D49-D51 PolarHBondContact OD1-N 2.84Å
50	K	88.7	Confident	89.8	Confident	169 Å²	169	68.7 Å²	68.7	74%	0.735	37%	0.365	S	S	*	.			trans	-98.5	-5.8	-178.2	-59.2	-177.6	-176.2	179.1	0	113.4	G47 I48 I52	G47-K50 WeakPolarHBondContact O-CE 3.4Å; G47-K50 WeakPolarHBondContact O-CG 3.39Å; I48-K50 PolarHBondContact O-N 2.82Å; K50-I52 VanDerWaalsContact C-N 3.27Å; K50-I52 PolarHBondContact O-N 3.03Å
51	D	89.2	Confident	89.6	Confident	118 Å²	118	75.6 Å²	75.6	63%	0.631	40%	0.402	S	S	*	.			trans	-82.4	77.4	179.5	172.7	42.8	0	0	0	109.1	K6 D49	K6-D51 WeakPolarHBondContact CD-O 3.2Å; K6-D51 WeakPolarHBondContact CE-O 3.41Å; K6-D51 PolarHBondContact NZ-O 3.33Å; K6-D51 IonicContact NZ-OD2 3.43Å; K6-D51 PolarHBondContact NZ-OD2 3.34Å; D49-D51 PolarHBondContact OD1-N 2.84Å
52	I	91.2	Very high	89.4	Confident	43 Å²	43	77.9 Å²	77.9	22%	0.221	41%	0.413	C	S	.	.			trans	-131.7	152.9	-174.6	59.9	170.9	0	0	0	111.2	V4 G5 K6 I44 K50 A56	V4-I52 HydrophobicContact CG1-CB 4.34Å; V4-I52 HydrophobicContact CG1-CD1 4.21Å; V4-I52 HydrophobicContact CG1-CG2 4.41Å; V4-I52 HydrophobicContact CG2-CD1 4.33Å; G5-I52 WeakPolarHBondContact O-CA 3.14Å; K6-I52 HydrophobicContact CD-CG2 4.34Å; I44-I52 HydrophobicContact CB-CG2 4.5Å; I44-I52 HydrophobicContact CD1-CG2 3.59Å; I44-I52 HydrophobicContact CG1-CG2 3.63Å; I44-I52 HydrophobicContact CG2-CD1 3.95Å; I44-I52 HydrophobicContact CG2-CG2 4.05Å; K50-I52 VanDerWaalsContact C-N 3.27Å; K50-I52 PolarHBondContact O-N 3.03Å; I52-A56 HydrophobicContact CD1-CB 3.63Å
53	E	90.6	Very high	89.3	Confident	100 Å²	100	84.6 Å²	84.6	47%	0.467	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148.8	160.4	-59.9	173.2	157.9	0	0	108.6	V4 G5 H13	V4-E53 CarbonylContact C-O 3.57Å; V4-E53 VanDerWaalsContact CA-O 3.23Å; V4-E53 WeakPolarHBondContact CA-O 3.3Å; G5-E53 PolarHBondContact N-O 3.28Å; G5-E53 PolarHBondContact O-N 3.09Å; H13-E53 IonicContact CE1-OE2 2.92Å
54	G	89.4	Confident	89.3	Confident	48 Å²	48	83.1 Å²	83.1	50%	0.495	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-156	-179.4	0	0	0	0	0	113.6
55	E	87.2	Confident	89.4	Confident	100 Å²	100	83.1 Å²	83.1	47%	0.467	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.6	-177	-64.4	-167.9	149.5	0	0	112.5	M1 H2 V4 R57	M1-E55 CarbonylContact C-O 3.59Å; M1-E55 WeakPolarHBondContact CA-O 3.48Å; H2-E55 PolarHBondContact N-O 2.7Å; H2-E55 PolarHBondContact O-N 3.48Å; V4-E55 WeakPolarHBondContact CG2-O 3.36Å; E55-R57 IonicContact OE1-CZ 2.87Å; E55-R57 IonicContact OE1-NH2 3.43Å; E55-R57 PolarHBondContact OE1-NH2 2.98Å
56	A	87.8	Confident	89.6	Confident	34 Å²	34	84 Å²	84	28%	0.281	44%	0.444	S	S	.	.			trans	-124.8	109.7	168	0	0	0	0	0	108.5	M1 V4 I44 I52	M1-A56 HydrophobicContact CE-CB 4.42Å; M1-A56 HydrophobicContact CG-CB 3.96Å; V4-A56 HydrophobicContact CG2-CB 4.24Å; I44-A56 HydrophobicContact CG2-CB 3.87Å; I52-A56 HydrophobicContact CD1-CB 3.63Å
57	R	85.5	Confident	89.8	Confident	185 Å²	185	82.9 Å²	82.9	70%	0.698	43%	0.434	S	S	*	.			trans	-128.3	127.9	175.2	-64.8	-174.4	-171.7	153.9	15	108.9	E55	E55-R57 IonicContact OE1-CZ 2.87Å; E55-R57 IonicContact OE1-NH2 3.43Å; E55-R57 PolarHBondContact OE1-NH2 2.98Å
58	P	85.4	Confident	89.9	Confident	84 Å²	84	82.8 Å²	82.8	55%	0.545	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-69.4	160.2	170.5	32.2	-35	0	0	0	109.9	I62 I64	P58-I62 HydrophobicContact CB-CG2 3.73Å; P58-I64 HydrophobicContact CB-CD1 3.76Å
59	Q	85.4	Confident	89.6	Confident	136 Å²	136	81.6 Å²	81.6	64%	0.636	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60.3	143	169	-175.3	172.6	-12.3	0	0	109.2	D61 I62	Q59-D61 PolarHBondContact O-N 3.3Å; Q59-I62 HydrophobicContact CB-CB 4.34Å; Q59-I62 HydrophobicContact CB-CG2 4.32Å; Q59-I62 WeakPolarHBondContact O-CG2 3.39Å; Q59-I62 PolarHBondContact O-N 2.7Å
60	P	85.8	Confident	89.4	Confident	106 Å²	106	87.3 Å²	87.3	69%	0.688	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	141.5	174	-26.1	35.3	0	0	0	111.5	I62	P60-I62 PolarHBondContact O-N 3.31Å; P60-I62 VanDerWaalsContact O-N 3.08Å
61	D	86.3	Confident	89.3	Confident	161 Å²	161	80.1 Å²	80.1	86%	0.861	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	3.7	177.2	-50.3	-43.3	0	0	0	117	Q59 K63	Q59-D61 PolarHBondContact O-N 3.3Å; D61-K63 PolarHBondContact O-N 3.31Å
62	I	89.9	Confident	89.2	Confident	49 Å²	49	83.5 Å²	83.5	25%	0.251	43%	0.428	S	S	.	.			trans	-70.7	127.2	175.7	-161.4	175.5	0	0	0	111.1	P58 Q59 P60 I64 D175 M176	P58-I62 HydrophobicContact CB-CG2 3.73Å; Q59-I62 HydrophobicContact CB-CB 4.34Å; Q59-I62 HydrophobicContact CB-CG2 4.32Å; Q59-I62 WeakPolarHBondContact O-CG2 3.39Å; Q59-I62 PolarHBondContact O-N 2.7Å; P60-I62 PolarHBondContact O-N 3.31Å; P60-I62 VanDerWaalsContact O-N 3.08Å; I62-I64 HydrophobicContact CG2-CD1 4.15Å; I62-I64 HydrophobicContact CG2-CG1 3.98Å; I62-D175 HydrophobicContact CD1-CB 4.37Å; I62-D175 HydrophobicContact CG1-CB 3.63Å; I62-M176 HydrophobicContact CD1-CB 4.31Å
63	K	91.1	Very high	89.3	Confident	142 Å²	142	82.6 Å²	82.6	62%	0.617	42%	0.423	S	S	*	.			trans	-84.2	114	172.3	-65.1	-179.7	-178.7	178.9	0	109.1	D61 P174 D175 M176	D61-K63 PolarHBondContact O-N 3.31Å; K63-P174 HydrophobicContact CB-CB 4.26Å; K63-P174 WeakPolarHBondContact O-CB 3.49Å; K63-D175 WeakPolarHBondContact CB-OD2 3.37Å; K63-D175 PolarHBondContact N-OD2 3.11Å; K63-D175 PolarHBondContact O-N 3.37Å; K63-M176 PolarHBondContact O-N 3.09Å; K63-M176 VanDerWaalsContact O-N 3.15Å
64	I	94.1	Very high	89.4	Confident	53 Å²	53	81 Å²	81	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.5	177.4	-57.2	-178.8	0	0	0	108.9	P58 I62 M176 L178	P58-I64 HydrophobicContact CB-CD1 3.76Å; I62-I64 HydrophobicContact CG2-CD1 4.15Å; I62-I64 HydrophobicContact CG2-CG1 3.98Å; I64-M176 HydrophobicContact CG1-CB 4.38Å; I64-L178 HydrophobicContact CG2-CD1 3.51Å; I64-L178 HydrophobicContact CG2-CG 3.84Å
65	G	94.6	Very high	89.7	Confident	4 Å²	4	81.8 Å²	81.8	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.5	168.1	0	0	0	0	0	111.3	M176 L178	G65-M176 PolarHBondContact N-O 2.85Å; G65-L178 WeakPolarHBondContact O-CB 3.47Å; G65-L178 PolarHBondContact O-N 3.29Å
66	Y	96.1	Very high	90	Very high	40 Å²	40	82.9 Å²	82.9	16%	0.157	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.8	177.8	174.8	-125.9	0	0	0	111.9	L42 R43 A46 I48 P68 L178	L42-Y66 HydrophobicContact CB-CD2 4.46Å; L42-Y66 HydrophobicContact CB-CE2 3.83Å; L42-Y66 HydrophobicContact CD1-CE2 4.28Å; R43-Y66 HydrophobicContact CG-CE1 4.15Å; R43-Y66 WeakPolarHBondContact CG-OH 3.45Å; A46-Y66 HydrophobicContact CB-CD1 4.18Å; A46-Y66 HydrophobicContact CB-CD2 4.46Å; A46-Y66 HydrophobicContact CB-CG 3.95Å; I48-Y66 HydrophobicContact CD1-CD1 3.29Å; I48-Y66 HydrophobicContact CD1-CE1 3.49Å; I48-Y66 VanDerWaalsContact CD1-CE1 3.49Å; I48-Y66 HydrophobicContact CD1-CG 4.36Å; Y66-P68 HydrophobicContact CD1-CB 4.37Å; Y66-P68 HydrophobicContact CE1-CB 3.61Å; Y66-P68 HydrophobicContact CE1-CG 4.29Å; Y66-P68 WeakPolarHBondContact O-CD 3.45Å; Y66-L178 CarbonylContact C-O 3.23Å; Y66-L178 WeakPolarHBondContact CA-O 3.39Å; Y66-L178 HydrophobicContact CD2-CB 3.73Å; Y66-L178 WeakPolarHBondContact CD2-O 3.22Å; Y66-L178 HydrophobicContact CG-CB 4.47Å
67	L	96.1	Very high	90.4	Very high	2 Å²	2	83.6 Å²	83.6	1%	0.01	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	103.9	167.6	-176.4	67.7	0	0	0	109.1	P71 A165 L166 L169 L178 L179 D180 P182	L67-P71 HydrophobicContact CD1-CB 4.33Å; L67-P71 HydrophobicContact CD1-CG 4.35Å; L67-A165 HydrophobicContact CD1-CB 3.85Å; L67-L166 HydrophobicContact CD1-CB 4.48Å; L67-L166 HydrophobicContact CD2-CB 3.92Å; L67-L166 HydrophobicContact CD2-CD1 3.79Å; L67-L166 HydrophobicContact CD2-CG 4.34Å; L67-L169 HydrophobicContact CB-CD2 3.71Å; L67-L178 PolarHBondContact N-O 2.85Å; L67-L179 HydrophobicContact CB-CD2 3.73Å; L67-L179 HydrophobicContact CD2-CD2 4.31Å; L67-D180 WeakPolarHBondContact O-CB 3.14Å; L67-D180 PolarHBondContact O-N 3.45Å; L67-P182 HydrophobicContact CD2-CB 4.1Å
68	P	93.1	Very high	91	Very high	34 Å²	34	76.1 Å²	76.1	22%	0.221	39%	0.392	C	S	.	.			trans	-72.2	165.7	172.9	31.4	-37	0	0	0	112	Y66 E70 P71	Y66-P68 HydrophobicContact CD1-CB 4.37Å; Y66-P68 HydrophobicContact CE1-CB 3.61Å; Y66-P68 HydrophobicContact CE1-CG 4.29Å; Y66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 2.9Å; P68-P71 HydrophobicContact CG-CB 4.16Å
69	Q	85	Confident	91.5	Very high	77 Å²	77	72.1 Å²	72.1	36%	0.36	37%	0.366	S	S	.	.	S	Bend	trans	-60.3	-39	177.3	-166	178.2	4.2	0	0	112.5	R162 D467	Q69-R162 VanDerWaalsContact CA-NH2 3.27Å; Q69-R162 PolarHBondContact O-NE 2.86Å; Q69-R162 PolarHBondContact O-NH2 2.99Å; Q69-R162 VanDerWaalsContact O-NH2 3.14Å; Q69-D467 PolarHBondContact NE2-OD1 3.44Å
70	E	84	Confident	92	Very high	149 Å²	149	68.8 Å²	68.8	70%	0.696	35%	0.347	S	S	*	.	S	Bend	trans	-119.8	91.4	174.7	-67.9	-176.6	176	0	0	109.3	P68	P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 2.9Å
71	P	87	Confident	92.4	Very high	17 Å²	17	68.1 Å²	68.1	11%	0.11	34%	0.335	C	S	.	.			trans	-71.3	140.7	-177.9	23.5	-27.3	0	0	0	112.4	L67 P68 R162 A165	L67-P71 HydrophobicContact CD1-CB 4.33Å; L67-P71 HydrophobicContact CD1-CG 4.35Å; P68-P71 HydrophobicContact CG-CB 4.16Å; P71-R162 HydrophobicContact CG-CB 4.06Å; P71-R162 HydrophobicContact CG-CG 4.39Å; P71-A165 HydrophobicContact CB-CB 3.41Å; P71-A165 VanDerWaalsContact CB-CB 3.41Å; P71-A165 HydrophobicContact CG-CB 3.62Å
72	Q	87.1	Confident	92.8	Very high	190 Å²	190	60.5 Å²	60.5	89%	0.888	29%	0.294	S	S	*	.			trans	-99.5	114.7	175.3	-62.3	-175.6	13.9	0	0	108.5
73	L	92.7	Very high	93	Very high	23 Å²	23	58.2 Å²	58.2	12%	0.12	28%	0.283	C	S	.	.			trans	-113.8	155.2	172.3	-65.2	176.2	0	0	0	108.3	P75 I153 R161 V164 A165	L73-P75 VanDerWaalsContact O-CD 3.29Å; L73-P75 WeakPolarHBondContact O-CD 3.29Å; L73-I153 HydrophobicContact CB-CG2 3.66Å; L73-I153 HydrophobicContact CD1-CD1 4.08Å; L73-I153 HydrophobicContact CD1-CG2 4.47Å; L73-R161 HydrophobicContact CD1-CB 4.45Å; L73-R161 WeakPolarHBondContact CD1-O 3.31Å; L73-V164 HydrophobicContact CD1-CB 3.82Å; L73-V164 HydrophobicContact CD1-CG1 3.66Å; L73-A165 HydrophobicContact CD1-CB 4.2Å; L73-A165 HydrophobicContact CD2-CB 4.1Å; L73-A165 HydrophobicContact CG-CB 4.27Å
74	N	94.7	Very high	93.1	Very high	67 Å²	67	53.9 Å²	53.9	36%	0.358	26%	0.264	S	S	.	.			trans	-64.8	116.1	177.4	-174.3	-9.7	0	0	0	109.8	E76 H77 I153	N74-E76 PolarHBondContact O-N 3Å; N74-E76 PolarHBondContact OD1-N 2.95Å; N74-H77 HydrophobicContact CB-CB 4.32Å; N74-H77 PolarHBondContact ND2-CD2 3.06Å; N74-H77 VanDerWaalsContact ND2-CD2 3.29Å; N74-H77 PolarHBondContact ND2-CE1 2.68Å; N74-H77 VanDerWaalsContact ND2-CE1 3.33Å; N74-H77 PolarHBondContact ND2-NE2 3.16Å; N74-H77 PolarHBondContact O-N 3.43Å; N74-I153 WeakPolarHBondContact O-CB 3.46Å
75	P	93.7	Very high	92.9	Very high	65 Å²	65	54.4 Å²	54.4	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.8	-175.6	25.3	-35.2	0	0	0	113.5	L73 H77 A154	L73-P75 VanDerWaalsContact O-CD 3.29Å; L73-P75 WeakPolarHBondContact O-CD 3.29Å; P75-H77 VanDerWaalsContact C-N 3.34Å; P75-A154 HydrophobicContact CB-CB 3.99Å; P75-A154 WeakPolarHBondContact O-CB 3.08Å; P75-A154 PolarHBondContact O-N 3.01Å; P75-A154 VanDerWaalsContact O-N 3.08Å
76	E	95.1	Very high	92.5	Very high	122 Å²	122	55.1 Å²	55.1	57%	0.57	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-21.7	-177.8	-67.4	-51.6	133.8	0	0	113.7	N74 K152	N74-E76 PolarHBondContact O-N 3Å; N74-E76 PolarHBondContact OD1-N 2.95Å; E76-K152 IonicContact OE2-NZ 2.63Å; E76-K152 PolarHBondContact OE2-NZ 2.79Å
77	H	96.5	Very high	92.2	Very high	50 Å²	50	54 Å²	54	23%	0.231	27%	0.269	C	S	.	.	S	Bend	trans	-75.2	156.3	-178.3	-69.9	-174.7	0	0	0	111.4	N74 P75 E81 S82 E85 I153	N74-H77 HydrophobicContact CB-CB 4.32Å; N74-H77 PolarHBondContact ND2-CD2 3.06Å; N74-H77 VanDerWaalsContact ND2-CD2 3.29Å; N74-H77 PolarHBondContact ND2-CE1 2.68Å; N74-H77 VanDerWaalsContact ND2-CE1 3.33Å; N74-H77 PolarHBondContact ND2-NE2 3.16Å; N74-H77 PolarHBondContact O-N 3.43Å; P75-H77 VanDerWaalsContact C-N 3.34Å; H77-E81 WeakPolarHBondContact CA-OE2 3.36Å; H77-E81 HydrophobicContact CB-CB 4.04Å; H77-S82 WeakPolarHBondContact CB-OG 3.4Å; H77-E85 IonicContact CE1-OE1 3.82Å; H77-E85 PolarHBondContact CE1-OE1 3.23Å; H77-E85 IonicContact ND1-OE1 2.89Å; H77-E85 PolarHBondContact ND1-OE1 3.36Å; H77-I153 WeakPolarHBondContact O-CG1 3.45Å; H77-I153 PolarHBondContact O-N 2.96Å
78	T	97.4	Very high	91.9	Very high	28 Å²	28	56.5 Å²	56.5	17%	0.172	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-77.9	166	162.5	60.3	0	0	0	0	110.4	R80 E81 S82 W149 A151	T78-R80 PolarHBondContact O-N 2.93Å; T78-E81 PolarHBondContact N-OE2 2.61Å; T78-E81 PolarHBondContact O-N 3.04Å; T78-E81 WeakPolarHBondContact OG1-CB 3.31Å; T78-E81 VanDerWaalsContact OG1-CD 3.28Å; T78-E81 VanDerWaalsContact OG1-CG 3.25Å; T78-E81 WeakPolarHBondContact OG1-CG 3.31Å; T78-E81 PolarHBondContact OG1-N 3.07Å; T78-E81 PolarHBondContact OG1-OE2 3.12Å; T78-S82 WeakPolarHBondContact O-CB 3.45Å; T78-S82 PolarHBondContact O-N 2.89Å; T78-S82 PolarHBondContact O-OG 3.38Å; T78-W149 WeakPolarHBondContact CB-O 3.49Å; T78-A151 CarbonylContact C-O 3.54Å; T78-A151 VanDerWaalsContact CA-O 3.28Å; T78-A151 WeakPolarHBondContact CA-O 3.36Å
79	V	96	Very high	91.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.6	-44.9	171	173.4	0	0	0	0	110.1	S82 I83 L146 P147 W149 A151 I153 L156 V164	V79-S82 PolarHBondContact O-N 2.64Å; V79-I83 HydrophobicContact CG1-CG1 4.37Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 2.9Å; V79-L146 HydrophobicContact CG1-CB 4.44Å; V79-L146 HydrophobicContact CG1-CD1 4.19Å; V79-P147 HydrophobicContact CG2-CB 4.14Å; V79-P147 HydrophobicContact CG2-CG 4.35Å; V79-W149 HydrophobicContact CB-CE3 4.49Å; V79-W149 HydrophobicContact CG1-CE3 3.88Å; V79-W149 HydrophobicContact CG1-CZ3 4.11Å; V79-W149 PolarHBondContact N-O 3.08Å; V79-A151 HydrophobicContact CG2-CB 4.17Å; V79-A151 PolarHBondContact N-O 2.89Å; V79-I153 HydrophobicContact CG2-CD1 4.25Å; V79-L156 HydrophobicContact CG2-CD1 4.02Å; V79-V164 HydrophobicContact CG1-CG1 4.39Å; V79-V164 HydrophobicContact CG1-CG2 4Å; V79-V164 HydrophobicContact CG2-CG2 4.08Å
80	R	95.1	Very high	92	Very high	66 Å²	66	56.7 Å²	56.7	25%	0.249	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-48.9	-178	-173.3	145.1	180	143.2	7	112.9	T78 S82 I83 E84 N134 W149	T78-R80 PolarHBondContact O-N 2.93Å; R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 2.9Å; R80-I83 PolarHBondContact O-N 3.29Å; R80-I83 VanDerWaalsContact O-N 3.12Å; R80-E84 HydrophobicContact CG-CG 4.16Å; R80-E84 IonicContact CZ-OE1 3.98Å; R80-E84 VanDerWaalsContact CZ-OE1 3.27Å; R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 PolarHBondContact NE-OE1 2.94Å; R80-E84 IonicContact NH2-OE1 2.74Å; R80-E84 PolarHBondContact NH2-OE1 2.79Å; R80-E84 WeakPolarHBondContact O-CB 3.43Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.32Å; R80-N134 PolarHBondContact NH2-OD1 3.46Å; R80-W149 HydrophobicContact CB-CB 4.09Å; R80-W149 HydrophobicContact CB-CD2 4.26Å; R80-W149 HydrophobicContact CB-CE3 3.61Å; R80-W149 HydrophobicContact CB-CZ3 4.34Å; R80-W149 WeakPolarHBondContact CB-O 3.36Å; R80-W149 HydrophobicContact CG-CE3 4.06Å; R80-W149 PolarHBondContact N-O 3.34Å
81	E	95.2	Very high	92.3	Very high	92 Å²	92	51.3 Å²	51.3	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-57.6	-42.5	176.7	-72.3	162.7	155.7	0	0	111.2	H77 T78 I83 E84 E85	H77-E81 WeakPolarHBondContact CA-OE2 3.36Å; H77-E81 HydrophobicContact CB-CB 4.04Å; T78-E81 PolarHBondContact N-OE2 2.61Å; T78-E81 PolarHBondContact O-N 3.04Å; T78-E81 WeakPolarHBondContact OG1-CB 3.31Å; T78-E81 VanDerWaalsContact OG1-CD 3.28Å; T78-E81 VanDerWaalsContact OG1-CG 3.25Å; T78-E81 WeakPolarHBondContact OG1-CG 3.31Å; T78-E81 PolarHBondContact OG1-N 3.07Å; T78-E81 PolarHBondContact OG1-OE2 3.12Å; E81-I83 VanDerWaalsContact C-N 3.29Å; E81-I83 PolarHBondContact O-N 3.25Å; E81-E84 PolarHBondContact O-N 3.33Å; E81-E85 WeakPolarHBondContact O-CG 3.44Å; E81-E85 PolarHBondContact O-N 3.08Å; E81-E85 VanDerWaalsContact O-N 3.12Å
82	S	94.8	Very high	92.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-32.6	178.9	-58.7	0	0	0	0	113.5	H77 T78 V79 R80 I153 R168	H77-S82 WeakPolarHBondContact CB-OG 3.4Å; T78-S82 WeakPolarHBondContact O-CB 3.45Å; T78-S82 PolarHBondContact O-N 2.89Å; T78-S82 PolarHBondContact O-OG 3.38Å; V79-S82 PolarHBondContact O-N 2.64Å; R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 2.9Å; S82-I153 VanDerWaalsContact OG-CG1 3.3Å; S82-I153 WeakPolarHBondContact OG-CG1 3.47Å; S82-R168 WeakPolarHBondContact O-CD 3.25Å
83	I	94.1	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-81.5	-42.3	177.8	-66.9	-66	0	0	0	110.8	V79 R80 E81 E85 A86 L137 L146 W149 V164 C167 R168 L171	V79-I83 HydrophobicContact CG1-CG1 4.37Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 2.9Å; R80-I83 PolarHBondContact O-N 3.29Å; R80-I83 VanDerWaalsContact O-N 3.12Å; E81-I83 VanDerWaalsContact C-N 3.29Å; E81-I83 PolarHBondContact O-N 3.25Å; I83-E85 PolarHBondContact O-N 2.97Å; I83-A86 WeakPolarHBondContact O-CB 3.22Å; I83-A86 PolarHBondContact O-N 3.12Å; I83-A86 VanDerWaalsContact O-N 3.07Å; I83-L137 HydrophobicContact CG2-CD2 3.68Å; I83-L146 HydrophobicContact CD1-CD1 4.06Å; I83-L146 HydrophobicContact CG1-CD1 4.21Å; I83-W149 HydrophobicContact CB-CZ3 4.05Å; I83-W149 HydrophobicContact CG1-CZ3 3.95Å; I83-W149 HydrophobicContact CG2-CH2 4.34Å; I83-W149 HydrophobicContact CG2-CZ3 4.23Å; I83-V164 HydrophobicContact CD1-CG1 4.02Å; I83-V164 WeakPolarHBondContact CD1-O 3.48Å; I83-V164 HydrophobicContact CG1-CG1 4.27Å; I83-C167 HydrophobicContact CD1-CB 3.73Å; I83-R168 HydrophobicContact CD1-CB 3.96Å; I83-L171 HydrophobicContact CG2-CD1 3.54Å
84	E	92.5	Very high	93	Very high	51 Å²	51	47.3 Å²	47.3	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-24.6	179.6	-75.6	-179.6	171.2	0	0	112.5	R80 E81 A86 V87 S88 V91 L137	R80-E84 HydrophobicContact CG-CG 4.16Å; R80-E84 IonicContact CZ-OE1 3.98Å; R80-E84 VanDerWaalsContact CZ-OE1 3.27Å; R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 PolarHBondContact NE-OE1 2.94Å; R80-E84 IonicContact NH2-OE1 2.74Å; R80-E84 PolarHBondContact NH2-OE1 2.79Å; R80-E84 WeakPolarHBondContact O-CB 3.43Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.32Å; E81-E84 PolarHBondContact O-N 3.33Å; E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.02Å; E84-V87 CarbonylContact O-C 3.53Å; E84-V87 VanDerWaalsContact O-C 3.32Å; E84-V87 WeakPolarHBondContact O-CG2 3.36Å; E84-V87 PolarHBondContact O-N 2.75Å; E84-V87 VanDerWaalsContact O-N 3.12Å; E84-S88 WeakPolarHBondContact O-CA 3.39Å; E84-S88 PolarHBondContact O-N 3.34Å; E84-V91 HydrophobicContact CB-CG2 4.36Å; E84-V91 HydrophobicContact CG-CG2 4.4Å; E84-L137 HydrophobicContact CG-CD1 4.11Å
85	E	89.7	Confident	92.9	Very high	65 Å²	65	50.4 Å²	50.4	30%	0.304	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-53.9	-40	168.7	-82.7	177.1	-148.1	0	0	113.5	H77 E81 I83 V87 S88 R168	H77-E85 IonicContact CE1-OE1 3.82Å; H77-E85 PolarHBondContact CE1-OE1 3.23Å; H77-E85 IonicContact ND1-OE1 2.89Å; H77-E85 PolarHBondContact ND1-OE1 3.36Å; E81-E85 WeakPolarHBondContact O-CG 3.44Å; E81-E85 PolarHBondContact O-N 3.08Å; E81-E85 VanDerWaalsContact O-N 3.12Å; I83-E85 PolarHBondContact O-N 2.97Å; E85-V87 PolarHBondContact O-N 3.22Å; E85-S88 VanDerWaalsContact O-CB 3.29Å; E85-S88 WeakPolarHBondContact O-CB 3.37Å; E85-S88 PolarHBondContact O-N 3.11Å; E85-S88 PolarHBondContact O-OG 3.38Å; E85-R168 IonicContact OE2-CZ 3.11Å; E85-R168 IonicContact OE2-NH1 2.88Å; E85-R168 PolarHBondContact OE2-NH1 3.3Å; E85-R168 IonicContact OE2-NH2 3.96Å; E85-R168 PolarHBondContact OE2-NH2 2.93Å
86	A	87.2	Confident	93	Very high	19 Å²	19	51 Å²	51	16%	0.157	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-63.9	-28.7	179.3	0	0	0	0	0	113	I83 E84 R168 L171 E172	I83-A86 WeakPolarHBondContact O-CB 3.22Å; I83-A86 PolarHBondContact O-N 3.12Å; I83-A86 VanDerWaalsContact O-N 3.07Å; E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.02Å; A86-R168 HydrophobicContact CB-CG 3.64Å; A86-R168 WeakPolarHBondContact CB-O 3.46Å; A86-L171 HydrophobicContact CB-CB 4.34Å; A86-E172 HydrophobicContact CB-CG 3.35Å
87	V	88.9	Confident	93	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-114.8	23	-176.7	-67.8	0	0	0	0	111.1	E84 E85 E89 V90 V91 L133 L137 L171	E84-V87 CarbonylContact O-C 3.53Å; E84-V87 VanDerWaalsContact O-C 3.32Å; E84-V87 WeakPolarHBondContact O-CG2 3.36Å; E84-V87 PolarHBondContact O-N 2.75Å; E84-V87 VanDerWaalsContact O-N 3.12Å; E85-V87 PolarHBondContact O-N 3.22Å; V87-E89 VanDerWaalsContact C-N 3.25Å; V87-E89 PolarHBondContact O-N 3.34Å; V87-V90 PolarHBondContact O-N 3.45Å; V87-V91 HydrophobicContact CG2-CG2 3.9Å; V87-V91 WeakPolarHBondContact O-CG2 3.13Å; V87-V91 PolarHBondContact O-N 3.06Å; V87-L133 HydrophobicContact CB-CD1 4.12Å; V87-L133 HydrophobicContact CG1-CD1 4.14Å; V87-L133 HydrophobicContact CG2-CD1 4.08Å; V87-L133 HydrophobicContact CG2-CD2 4.22Å; V87-L137 HydrophobicContact CG2-CD2 4.41Å; V87-L171 HydrophobicContact CG1-CB 4.23Å
88	S	89.2	Confident	92.9	Very high	54 Å²	54	48.4 Å²	48.4	38%	0.378	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-32.8	-171.6	52.9	0	0	0	0	113	E84 E85 V90 V91 N92	E84-S88 WeakPolarHBondContact O-CA 3.39Å; E84-S88 PolarHBondContact O-N 3.34Å; E85-S88 VanDerWaalsContact O-CB 3.29Å; E85-S88 WeakPolarHBondContact O-CB 3.37Å; E85-S88 PolarHBondContact O-N 3.11Å; E85-S88 PolarHBondContact O-OG 3.38Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.04Å; S88-V91 PolarHBondContact O-N 3.2Å; S88-N92 WeakPolarHBondContact O-CB 3.47Å; S88-N92 PolarHBondContact O-N 2.85Å; S88-N92 PolarHBondContact O-ND2 3.39Å
89	E	90.1	Very high	92.8	Very high	111 Å²	111	51 Å²	51	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-46.9	174.4	-175	171.6	-165.3	0	0	111.5	V87 A93 I124	V87-E89 VanDerWaalsContact C-N 3.25Å; V87-E89 PolarHBondContact O-N 3.34Å; E89-A93 VanDerWaalsContact O-CB 3.29Å; E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.25Å; E89-I124 HydrophobicContact CG-CG2 3.95Å
90	V	90.3	Very high	92.7	Very high	5 Å²	5	51 Å²	51	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-74.7	-41.5	-179.2	-174.5	0	0	0	0	111.4	V87 S88 N92 A93 L94 H128 G130 L133	V87-V90 PolarHBondContact O-N 3.45Å; S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.04Å; V90-N92 VanDerWaalsContact C-N 3.35Å; V90-A93 PolarHBondContact O-N 3.23Å; V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 WeakPolarHBondContact O-CG 3.09Å; V90-L94 PolarHBondContact O-N 2.92Å; V90-H128 HydrophobicContact CB-CB 4.45Å; V90-H128 HydrophobicContact CG1-CB 4.28Å; V90-H128 HydrophobicContact CG2-CB 3.3Å; V90-G130 VanDerWaalsContact CG1-CA 3.48Å; V90-L133 HydrophobicContact CG1-CD2 4.25Å
91	V	90.9	Very high	92.6	Very high	35 Å²	35	52.8 Å²	52.8	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176.8	173.2	0	0	0	0	110.5	E84 V87 S88 A93 L94 K95 L133	E84-V91 HydrophobicContact CB-CG2 4.36Å; E84-V91 HydrophobicContact CG-CG2 4.4Å; V87-V91 HydrophobicContact CG2-CG2 3.9Å; V87-V91 WeakPolarHBondContact O-CG2 3.13Å; V87-V91 PolarHBondContact O-N 3.06Å; S88-V91 PolarHBondContact O-N 3.2Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-L94 PolarHBondContact O-N 3.02Å; V91-K95 WeakPolarHBondContact O-CB 3.5Å; V91-K95 PolarHBondContact O-N 2.98Å; V91-L133 HydrophobicContact CG2-CD2 3.58Å
92	N	93.7	Very high	92.6	Very high	99 Å²	99	51.7 Å²	51.7	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-37.8	176.7	-70	-29.8	0	0	0	111.1	S88 V90 R96	S88-N92 WeakPolarHBondContact O-CB 3.47Å; S88-N92 PolarHBondContact O-N 2.85Å; S88-N92 PolarHBondContact O-ND2 3.39Å; V90-N92 VanDerWaalsContact C-N 3.35Å; N92-R96 WeakPolarHBondContact O-CB 3.32Å; N92-R96 PolarHBondContact O-N 2.83Å
93	A	94.1	Very high	92.5	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.6	177	0	0	0	0	0	112.3	E89 V90 V91 R96 L97 L121 I124 I125	E89-A93 VanDerWaalsContact O-CB 3.29Å; E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.25Å; V90-A93 PolarHBondContact O-N 3.23Å; V91-A93 VanDerWaalsContact C-N 3.33Å; A93-R96 PolarHBondContact O-N 2.93Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.23Å; A93-L121 HydrophobicContact CB-CD2 4.03Å; A93-I124 HydrophobicContact CB-CB 4.21Å; A93-I124 HydrophobicContact CB-CG2 3.8Å; A93-I125 HydrophobicContact CB-CD1 4.35Å; A93-I125 HydrophobicContact CB-CG1 3.92Å
94	L	93.4	Very high	92.5	Very high	44 Å²	44	58.3 Å²	58.3	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-50.6	175.5	-74	165.7	0	0	0	111.7	V90 V91 R96 L97 D98 I125 L133	V90-L94 HydrophobicContact CG1-CD1 4.31Å; V90-L94 WeakPolarHBondContact O-CG 3.09Å; V90-L94 PolarHBondContact O-N 2.92Å; V91-L94 PolarHBondContact O-N 3.02Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.94Å; L94-L97 WeakPolarHBondContact O-CB 3.43Å; L94-L97 PolarHBondContact O-N 3.43Å; L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.1Å; L94-I125 HydrophobicContact CD2-CD1 3.82Å; L94-I125 HydrophobicContact CD2-CG1 3.99Å; L94-I125 HydrophobicContact CD2-CG2 3.99Å; L94-I125 HydrophobicContact CG-CD1 4.21Å; L94-I125 HydrophobicContact CG-CG1 4.1Å; L94-L133 HydrophobicContact CD1-CD2 4.35Å
95	K	93.8	Very high	92.4	Very high	132 Å²	132	60 Å²	60	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-42.6	179.4	-178.8	178.1	176	-176.7	0	111.7	V91 L97 D98 E99	V91-K95 WeakPolarHBondContact O-CB 3.5Å; V91-K95 PolarHBondContact O-N 2.98Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-D98 PolarHBondContact O-N 3.18Å; K95-E99 WeakPolarHBondContact O-CG 3.49Å; K95-E99 PolarHBondContact O-N 3.28Å
96	R	96	Very high	92.5	Very high	79 Å²	79	60.6 Å²	60.6	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-34	178.8	-175.2	61.3	-177.8	147.8	12	111.7	N92 A93 L94 E99 V100 E117 L121	N92-R96 WeakPolarHBondContact O-CB 3.32Å; N92-R96 PolarHBondContact O-N 2.83Å; A93-R96 PolarHBondContact O-N 2.93Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.94Å; R96-E99 VanDerWaalsContact CD-OE2 3.31Å; R96-E99 WeakPolarHBondContact CD-OE2 3.45Å; R96-E99 IonicContact CZ-OE2 3.31Å; R96-E99 IonicContact NE-OE2 2.99Å; R96-E99 IonicContact NH1-OE2 3.09Å; R96-E99 PolarHBondContact NH1-OE2 3.2Å; R96-E99 WeakPolarHBondContact O-CB 3.4Å; R96-E99 PolarHBondContact O-N 2.74Å; R96-V100 WeakPolarHBondContact O-CG2 3.42Å; R96-V100 PolarHBondContact O-N 2.99Å; R96-E117 IonicContact CZ-OE1 2.84Å; R96-E117 VanDerWaalsContact CZ-OE1 3.31Å; R96-E117 IonicContact NE-OE1 3.44Å; R96-E117 PolarHBondContact NE-OE1 3.43Å; R96-E117 IonicContact NH2-OE1 3.88Å; R96-E117 PolarHBondContact NH2-OE1 2.88Å; R96-E117 IonicContact NH2-OE2 3.18Å; R96-E117 PolarHBondContact NH2-OE2 3.05Å; R96-E117 VanDerWaalsContact NH2-OE2 3.09Å; R96-L121 HydrophobicContact CB-CD1 4.07Å; R96-L121 HydrophobicContact CB-CD2 4.04Å; R96-L121 HydrophobicContact CG-CD1 3.7Å; R96-L121 HydrophobicContact CG-CD2 4.05Å
97	L	94.7	Very high	92.5	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.3	-177.5	63.8	0	0	0	111.3	A93 L94 K95 E99 V100 Y101 Q118 L121 E122 I125	A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.45Å; A93-L97 PolarHBondContact O-N 3.23Å; L94-L97 WeakPolarHBondContact O-CB 3.43Å; L94-L97 PolarHBondContact O-N 3.43Å; K95-L97 VanDerWaalsContact C-N 3.32Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.39Å; L97-V100 WeakPolarHBondContact O-CB 2.97Å; L97-V100 PolarHBondContact O-N 3.39Å; L97-Y101 HydrophobicContact CD1-CE1 4.15Å; L97-Y101 HydrophobicContact CD1-CE2 3.93Å; L97-Y101 HydrophobicContact CD2-CE2 3.94Å; L97-Y101 HydrophobicContact CG-CD2 4.14Å; L97-Y101 HydrophobicContact CG-CE2 3.55Å; L97-Y101 WeakPolarHBondContact O-CD2 3.21Å; L97-Y101 PolarHBondContact O-N 3.37Å; L97-Q118 HydrophobicContact CD1-CB 4.42Å; L97-Q118 HydrophobicContact CD1-CG 3.81Å; L97-L121 HydrophobicContact CB-CB 4.46Å; L97-L121 HydrophobicContact CB-CD1 4.34Å; L97-L121 HydrophobicContact CD1-CB 4.46Å; L97-E122 HydrophobicContact CD1-CG 4.35Å; L97-E122 HydrophobicContact CD2-CG 4.27Å; L97-I125 HydrophobicContact CB-CD1 4.23Å; L97-I125 HydrophobicContact CD2-CD1 3.55Å
98	D	93.8	Very high	92.6	Very high	110 Å²	110	71.2 Å²	71.2	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-39.9	173.9	-71.4	-25.6	0	0	0	112	L94 K95 Y101 A102	L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.1Å; K95-D98 PolarHBondContact O-N 3.18Å; D98-Y101 PolarHBondContact O-N 3.19Å; D98-A102 PolarHBondContact O-N 2.94Å
99	E	95.4	Very high	92.6	Very high	82 Å²	82	69.6 Å²	69.6	38%	0.383	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-41.9	173.6	-68.2	171.9	-171.3	0	0	111.9	K95 R96 L97 Y101 A102 L103	K95-E99 WeakPolarHBondContact O-CG 3.49Å; K95-E99 PolarHBondContact O-N 3.28Å; R96-E99 VanDerWaalsContact CD-OE2 3.31Å; R96-E99 WeakPolarHBondContact CD-OE2 3.45Å; R96-E99 IonicContact CZ-OE2 3.31Å; R96-E99 IonicContact NE-OE2 2.99Å; R96-E99 IonicContact NH1-OE2 3.09Å; R96-E99 PolarHBondContact NH1-OE2 3.2Å; R96-E99 WeakPolarHBondContact O-CB 3.4Å; R96-E99 PolarHBondContact O-N 2.74Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.39Å; E99-Y101 VanDerWaalsContact C-N 3.33Å; E99-Y101 PolarHBondContact O-N 3.03Å; E99-A102 PolarHBondContact O-N 3.44Å; E99-L103 VanDerWaalsContact O-CG 3.31Å; E99-L103 WeakPolarHBondContact O-CG 3.4Å; E99-L103 PolarHBondContact O-N 2.76Å
100	V	94	Very high	92.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175.5	166.9	0	0	0	0	110.6	R96 L97 A102 L103 Y104 L114 E117 Q118 L121	R96-V100 WeakPolarHBondContact O-CG2 3.42Å; R96-V100 PolarHBondContact O-N 2.99Å; L97-V100 WeakPolarHBondContact O-CB 2.97Å; L97-V100 PolarHBondContact O-N 3.39Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.15Å; V100-L103 PolarHBondContact O-N 2.8Å; V100-Y104 HydrophobicContact CG1-CD2 4.14Å; V100-Y104 HydrophobicContact CG1-CE2 3.73Å; V100-Y104 VanDerWaalsContact O-CD2 3.23Å; V100-Y104 WeakPolarHBondContact O-CD2 3.34Å; V100-Y104 PolarHBondContact O-N 3.06Å; V100-Y104 VanDerWaalsContact O-N 3.11Å; V100-L114 HydrophobicContact CG1-CB 4.31Å; V100-L114 HydrophobicContact CG1-CD2 4.22Å; V100-L114 HydrophobicContact CG2-CD2 4.41Å; V100-E117 HydrophobicContact CG2-CG 4.3Å; V100-Q118 HydrophobicContact CG1-CB 4.16Å; V100-L121 HydrophobicContact CG2-CD1 4.09Å
101	Y	93.1	Very high	92.7	Very high	103 Å²	103	73.2 Å²	73.2	40%	0.404	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-37.7	173.7	-68.2	-34.9	0	0	0	113.5	L97 D98 E99 Y104 Q118 E122	L97-Y101 HydrophobicContact CD1-CE1 4.15Å; L97-Y101 HydrophobicContact CD1-CE2 3.93Å; L97-Y101 HydrophobicContact CD2-CE2 3.94Å; L97-Y101 HydrophobicContact CG-CD2 4.14Å; L97-Y101 HydrophobicContact CG-CE2 3.55Å; L97-Y101 WeakPolarHBondContact O-CD2 3.21Å; L97-Y101 PolarHBondContact O-N 3.37Å; D98-Y101 PolarHBondContact O-N 3.19Å; E99-Y101 VanDerWaalsContact C-N 3.33Å; E99-Y101 PolarHBondContact O-N 3.03Å; Y101-Y104 HydrophobicContact CD1-CD2 4.2Å; Y101-Y104 HydrophobicContact CD1-CE2 4.41Å; Y101-Y104 PolarHBondContact O-N 3.16Å; Y101-Q118 HydrophobicContact CE1-CG 4.48Å; Y101-E122 PolarHBondContact OH-OE1 3.19Å
102	A	94.1	Very high	92.8	Very high	69 Å²	69	78.2 Å²	78.2	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-66.5	-38.2	173.4	0	0	0	0	0	112.1	D98 E99 V100 Y104 A105	D98-A102 PolarHBondContact O-N 2.94Å; E99-A102 PolarHBondContact O-N 3.44Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.15Å; A102-Y104 VanDerWaalsContact C-N 3.32Å; A102-Y104 PolarHBondContact O-N 3.43Å; A102-A105 WeakPolarHBondContact O-CB 3.25Å; A102-A105 PolarHBondContact O-N 2.96Å
103	L	94.3	Very high	92.8	Very high	73 Å²	73	80 Å²	80	38%	0.382	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-28.7	178.9	-71.3	169.8	0	0	0	113.1	E99 V100 A105 D106 L114	E99-L103 VanDerWaalsContact O-CG 3.31Å; E99-L103 WeakPolarHBondContact O-CG 3.4Å; E99-L103 PolarHBondContact O-N 2.76Å; V100-L103 PolarHBondContact O-N 2.8Å; L103-A105 PolarHBondContact O-N 3.03Å; L103-A105 VanDerWaalsContact O-N 3.11Å; L103-D106 WeakPolarHBondContact O-CB 3.2Å; L103-D106 PolarHBondContact O-N 3.26Å; L103-L114 HydrophobicContact CB-CD1 3.89Å; L103-L114 HydrophobicContact CB-CD2 3.97Å; L103-L114 HydrophobicContact CD1-CD2 3.91Å
104	Y	92.6	Very high	92.7	Very high	67 Å²	67	80.4 Å²	80.4	26%	0.263	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.9	173.2	-84.8	-66.1	0	0	0	114	V100 Y101 A102 D106 F111 L114 A115 Q118	V100-Y104 HydrophobicContact CG1-CD2 4.14Å; V100-Y104 HydrophobicContact CG1-CE2 3.73Å; V100-Y104 VanDerWaalsContact O-CD2 3.23Å; V100-Y104 WeakPolarHBondContact O-CD2 3.34Å; V100-Y104 PolarHBondContact O-N 3.06Å; V100-Y104 VanDerWaalsContact O-N 3.11Å; Y101-Y104 HydrophobicContact CD1-CD2 4.2Å; Y101-Y104 HydrophobicContact CD1-CE2 4.41Å; Y101-Y104 PolarHBondContact O-N 3.16Å; A102-Y104 VanDerWaalsContact C-N 3.32Å; A102-Y104 PolarHBondContact O-N 3.43Å; Y104-D106 VanDerWaalsContact C-N 3.28Å; Y104-F111 AromaticContact CD1-CD1 3.68Å; Y104-F111 HydrophobicContact CD1-CD1 3.68Å; Y104-F111 HydrophobicContact CD1-CE1 4.02Å; Y104-F111 AromaticContact CE1-CD1 3.94Å; Y104-F111 HydrophobicContact CE1-CD1 3.94Å; Y104-L114 HydrophobicContact CD1-CD1 4.11Å; Y104-L114 HydrophobicContact CE1-CB 3.97Å; Y104-L114 HydrophobicContact CE1-CD1 4.31Å; Y104-L114 HydrophobicContact CE2-CB 4.25Å; Y104-L114 HydrophobicContact CG-CD1 4.28Å; Y104-A115 WeakPolarHBondContact OH-CA 3.35Å; Y104-A115 PolarHBondContact OH-N 2.91Å; Y104-Q118 PolarHBondContact OH-OE1 3.48Å
105	A	91.6	Very high	92.7	Very high	86 Å²	86	80.6 Å²	80.6	71%	0.711	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.2	175.5	0	0	0	0	0	113.4	A102 L103 P107	A102-A105 WeakPolarHBondContact O-CB 3.25Å; A102-A105 PolarHBondContact O-N 2.96Å; L103-A105 PolarHBondContact O-N 3.03Å; L103-A105 VanDerWaalsContact O-N 3.11Å; A105-P107 WeakPolarHBondContact O-CD 3.47Å
106	D	92.3	Very high	92.8	Very high	79 Å²	79	77.2 Å²	77.2	42%	0.422	43%	0.427	S	S	.	.			trans	-82.3	117.6	177	-173.1	-10.4	0	0	0	110.2	L103 Y104 D108 A109	L103-D106 WeakPolarHBondContact O-CB 3.2Å; L103-D106 PolarHBondContact O-N 3.26Å; Y104-D106 VanDerWaalsContact C-N 3.28Å; D106-D108 PolarHBondContact O-N 3.4Å; D106-D108 PolarHBondContact OD1-N 3.14Å; D106-A109 HydrophobicContact CB-CB 4.19Å; D106-A109 WeakPolarHBondContact O-CB 3.31Å; D106-A109 PolarHBondContact O-N 2.95Å; D106-A109 VanDerWaalsContact O-N 3.1Å
107	P	86.8	Confident	92.7	Very high	106 Å²	106	75 Å²	75	69%	0.688	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.3	178.9	-20.2	32	0	0	0	114	A105 A109	A105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-A109 VanDerWaalsContact C-N 3.34Å
108	D	90.9	Very high	92.8	Very high	151 Å²	151	76.7 Å²	76.7	81%	0.807	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	6.8	-179.5	-65.3	-40.9	0	0	0	112.3	D106	D106-D108 PolarHBondContact O-N 3.4Å; D106-D108 PolarHBondContact OD1-N 3.14Å
109	A	88.5	Confident	92.8	Very high	20 Å²	20	72.8 Å²	72.8	17%	0.165	41%	0.413	C	S	.	.	S	Bend	trans	-64.8	147.3	178.4	0	0	0	0	0	112.8	D106 P107 F111 L114	D106-A109 HydrophobicContact CB-CB 4.19Å; D106-A109 WeakPolarHBondContact O-CB 3.31Å; D106-A109 PolarHBondContact O-N 2.95Å; D106-A109 VanDerWaalsContact O-N 3.1Å; P107-A109 VanDerWaalsContact C-N 3.34Å; A109-F111 VanDerWaalsContact C-N 3.35Å; A109-F111 HydrophobicContact CB-CE1 4.35Å; A109-F111 HydrophobicContact CB-CZ 4.35Å; A109-F111 WeakPolarHBondContact O-CD2 3.39Å; A109-F111 WeakPolarHBondContact O-CE2 3.27Å; A109-F111 PolarHBondContact O-N 3.33Å; A109-L114 HydrophobicContact CB-CD1 3.82Å
110	D	92.6	Very high	92.9	Very high	96 Å²	96	76.6 Å²	76.6	51%	0.513	42%	0.424	S	S	.	.			trans	-77.5	85.5	169.8	-174.4	-15.6	0	0	0	109.7	D112 K113 L114	D110-D112 VanDerWaalsContact C-N 3.29Å; D110-D112 PolarHBondContact O-N 2.79Å; D110-K113 HydrophobicContact CB-CB 4.04Å; D110-K113 VanDerWaalsContact CG-CB 3.42Å; D110-K113 PolarHBondContact O-N 2.92Å; D110-K113 WeakPolarHBondContact OD1-CB 3.39Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 VanDerWaalsContact OD1-N 3.14Å; D110-K113 WeakPolarHBondContact OD2-CB 3.31Å; D110-L114 WeakPolarHBondContact O-CG 3.33Å; D110-L114 PolarHBondContact O-N 3.4Å
111	F	91.3	Very high	93	Very high	96 Å²	96	77.5 Å²	77.5	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-36.9	-175.8	-64.3	-73.5	0	0	0	113.3	Y104 A109 L114 A115	Y104-F111 AromaticContact CD1-CD1 3.68Å; Y104-F111 HydrophobicContact CD1-CD1 3.68Å; Y104-F111 HydrophobicContact CD1-CE1 4.02Å; Y104-F111 AromaticContact CE1-CD1 3.94Å; Y104-F111 HydrophobicContact CE1-CD1 3.94Å; A109-F111 VanDerWaalsContact C-N 3.35Å; A109-F111 HydrophobicContact CB-CE1 4.35Å; A109-F111 HydrophobicContact CB-CZ 4.35Å; A109-F111 WeakPolarHBondContact O-CD2 3.39Å; A109-F111 WeakPolarHBondContact O-CE2 3.27Å; A109-F111 PolarHBondContact O-N 3.33Å; F111-L114 PolarHBondContact O-N 3.36Å; F111-A115 WeakPolarHBondContact O-CB 3.5Å; F111-A115 PolarHBondContact O-N 3.42Å
112	D	91.8	Very high	93	Very high	140 Å²	140	76.2 Å²	76.2	75%	0.749	43%	0.426	S	S	*	.	H	α-helix	trans	-65.8	-42.3	179.5	-72.2	-27.6	0	0	0	110.7	D110 A116	D110-D112 VanDerWaalsContact C-N 3.29Å; D110-D112 PolarHBondContact O-N 2.79Å; D112-A116 PolarHBondContact O-N 3.27Å; D112-A116 VanDerWaalsContact O-N 3.13Å
113	K	93.7	Very high	93.1	Very high	136 Å²	136	79.4 Å²	79.4	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-66.8	-43.1	175.7	-174.9	-177.6	176.5	-172.7	0	112.2	D110 A116 E117	D110-K113 HydrophobicContact CB-CB 4.04Å; D110-K113 VanDerWaalsContact CG-CB 3.42Å; D110-K113 PolarHBondContact O-N 2.92Å; D110-K113 WeakPolarHBondContact OD1-CB 3.39Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 VanDerWaalsContact OD1-N 3.14Å; D110-K113 WeakPolarHBondContact OD2-CB 3.31Å; K113-A116 PolarHBondContact O-N 2.98Å; K113-E117 WeakPolarHBondContact O-CB 3.23Å; K113-E117 PolarHBondContact O-N 3.07Å
114	L	93.4	Very high	93	Very high	13 Å²	13	78.3 Å²	78.3	7%	0.068	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-41.6	177.7	-70.4	178.9	0	0	0	111.6	V100 L103 Y104 A109 D110 F111 E117 Q118	V100-L114 HydrophobicContact CG1-CB 4.31Å; V100-L114 HydrophobicContact CG1-CD2 4.22Å; V100-L114 HydrophobicContact CG2-CD2 4.41Å; L103-L114 HydrophobicContact CB-CD1 3.89Å; L103-L114 HydrophobicContact CB-CD2 3.97Å; L103-L114 HydrophobicContact CD1-CD2 3.91Å; Y104-L114 HydrophobicContact CD1-CD1 4.11Å; Y104-L114 HydrophobicContact CE1-CB 3.97Å; Y104-L114 HydrophobicContact CE1-CD1 4.31Å; Y104-L114 HydrophobicContact CE2-CB 4.25Å; Y104-L114 HydrophobicContact CG-CD1 4.28Å; A109-L114 HydrophobicContact CB-CD1 3.82Å; D110-L114 WeakPolarHBondContact O-CG 3.33Å; D110-L114 PolarHBondContact O-N 3.4Å; F111-L114 PolarHBondContact O-N 3.36Å; L114-E117 PolarHBondContact O-N 3.34Å; L114-Q118 WeakPolarHBondContact O-CB 3.4Å; L114-Q118 PolarHBondContact O-N 3.07Å
115	A	92.6	Very high	93	Very high	47 Å²	47	75.2 Å²	75.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-64.3	-42.2	177.6	0	0	0	0	0	112.4	Y104 F111 E117 Q118 G119	Y104-A115 WeakPolarHBondContact OH-CA 3.35Å; Y104-A115 PolarHBondContact OH-N 2.91Å; F111-A115 WeakPolarHBondContact O-CB 3.5Å; F111-A115 PolarHBondContact O-N 3.42Å; A115-E117 VanDerWaalsContact C-N 3.34Å; A115-Q118 PolarHBondContact O-N 3.2Å; A115-G119 PolarHBondContact O-N 2.81Å
116	A	94.6	Very high	93	Very high	62 Å²	62	78.8 Å²	78.8	51%	0.512	41%	0.414	S	S	.	.	H	α-helix	trans	-65.9	-36.2	175.2	0	0	0	0	0	112.5	D112 K113 R120	D112-A116 PolarHBondContact O-N 3.27Å; D112-A116 VanDerWaalsContact O-N 3.13Å; K113-A116 PolarHBondContact O-N 2.98Å; A116-R120 WeakPolarHBondContact O-CG 2.93Å; A116-R120 PolarHBondContact O-N 2.99Å
117	E	95.6	Very high	92.8	Very high	33 Å²	33	78.9 Å²	78.9	15%	0.154	43%	0.425	C	S	.	.	H	α-helix	trans	-69.1	-46.6	174.9	-166.6	173.1	180	0	0	111.5	R96 V100 K113 L114 A115 G119 R120 L121	R96-E117 IonicContact CZ-OE1 2.84Å; R96-E117 VanDerWaalsContact CZ-OE1 3.31Å; R96-E117 IonicContact NE-OE1 3.44Å; R96-E117 PolarHBondContact NE-OE1 3.43Å; R96-E117 IonicContact NH2-OE1 3.88Å; R96-E117 PolarHBondContact NH2-OE1 2.88Å; R96-E117 IonicContact NH2-OE2 3.18Å; R96-E117 PolarHBondContact NH2-OE2 3.05Å; R96-E117 VanDerWaalsContact NH2-OE2 3.09Å; V100-E117 HydrophobicContact CG2-CG 4.3Å; K113-E117 WeakPolarHBondContact O-CB 3.23Å; K113-E117 PolarHBondContact O-N 3.07Å; L114-E117 PolarHBondContact O-N 3.34Å; A115-E117 VanDerWaalsContact C-N 3.34Å; E117-G119 PolarHBondContact O-N 3.36Å; E117-R120 PolarHBondContact O-N 2.77Å; E117-L121 HydrophobicContact CG-CD1 4.03Å; E117-L121 VanDerWaalsContact O-CG 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.21Å
118	Q	95.1	Very high	92.7	Very high	41 Å²	41	77.7 Å²	77.7	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-52.1	-51.7	174.3	178.1	-176.6	-12.1	0	0	111.6	L97 V100 Y101 Y104 L114 A115 R120 L121 E122	L97-Q118 HydrophobicContact CD1-CB 4.42Å; L97-Q118 HydrophobicContact CD1-CG 3.81Å; V100-Q118 HydrophobicContact CG1-CB 4.16Å; Y101-Q118 HydrophobicContact CE1-CG 4.48Å; Y104-Q118 PolarHBondContact OH-OE1 3.48Å; L114-Q118 WeakPolarHBondContact O-CB 3.4Å; L114-Q118 PolarHBondContact O-N 3.07Å; A115-Q118 PolarHBondContact O-N 3.2Å; Q118-R120 VanDerWaalsContact C-N 3.31Å; Q118-R120 PolarHBondContact O-N 3.34Å; Q118-L121 PolarHBondContact O-N 3.13Å; Q118-L121 VanDerWaalsContact O-N 3.09Å; Q118-E122 HydrophobicContact CG-CG 4.27Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.45Å; Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 WeakPolarHBondContact O-CG 3.33Å; Q118-E122 PolarHBondContact O-N 3.21Å
119	G	95.4	Very high	92.5	Very high	28 Å²	28	74.2 Å²	74.2	29%	0.289	39%	0.392	S	S	.	.	H	α-helix	trans	-57.4	-42.9	-178.7	0	0	0	0	0	112.8	A115 E117 L121 E122 E123	A115-G119 PolarHBondContact O-N 2.81Å; E117-G119 PolarHBondContact O-N 3.36Å; G119-L121 PolarHBondContact O-N 3.21Å; G119-E122 PolarHBondContact O-N 3.23Å; G119-E123 WeakPolarHBondContact O-CG 3.38Å; G119-E123 PolarHBondContact O-N 3.47Å
120	R	95.9	Very high	92.4	Very high	163 Å²	163	73.3 Å²	73.3	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-65.3	-39	176.1	-68.6	-173.5	-60.1	-172.7	3.8	112.8	A116 E117 Q118 I124	A116-R120 WeakPolarHBondContact O-CG 2.93Å; A116-R120 PolarHBondContact O-N 2.99Å; E117-R120 PolarHBondContact O-N 2.77Å; Q118-R120 VanDerWaalsContact C-N 3.31Å; Q118-R120 PolarHBondContact O-N 3.34Å; R120-I124 WeakPolarHBondContact O-CG1 3.36Å; R120-I124 PolarHBondContact O-N 3.26Å
121	L	96.4	Very high	92.1	Very high	19 Å²	19	75.5 Å²	75.5	10%	0.099	39%	0.392	C	S	.	.	H	α-helix	trans	-68.9	-42.9	179	-64.9	166.7	0	0	0	111.2	A93 R96 L97 V100 E117 Q118 G119 E123 I124 I125	A93-L121 HydrophobicContact CB-CD2 4.03Å; R96-L121 HydrophobicContact CB-CD1 4.07Å; R96-L121 HydrophobicContact CB-CD2 4.04Å; R96-L121 HydrophobicContact CG-CD1 3.7Å; R96-L121 HydrophobicContact CG-CD2 4.05Å; L97-L121 HydrophobicContact CB-CB 4.46Å; L97-L121 HydrophobicContact CB-CD1 4.34Å; L97-L121 HydrophobicContact CD1-CB 4.46Å; V100-L121 HydrophobicContact CG2-CD1 4.09Å; E117-L121 HydrophobicContact CG-CD1 4.03Å; E117-L121 VanDerWaalsContact O-CG 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.21Å; Q118-L121 PolarHBondContact O-N 3.13Å; Q118-L121 VanDerWaalsContact O-N 3.09Å; G119-L121 PolarHBondContact O-N 3.21Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 2.86Å; L121-I124 PolarHBondContact O-N 3.27Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.24Å
122	E	94.5	Very high	92	Very high	75 Å²	75	74.7 Å²	74.7	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-40.3	175.8	-73.9	179.7	179	0	0	111.9	L97 Y101 Q118 G119 I124 I125 Q126	L97-E122 HydrophobicContact CD1-CG 4.35Å; L97-E122 HydrophobicContact CD2-CG 4.27Å; Y101-E122 PolarHBondContact OH-OE1 3.19Å; Q118-E122 HydrophobicContact CG-CG 4.27Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.45Å; Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 WeakPolarHBondContact O-CG 3.33Å; Q118-E122 PolarHBondContact O-N 3.21Å; G119-E122 PolarHBondContact O-N 3.23Å; E122-I124 PolarHBondContact O-N 3.48Å; E122-I125 PolarHBondContact O-N 2.84Å; E122-Q126 VanDerWaalsContact O-CB 3.28Å; E122-Q126 WeakPolarHBondContact O-CB 3.39Å; E122-Q126 PolarHBondContact O-N 2.76Å
123	E	95	Very high	91.9	Very high	136 Å²	136	68.6 Å²	68.6	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-59	-45.6	173.8	-77.6	175.2	-174.4	0	0	111.9	G119 L121 Q126 A127	G119-E123 WeakPolarHBondContact O-CG 3.38Å; G119-E123 PolarHBondContact O-N 3.47Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 2.86Å; E123-Q126 PolarHBondContact O-N 2.71Å; E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.49Å; E123-A127 PolarHBondContact O-N 2.95Å
124	I	92.5	Very high	91.7	Very high	51 Å²	51	66.6 Å²	66.6	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-46.2	176.7	-67.5	166.5	0	0	0	110.7	E89 A93 R120 L121 E122 A127 H128	E89-I124 HydrophobicContact CG-CG2 3.95Å; A93-I124 HydrophobicContact CB-CB 4.21Å; A93-I124 HydrophobicContact CB-CG2 3.8Å; R120-I124 WeakPolarHBondContact O-CG1 3.36Å; R120-I124 PolarHBondContact O-N 3.26Å; L121-I124 PolarHBondContact O-N 3.27Å; E122-I124 PolarHBondContact O-N 3.48Å; I124-A127 PolarHBondContact O-N 3.09Å; I124-H128 PolarHBondContact O-N 3.41Å; I124-H128 PolarHBondContact O-ND1 3.38Å
125	I	92.3	Very high	91.5	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-45.5	-179.8	-68.5	160.6	0	0	0	110.1	A93 L94 L97 L121 E122 H128 D129 G130	A93-I125 HydrophobicContact CB-CD1 4.35Å; A93-I125 HydrophobicContact CB-CG1 3.92Å; L94-I125 HydrophobicContact CD2-CD1 3.82Å; L94-I125 HydrophobicContact CD2-CG1 3.99Å; L94-I125 HydrophobicContact CD2-CG2 3.99Å; L94-I125 HydrophobicContact CG-CD1 4.21Å; L94-I125 HydrophobicContact CG-CG1 4.1Å; L97-I125 HydrophobicContact CB-CD1 4.23Å; L97-I125 HydrophobicContact CD2-CD1 3.55Å; L121-I125 WeakPolarHBondContact O-CD1 3.42Å; L121-I125 WeakPolarHBondContact O-CG1 3.41Å; L121-I125 PolarHBondContact O-N 3.24Å; E122-I125 PolarHBondContact O-N 2.84Å; I125-H128 PolarHBondContact O-N 2.92Å; I125-D129 PolarHBondContact O-N 2.86Å; I125-D129 VanDerWaalsContact O-N 3.11Å; I125-G130 PolarHBondContact O-N 2.67Å
126	Q	92.2	Very high	91.2	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	37%	0.365	S	S	*	.	H	α-helix	trans	-65.6	-42.7	-179.6	-173.2	177.7	2.8	0	0	111.8	E122 E123 H128 D129	E122-Q126 VanDerWaalsContact O-CB 3.28Å; E122-Q126 WeakPolarHBondContact O-CB 3.39Å; E122-Q126 PolarHBondContact O-N 2.76Å; E123-Q126 PolarHBondContact O-N 2.71Å; Q126-H128 PolarHBondContact O-N 3.43Å; Q126-D129 PolarHBondContact O-N 3.13Å
127	A	87.3	Confident	91	Very high	81 Å²	81	66.7 Å²	66.7	67%	0.669	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-28.7	179.6	0	0	0	0	0	113.2	E123 I124	E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.49Å; E123-A127 PolarHBondContact O-N 2.95Å; I124-A127 PolarHBondContact O-N 3.09Å
128	H	85.1	Confident	90.8	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.37	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	6.4	-178.4	-62	88.5	0	0	0	114	V90 I124 I125 Q126 G130	V90-H128 HydrophobicContact CB-CB 4.45Å; V90-H128 HydrophobicContact CG1-CB 4.28Å; V90-H128 HydrophobicContact CG2-CB 3.3Å; I124-H128 PolarHBondContact O-N 3.41Å; I124-H128 PolarHBondContact O-ND1 3.38Å; I125-H128 PolarHBondContact O-N 2.92Å; Q126-H128 PolarHBondContact O-N 3.43Å; H128-G130 PolarHBondContact O-N 2.99Å
129	D	86.8	Confident	90.4	Very high	78 Å²	78	75 Å²	75	42%	0.417	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.7	-171.9	-174.3	37.5	0	0	0	112.1	I125 Q126 H131 N132 Q136	I125-D129 PolarHBondContact O-N 2.86Å; I125-D129 VanDerWaalsContact O-N 3.11Å; Q126-D129 PolarHBondContact O-N 3.13Å; D129-H131 VanDerWaalsContact C-N 3.26Å; D129-H131 PolarHBondContact O-N 2.85Å; D129-N132 PolarHBondContact O-N 3Å; D129-N132 PolarHBondContact OD1-ND2 2.86Å; D129-N132 WeakPolarHBondContact OD2-CB 3.47Å; D129-N132 PolarHBondContact OD2-ND2 3.4Å; D129-Q136 PolarHBondContact O-NE2 3.32Å; D129-Q136 PolarHBondContact OD2-NE2 2.87Å
130	G	85.7	Confident	90.1	Very high	2 Å²	2	74.2 Å²	74.2	2%	0.021	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-61.5	-27.4	-168.7	0	0	0	0	0	114.5	V90 I125 H128 N132 L133	V90-G130 VanDerWaalsContact CG1-CA 3.48Å; I125-G130 PolarHBondContact O-N 2.67Å; H128-G130 PolarHBondContact O-N 2.99Å; G130-N132 PolarHBondContact O-N 2.8Å; G130-L133 WeakPolarHBondContact O-CB 3.49Å; G130-L133 PolarHBondContact O-N 2.9Å
131	H	87.6	Confident	89.9	Confident	142 Å²	142	66.4 Å²	66.4	66%	0.657	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.9	174.4	-66.5	-55	0	0	0	113.1	D129	D129-H131 VanDerWaalsContact C-N 3.26Å; D129-H131 PolarHBondContact O-N 2.85Å
132	N	89.4	Confident	89.6	Confident	78 Å²	78	68 Å²	68	42%	0.417	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-94.8	6.7	174.4	-68	-51.3	0	0	0	112.9	D129 G130 N134 V135 Q136	D129-N132 PolarHBondContact O-N 3Å; D129-N132 PolarHBondContact OD1-ND2 2.86Å; D129-N132 WeakPolarHBondContact OD2-CB 3.47Å; D129-N132 PolarHBondContact OD2-ND2 3.4Å; G130-N132 PolarHBondContact O-N 2.8Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 3.07Å; N132-V135 WeakPolarHBondContact O-CB 3.34Å; N132-V135 PolarHBondContact O-N 3.49Å; N132-Q136 PolarHBondContact O-N 3.29Å
133	L	88.6	Confident	89.3	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-52.2	-47.7	-173.5	-179.4	62.3	0	0	0	112.1	V87 V90 V91 L94 G130 V135 Q136 L137	V87-L133 HydrophobicContact CB-CD1 4.12Å; V87-L133 HydrophobicContact CG1-CD1 4.14Å; V87-L133 HydrophobicContact CG2-CD1 4.08Å; V87-L133 HydrophobicContact CG2-CD2 4.22Å; V90-L133 HydrophobicContact CG1-CD2 4.25Å; V91-L133 HydrophobicContact CG2-CD2 3.58Å; L94-L133 HydrophobicContact CD1-CD2 4.35Å; G130-L133 WeakPolarHBondContact O-CB 3.49Å; G130-L133 PolarHBondContact O-N 2.9Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.16Å; L133-Q136 WeakPolarHBondContact O-CB 2.98Å; L133-Q136 PolarHBondContact O-N 3.34Å; L133-Q136 VanDerWaalsContact O-N 3.09Å; L133-L137 HydrophobicContact CD1-CD2 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.13Å; L133-L137 HydrophobicContact CG-CD1 4.2Å; L133-L137 HydrophobicContact CG-CG 4.21Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 2.89Å
134	N	88.8	Confident	89.1	Confident	94 Å²	94	58.2 Å²	58.2	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-41.5	178.3	-76.9	-38	0	0	0	112.8	R80 N132 L137 E138	R80-N134 PolarHBondContact NH2-OD1 3.46Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 3.07Å; N134-L137 PolarHBondContact O-N 3.27Å; N134-E138 WeakPolarHBondContact O-CG 3.47Å; N134-E138 PolarHBondContact O-N 2.71Å
135	V	89.5	Confident	88.9	Confident	73 Å²	73	57 Å²	57	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-68.2	-39.7	178.1	179	0	0	0	0	110.8	N132 L133 E138 R139	N132-V135 WeakPolarHBondContact O-CB 3.34Å; N132-V135 PolarHBondContact O-N 3.49Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.16Å; V135-E138 PolarHBondContact O-N 2.97Å; V135-R139 WeakPolarHBondContact O-CB 3.47Å; V135-R139 VanDerWaalsContact O-CG 3.32Å; V135-R139 WeakPolarHBondContact O-CG 3.5Å; V135-R139 PolarHBondContact O-N 3.23Å
136	Q	86.9	Confident	88.9	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.238	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-44.3	176	-63.7	-178.9	32.4	0	0	111.4	D129 N132 L133 R139 A140	D129-Q136 PolarHBondContact O-NE2 3.32Å; D129-Q136 PolarHBondContact OD2-NE2 2.87Å; N132-Q136 PolarHBondContact O-N 3.29Å; L133-Q136 WeakPolarHBondContact O-CB 2.98Å; L133-Q136 PolarHBondContact O-N 3.34Å; L133-Q136 VanDerWaalsContact O-N 3.09Å; Q136-R139 PolarHBondContact O-N 3.22Å; Q136-A140 WeakPolarHBondContact O-CB 3.5Å; Q136-A140 PolarHBondContact O-N 2.66Å
137	L	90.4	Very high	88.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-46.5	176.5	-67.2	-173.1	0	0	0	111.6	I83 E84 V87 L133 N134 A140 A141 W149 L171	I83-L137 HydrophobicContact CG2-CD2 3.68Å; E84-L137 HydrophobicContact CG-CD1 4.11Å; V87-L137 HydrophobicContact CG2-CD2 4.41Å; L133-L137 HydrophobicContact CD1-CD2 4.25Å; L133-L137 HydrophobicContact CD1-CG 4.13Å; L133-L137 HydrophobicContact CG-CD1 4.2Å; L133-L137 HydrophobicContact CG-CG 4.21Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 2.89Å; N134-L137 PolarHBondContact O-N 3.27Å; L137-A140 PolarHBondContact O-N 2.87Å; L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.07Å; L137-W149 HydrophobicContact CB-CH2 4.16Å; L137-W149 HydrophobicContact CB-CZ2 4.3Å; L137-L171 HydrophobicContact CD2-CD1 3.49Å; L137-L171 VanDerWaalsContact CD2-CD1 3.49Å; L137-L171 HydrophobicContact CD2-CD2 4.28Å; L137-L171 HydrophobicContact CD2-CG 4.5Å
138	E	90.6	Very high	89	Confident	67 Å²	67	51.3 Å²	51.3	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-43.6	177.7	-70.3	-61.4	168.7	0	0	112.1	N134 V135 A140 A141 D142 W149 R540	N134-E138 WeakPolarHBondContact O-CG 3.47Å; N134-E138 PolarHBondContact O-N 2.71Å; V135-E138 PolarHBondContact O-N 2.97Å; E138-A140 PolarHBondContact O-N 2.85Å; E138-A141 PolarHBondContact O-N 3.24Å; E138-D142 WeakPolarHBondContact O-CB 3.44Å; E138-D142 VanDerWaalsContact O-CG 3.31Å; E138-D142 PolarHBondContact O-N 2.9Å; E138-W149 PolarHBondContact OE1-NE1 3.43Å; E138-W149 PolarHBondContact OE2-NE1 3.23Å; E138-R540 IonicContact OE2-NH2 3.28Å; E138-R540 PolarHBondContact OE2-NH2 3.01Å; E138-R540 VanDerWaalsContact OE2-NH2 3.08Å
139	R	88.5	Confident	89.5	Confident	182 Å²	182	49 Å²	49	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-61.9	-45.2	177.7	-75.6	177.6	178.5	-176.4	0.9	112.3	V135 Q136 A141 A143	V135-R139 WeakPolarHBondContact O-CB 3.47Å; V135-R139 VanDerWaalsContact O-CG 3.32Å; V135-R139 WeakPolarHBondContact O-CG 3.5Å; V135-R139 PolarHBondContact O-N 3.23Å; Q136-R139 PolarHBondContact O-N 3.22Å; R139-A141 VanDerWaalsContact C-N 3.34Å; R139-A143 VanDerWaalsContact O-CB 3.24Å; R139-A143 WeakPolarHBondContact O-CB 3.45Å; R139-A143 PolarHBondContact O-N 2.89Å
140	A	88.4	Confident	89.9	Confident	11 Å²	11	51.3 Å²	51.3	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.7	0	0	0	0	0	111.4	Q136 L137 E138 A143 L144 L171	Q136-A140 WeakPolarHBondContact O-CB 3.5Å; Q136-A140 PolarHBondContact O-N 2.66Å; L137-A140 PolarHBondContact O-N 2.87Å; E138-A140 PolarHBondContact O-N 2.85Å; A140-A143 PolarHBondContact O-N 2.85Å; A140-L144 PolarHBondContact O-N 3.48Å; A140-L144 VanDerWaalsContact O-N 3.13Å; A140-L171 HydrophobicContact CB-CD2 4.24Å
141	A	91.2	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.9	0	0	0	0	0	112.8	L137 E138 R139 R145 L146 W149	L137-A141 WeakPolarHBondContact O-CB 3.48Å; L137-A141 PolarHBondContact O-N 3.07Å; E138-A141 PolarHBondContact O-N 3.24Å; R139-A141 VanDerWaalsContact C-N 3.34Å; A141-R145 WeakPolarHBondContact O-CA 3.38Å; A141-R145 PolarHBondContact O-N 3.38Å; A141-L146 HydrophobicContact CB-CB 4.19Å; A141-L146 HydrophobicContact CB-CD1 3.83Å; A141-L146 HydrophobicContact CB-CG 4.11Å; A141-L146 PolarHBondContact O-N 2.86Å; A141-W149 HydrophobicContact CB-CH2 3.58Å; A141-W149 HydrophobicContact CB-CZ2 3.35Å
142	D	89.7	Confident	90.9	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-66.4	-42.7	176.1	-75.6	-7.2	0	0	0	111.2	E138 L144 R145 R540	E138-D142 WeakPolarHBondContact O-CB 3.44Å; E138-D142 VanDerWaalsContact O-CG 3.31Å; E138-D142 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.21Å; D142-R145 PolarHBondContact O-N 3.34Å; D142-R540 WeakPolarHBondContact OD1-CD 3.34Å; D142-R540 WeakPolarHBondContact OD1-CG 3.2Å; D142-R540 IonicContact OD1-CZ 3.58Å; D142-R540 IonicContact OD1-NE 3.11Å; D142-R540 PolarHBondContact OD1-NE 3.13Å; D142-R540 IonicContact OD1-NH2 2.95Å
143	A	88.8	Confident	91.2	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-33	-177.2	0	0	0	0	0	114.1	R139 A140 S190 W193 P538	R139-A143 VanDerWaalsContact O-CB 3.24Å; R139-A143 WeakPolarHBondContact O-CB 3.45Å; R139-A143 PolarHBondContact O-N 2.89Å; A140-A143 PolarHBondContact O-N 2.85Å; A143-S190 WeakPolarHBondContact O-CB 3.45Å; A143-S190 PolarHBondContact O-OG 3.03Å; A143-W193 HydrophobicContact CB-CB 4.48Å; A143-W193 HydrophobicContact CB-CD2 3.43Å; A143-W193 VanDerWaalsContact CB-CD2 3.43Å; A143-W193 HydrophobicContact CB-CE3 3.99Å; A143-W193 HydrophobicContact CB-CG 3.62Å; A143-W193 HydrophobicContact CB-CH2 4.44Å; A143-W193 HydrophobicContact CB-CZ2 3.92Å; A143-W193 HydrophobicContact CB-CZ3 4.47Å; A143-P538 HydrophobicContact CB-CG 4.31Å
144	L	91.2	Very high	91.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	9.5	173.6	-66.6	174.7	0	0	0	112.8	A140 D142 L146 R163 L166 C167 L170 L186 W193	A140-L144 PolarHBondContact O-N 3.48Å; A140-L144 VanDerWaalsContact O-N 3.13Å; D142-L144 VanDerWaalsContact C-N 3.33Å; D142-L144 PolarHBondContact O-N 3.21Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L144-L146 HydrophobicContact CB-CD2 4.16Å; L144-L146 PolarHBondContact O-N 3.38Å; L144-R163 WeakPolarHBondContact O-CD 3.27Å; L144-R163 PolarHBondContact O-NE 3.08Å; L144-L166 HydrophobicContact CD1-CD2 4.24Å; L144-L166 HydrophobicContact CD1-CG 4.06Å; L144-L166 HydrophobicContact CD2-CD2 3.87Å; L144-C167 HydrophobicContact CD1-CB 3.53Å; L144-L170 HydrophobicContact CD1-CD1 4.24Å; L144-L186 HydrophobicContact CD2-CD1 4.28Å; L144-L186 HydrophobicContact CD2-CD2 4.2Å; L144-W193 HydrophobicContact CD1-CZ3 4.19Å; L144-W193 HydrophobicContact CD2-CE3 4.06Å; L144-W193 HydrophobicContact CD2-CZ3 4.01Å; L144-W193 HydrophobicContact CG-CE3 4.26Å; L144-W193 HydrophobicContact CG-CZ3 3.92Å
145	R	88.1	Confident	91.7	Very high	25 Å²	25	50.7 Å²	50.7	9%	0.094	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.6	56.9	-178.4	-60.5	-170.3	-175.4	-127.8	13.4	112	A141 D142 R163 D187 E189 P350 K539	A141-R145 WeakPolarHBondContact O-CA 3.38Å; A141-R145 PolarHBondContact O-N 3.38Å; D142-R145 PolarHBondContact O-N 3.34Å; R145-R163 PolarHBondContact O-NE 2.83Å; R145-R163 VanDerWaalsContact O-NE 3.15Å; R145-R163 PolarHBondContact O-NH2 3.21Å; R145-D187 WeakPolarHBondContact CD-OD2 3.5Å; R145-D187 IonicContact CZ-OD2 2.68Å; R145-D187 IonicContact NE-OD1 2.72Å; R145-D187 IonicContact NE-OD2 2.9Å; R145-D187 PolarHBondContact NE-OD2 2.87Å; R145-D187 IonicContact NH2-OD2 3.17Å; R145-E189 IonicContact CZ-OE2 2.82Å; R145-E189 IonicContact NH2-OE2 2.76Å; R145-E189 PolarHBondContact NH2-OE2 3.41Å; R145-P350 VanDerWaalsContact CZ-CB 3.46Å; R145-K539 PolarHBondContact NE-O 3.35Å; R145-K539 PolarHBondContact NH1-O 2.88Å
146	L	92.5	Very high	91.8	Very high	7 Å²	7	48 Å²	48	4%	0.037	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.6	153.1	176.7	-63.2	-169	0	0	0	110.6	V79 I83 A141 L144 R163 V164 C167	V79-L146 HydrophobicContact CG1-CB 4.44Å; V79-L146 HydrophobicContact CG1-CD1 4.19Å; I83-L146 HydrophobicContact CD1-CD1 4.06Å; I83-L146 HydrophobicContact CG1-CD1 4.21Å; A141-L146 HydrophobicContact CB-CB 4.19Å; A141-L146 HydrophobicContact CB-CD1 3.83Å; A141-L146 HydrophobicContact CB-CG 4.11Å; A141-L146 PolarHBondContact O-N 2.86Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L144-L146 HydrophobicContact CB-CD2 4.16Å; L144-L146 PolarHBondContact O-N 3.38Å; L146-R163 HydrophobicContact CD2-CB 3.76Å; L146-R163 WeakPolarHBondContact CD2-O 3.29Å; L146-V164 HydrophobicContact CD2-CB 4.45Å; L146-V164 HydrophobicContact CD2-CG2 3.98Å; L146-C167 HydrophobicContact CD1-CB 3.83Å; L146-C167 HydrophobicContact CD2-CB 4.12Å; L146-C167 HydrophobicContact CG-CB 4.4Å
147	P	90.8	Very high	91.8	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.104	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.5	171.1	167	-17.8	30.9	0	0	0	111.7	V79 A151 L156 E160	V79-P147 HydrophobicContact CG2-CB 4.14Å; V79-P147 HydrophobicContact CG2-CG 4.35Å; P147-A151 HydrophobicContact CB-CB 4.13Å; P147-L156 HydrophobicContact CB-CD2 3.78Å; P147-L156 HydrophobicContact CG-CD1 4.05Å; P147-L156 HydrophobicContact CG-CD2 3.57Å; P147-L156 HydrophobicContact CG-CG 4.42Å; P147-E160 HydrophobicContact CG-CB 3.84Å; P147-E160 HydrophobicContact CG-CG 3.87Å
148	D	91.2	Very high	91.5	Very high	101 Å²	101	50.3 Å²	50.3	54%	0.54	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-55.2	145.3	175.8	-65.9	-35.5	0	0	0	111.5	D150 A151	D148-D150 WeakPolarHBondContact CB-OD1 3.46Å; D148-D150 PolarHBondContact O-N 2.79Å; D148-A151 WeakPolarHBondContact O-CB 3.42Å; D148-A151 PolarHBondContact O-N 2.81Å
149	W	94.9	Very high	91.3	Very high	32 Å²	32	47.6 Å²	47.6	12%	0.121	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.2	-171.2	-77.9	123.7	0	0	0	113.5	T78 V79 R80 I83 L137 E138 A141	T78-W149 WeakPolarHBondContact CB-O 3.49Å; V79-W149 HydrophobicContact CB-CE3 4.49Å; V79-W149 HydrophobicContact CG1-CE3 3.88Å; V79-W149 HydrophobicContact CG1-CZ3 4.11Å; V79-W149 PolarHBondContact N-O 3.08Å; R80-W149 HydrophobicContact CB-CB 4.09Å; R80-W149 HydrophobicContact CB-CD2 4.26Å; R80-W149 HydrophobicContact CB-CE3 3.61Å; R80-W149 HydrophobicContact CB-CZ3 4.34Å; R80-W149 WeakPolarHBondContact CB-O 3.36Å; R80-W149 HydrophobicContact CG-CE3 4.06Å; R80-W149 PolarHBondContact N-O 3.34Å; I83-W149 HydrophobicContact CB-CZ3 4.05Å; I83-W149 HydrophobicContact CG1-CZ3 3.95Å; I83-W149 HydrophobicContact CG2-CH2 4.34Å; I83-W149 HydrophobicContact CG2-CZ3 4.23Å; L137-W149 HydrophobicContact CB-CH2 4.16Å; L137-W149 HydrophobicContact CB-CZ2 4.3Å; E138-W149 PolarHBondContact OE1-NE1 3.43Å; E138-W149 PolarHBondContact OE2-NE1 3.23Å; A141-W149 HydrophobicContact CB-CH2 3.58Å; A141-W149 HydrophobicContact CB-CZ2 3.35Å
150	D	95.7	Very high	91.4	Very high	127 Å²	127	41.7 Å²	41.7	68%	0.679	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.2	178.5	64.4	-34.8	0	0	0	113.4	D148 K152	D148-D150 WeakPolarHBondContact CB-OD1 3.46Å; D148-D150 PolarHBondContact O-N 2.79Å; D150-K152 PolarHBondContact O-N 2.97Å
151	A	95.5	Very high	91.6	Very high	28 Å²	28	44.8 Å²	44.8	23%	0.231	25%	0.253	C	S	.	.			trans	-63.8	130.5	177.7	0	0	0	0	0	110.6	T78 V79 P147 D148 L156	T78-A151 CarbonylContact C-O 3.54Å; T78-A151 VanDerWaalsContact CA-O 3.28Å; T78-A151 WeakPolarHBondContact CA-O 3.36Å; V79-A151 HydrophobicContact CG2-CB 4.17Å; V79-A151 PolarHBondContact N-O 2.89Å; P147-A151 HydrophobicContact CB-CB 4.13Å; D148-A151 WeakPolarHBondContact O-CB 3.42Å; D148-A151 PolarHBondContact O-N 2.81Å; A151-L156 HydrophobicContact CB-CD2 4.17Å
152	K	97.1	Very high	91.6	Very high	94 Å²	94	45.2 Å²	45.2	41%	0.409	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-73.3	133.7	175.6	-77.4	-154.2	168.3	-153.2	0	111.9	E76 D150 A154 N155	E76-K152 IonicContact OE2-NZ 2.63Å; E76-K152 PolarHBondContact OE2-NZ 2.79Å; D150-K152 PolarHBondContact O-N 2.97Å; K152-A154 PolarHBondContact O-N 3.32Å; K152-N155 PolarHBondContact O-N 3.27Å
153	I	96.2	Very high	91.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.5	-37.9	178.4	-65.6	-55.2	0	0	0	112.2	L73 N74 H77 V79 S82 N155 L156 R161 V164	L73-I153 HydrophobicContact CB-CG2 3.66Å; L73-I153 HydrophobicContact CD1-CD1 4.08Å; L73-I153 HydrophobicContact CD1-CG2 4.47Å; N74-I153 WeakPolarHBondContact O-CB 3.46Å; H77-I153 WeakPolarHBondContact O-CG1 3.45Å; H77-I153 PolarHBondContact O-N 2.96Å; V79-I153 HydrophobicContact CG2-CD1 4.25Å; S82-I153 VanDerWaalsContact OG-CG1 3.3Å; S82-I153 WeakPolarHBondContact OG-CG1 3.47Å; I153-N155 PolarHBondContact O-N 2.92Å; I153-L156 HydrophobicContact CD1-CD1 3.67Å; I153-L156 WeakPolarHBondContact O-CB 3.39Å; I153-L156 PolarHBondContact O-N 3.02Å; I153-R161 HydrophobicContact CG2-CG 4.26Å; I153-V164 HydrophobicContact CD1-CG1 4.06Å
154	A	94.4	Very high	92.1	Very high	53 Å²	53	43.2 Å²	43.2	44%	0.438	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32.4	177.4	0	0	0	0	0	113.8	P75 K152	P75-A154 HydrophobicContact CB-CB 3.99Å; P75-A154 WeakPolarHBondContact O-CB 3.08Å; P75-A154 PolarHBondContact O-N 3.01Å; P75-A154 VanDerWaalsContact O-N 3.08Å; K152-A154 PolarHBondContact O-N 3.32Å
155	N	93.8	Very high	92.3	Very high	137 Å²	137	43.6 Å²	43.6	73%	0.733	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-92.9	-6.8	-174.9	-64.4	-21.2	0	0	0	113.3	K152 I153	K152-N155 PolarHBondContact O-N 3.27Å; I153-N155 PolarHBondContact O-N 2.92Å
156	L	91.1	Very high	92.7	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-71.9	152.2	-178.9	-62.1	-172.7	0	0	0	111.3	V79 P147 A151 I153 E160 R161 V164	V79-L156 HydrophobicContact CG2-CD1 4.02Å; P147-L156 HydrophobicContact CB-CD2 3.78Å; P147-L156 HydrophobicContact CG-CD1 4.05Å; P147-L156 HydrophobicContact CG-CD2 3.57Å; P147-L156 HydrophobicContact CG-CG 4.42Å; A151-L156 HydrophobicContact CB-CD2 4.17Å; I153-L156 HydrophobicContact CD1-CD1 3.67Å; I153-L156 WeakPolarHBondContact O-CB 3.39Å; I153-L156 PolarHBondContact O-N 3.02Å; L156-E160 HydrophobicContact CB-CB 3.93Å; L156-E160 HydrophobicContact CD1-CB 4.34Å; L156-E160 HydrophobicContact CD2-CB 4.37Å; L156-E160 HydrophobicContact CG-CB 4.43Å; L156-R161 HydrophobicContact CB-CG 3.78Å; L156-R161 HydrophobicContact CD1-CG 4.3Å; L156-R161 PolarHBondContact O-NH1 3.34Å; L156-V164 HydrophobicContact CD1-CG2 4.04Å
157	S	86.8	Confident	92.8	Very high	58 Å²	58	42.2 Å²	42.2	41%	0.406	24%	0.24	S	C	.	.			trans	-68.6	163.6	164.6	63.9	0	0	0	0	111.2	G159 E160 R161	S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.94Å; S157-E160 WeakPolarHBondContact CB-OE2 3.48Å; S157-E160 PolarHBondContact N-OE2 2.97Å; S157-E160 PolarHBondContact O-N 3.05Å; S157-E160 WeakPolarHBondContact OG-CB 3.17Å; S157-E160 VanDerWaalsContact OG-CD 3.24Å; S157-E160 VanDerWaalsContact OG-CG 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.48Å; S157-E160 PolarHBondContact OG-N 3.41Å; S157-E160 PolarHBondContact OG-OE2 3.48Å; S157-R161 PolarHBondContact O-N 3.47Å
158	G	84.3	Confident	92.9	Very high	43 Å²	43	44.2 Å²	44.2	44%	0.443	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-40.4	175.9	0	0	0	0	0	112.8	R161 R162	G158-R161 PolarHBondContact O-N 2.88Å; G158-R162 PolarHBondContact O-N 3.36Å
159	G	86.4	Confident	93.1	Very high	10 Å²	10	39.9 Å²	39.9	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-43.9	175.6	0	0	0	0	0	112.7	S157 R162 R163	S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.94Å; G159-R162 WeakPolarHBondContact O-CB 3.29Å; G159-R162 PolarHBondContact O-N 2.87Å; G159-R163 WeakPolarHBondContact O-CG 3.25Å; G159-R163 PolarHBondContact O-N 2.79Å
160	E	90.9	Very high	93	Very high	57 Å²	57	38.6 Å²	38.6	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-62.2	-45.1	175.7	-75.7	164.7	147.3	0	0	112.3	P147 L156 S157 R162 R163 V164	P147-E160 HydrophobicContact CG-CB 3.84Å; P147-E160 HydrophobicContact CG-CG 3.87Å; L156-E160 HydrophobicContact CB-CB 3.93Å; L156-E160 HydrophobicContact CD1-CB 4.34Å; L156-E160 HydrophobicContact CD2-CB 4.37Å; L156-E160 HydrophobicContact CG-CB 4.43Å; S157-E160 WeakPolarHBondContact CB-OE2 3.48Å; S157-E160 PolarHBondContact N-OE2 2.97Å; S157-E160 PolarHBondContact O-N 3.05Å; S157-E160 WeakPolarHBondContact OG-CB 3.17Å; S157-E160 VanDerWaalsContact OG-CD 3.24Å; S157-E160 VanDerWaalsContact OG-CG 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.48Å; S157-E160 PolarHBondContact OG-N 3.41Å; S157-E160 PolarHBondContact OG-OE2 3.48Å; E160-R162 VanDerWaalsContact C-N 3.25Å; E160-R162 PolarHBondContact O-N 2.78Å; E160-R163 PolarHBondContact O-N 2.86Å; E160-R163 VanDerWaalsContact O-N 3.15Å; E160-V164 WeakPolarHBondContact O-CG2 3.32Å; E160-V164 PolarHBondContact O-N 3.46Å
161	R	92.9	Very high	92.7	Very high	77 Å²	77	33.8 Å²	33.8	29%	0.291	19%	0.192	S	C	.	.	H	α-helix	trans	-57.9	-40.3	173.7	-75.8	-166.8	-72.5	-85.1	-7.4	111.9	L73 I153 L156 S157 G158 V164 A165	L73-R161 HydrophobicContact CD1-CB 4.45Å; L73-R161 WeakPolarHBondContact CD1-O 3.31Å; I153-R161 HydrophobicContact CG2-CG 4.26Å; L156-R161 HydrophobicContact CB-CG 3.78Å; L156-R161 HydrophobicContact CD1-CG 4.3Å; L156-R161 PolarHBondContact O-NH1 3.34Å; S157-R161 PolarHBondContact O-N 3.47Å; G158-R161 PolarHBondContact O-N 2.88Å; R161-V164 PolarHBondContact O-N 3.05Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.39Å
162	R	92.1	Very high	92.4	Very high	9 Å²	9	36.2 Å²	36.2	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-43.2	176.4	-179.8	177.4	-99.2	178.9	-43.4	112	Q69 P71 G158 G159 E160 A165 L166 D180 E181	Q69-R162 VanDerWaalsContact CA-NH2 3.27Å; Q69-R162 PolarHBondContact O-NE 2.86Å; Q69-R162 PolarHBondContact O-NH2 2.99Å; Q69-R162 VanDerWaalsContact O-NH2 3.14Å; P71-R162 HydrophobicContact CG-CB 4.06Å; P71-R162 HydrophobicContact CG-CG 4.39Å; G158-R162 PolarHBondContact O-N 3.36Å; G159-R162 WeakPolarHBondContact O-CB 3.29Å; G159-R162 PolarHBondContact O-N 2.87Å; E160-R162 VanDerWaalsContact C-N 3.25Å; E160-R162 PolarHBondContact O-N 2.78Å; R162-A165 PolarHBondContact O-N 3.06Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 PolarHBondContact O-N 2.84Å; R162-D180 PolarHBondContact NH2-O 2.85Å; R162-E181 PolarHBondContact NH2-O 3.44Å
163	R	93.2	Very high	91.9	Very high	15 Å²	15	38 Å²	38	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-41.3	176.3	-60.5	-162	-52.6	-82.7	-0.9	112	L144 R145 L146 G159 E160 L166 C167 L186 N351	L144-R163 WeakPolarHBondContact O-CD 3.27Å; L144-R163 PolarHBondContact O-NE 3.08Å; R145-R163 PolarHBondContact O-NE 2.83Å; R145-R163 VanDerWaalsContact O-NE 3.15Å; R145-R163 PolarHBondContact O-NH2 3.21Å; L146-R163 HydrophobicContact CD2-CB 3.76Å; L146-R163 WeakPolarHBondContact CD2-O 3.29Å; G159-R163 WeakPolarHBondContact O-CG 3.25Å; G159-R163 PolarHBondContact O-N 2.79Å; E160-R163 PolarHBondContact O-N 2.86Å; E160-R163 VanDerWaalsContact O-N 3.15Å; R163-L166 PolarHBondContact O-N 3.38Å; R163-C167 WeakPolarHBondContact O-CB 3.34Å; R163-C167 PolarHBondContact O-N 3.42Å; R163-L186 VanDerWaalsContact CD-CD2 3.41Å; R163-L186 HydrophobicContact CG-CD2 3.59Å; R163-N351 PolarHBondContact NH1-ND2 2.9Å
164	V	95.5	Very high	91.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-46.6	174.8	177.2	0	0	0	0	110.9	L73 V79 I83 L146 I153 L156 E160 R161 L166 C167 R168	L73-V164 HydrophobicContact CD1-CB 3.82Å; L73-V164 HydrophobicContact CD1-CG1 3.66Å; V79-V164 HydrophobicContact CG1-CG1 4.39Å; V79-V164 HydrophobicContact CG1-CG2 4Å; V79-V164 HydrophobicContact CG2-CG2 4.08Å; I83-V164 HydrophobicContact CD1-CG1 4.02Å; I83-V164 WeakPolarHBondContact CD1-O 3.48Å; I83-V164 HydrophobicContact CG1-CG1 4.27Å; L146-V164 HydrophobicContact CD2-CB 4.45Å; L146-V164 HydrophobicContact CD2-CG2 3.98Å; I153-V164 HydrophobicContact CD1-CG1 4.06Å; L156-V164 HydrophobicContact CD1-CG2 4.04Å; E160-V164 WeakPolarHBondContact O-CG2 3.32Å; E160-V164 PolarHBondContact O-N 3.46Å; R161-V164 PolarHBondContact O-N 3.05Å; V164-L166 PolarHBondContact O-N 3.2Å; V164-C167 PolarHBondContact O-N 2.73Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 PolarHBondContact O-N 3.02Å
165	A	95.4	Very high	91.7	Very high	9 Å²	9	39.7 Å²	39.7	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-39.9	178.8	0	0	0	0	0	112.7	L67 P71 L73 R161 R162 L169	L67-A165 HydrophobicContact CD1-CB 3.85Å; P71-A165 HydrophobicContact CB-CB 3.41Å; P71-A165 VanDerWaalsContact CB-CB 3.41Å; P71-A165 HydrophobicContact CG-CB 3.62Å; L73-A165 HydrophobicContact CD1-CB 4.2Å; L73-A165 HydrophobicContact CD2-CB 4.1Å; L73-A165 HydrophobicContact CG-CB 4.27Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.39Å; R162-A165 PolarHBondContact O-N 3.06Å; A165-L169 WeakPolarHBondContact O-CB 3.32Å; A165-L169 PolarHBondContact O-N 3.4Å
166	L	95.6	Very high	91.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-50.3	173.3	174.8	61.9	0	0	0	110.4	L67 L144 R162 R163 V164 R168 L169 L170 L179 P182 L186 L194	L67-L166 HydrophobicContact CD1-CB 4.48Å; L67-L166 HydrophobicContact CD2-CB 3.92Å; L67-L166 HydrophobicContact CD2-CD1 3.79Å; L67-L166 HydrophobicContact CD2-CG 4.34Å; L144-L166 HydrophobicContact CD1-CD2 4.24Å; L144-L166 HydrophobicContact CD1-CG 4.06Å; L144-L166 HydrophobicContact CD2-CD2 3.87Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 PolarHBondContact O-N 2.84Å; R163-L166 PolarHBondContact O-N 3.38Å; V164-L166 PolarHBondContact O-N 3.2Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.33Å; L166-L169 PolarHBondContact O-N 2.88Å; L166-L169 VanDerWaalsContact O-N 3.15Å; L166-L170 HydrophobicContact CD1-CD1 4.03Å; L166-L170 HydrophobicContact CD1-CD2 4.13Å; L166-L170 HydrophobicContact CD1-CG 3.95Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 HydrophobicContact CG-CG 4.39Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.42Å; L166-L179 HydrophobicContact CD1-CD2 4.41Å; L166-P182 HydrophobicContact CD1-CB 4.44Å; L166-L186 HydrophobicContact CD2-CD1 4.18Å; L166-L194 HydrophobicContact CD1-CD1 4.23Å; L166-L194 HydrophobicContact CD2-CD1 4.18Å; L166-L194 HydrophobicContact CD2-CD2 4.08Å
167	C	94.6	Very high	92	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-48	179.1	-172.6	0	0	0	0	111.8	I83 L144 L146 R163 V164 L169 L170 L171	I83-C167 HydrophobicContact CD1-CB 3.73Å; L144-C167 HydrophobicContact CD1-CB 3.53Å; L146-C167 HydrophobicContact CD1-CB 3.83Å; L146-C167 HydrophobicContact CD2-CB 4.12Å; L146-C167 HydrophobicContact CG-CB 4.4Å; R163-C167 WeakPolarHBondContact O-CB 3.34Å; R163-C167 PolarHBondContact O-N 3.42Å; V164-C167 PolarHBondContact O-N 2.73Å; C167-L169 VanDerWaalsContact C-N 3.34Å; C167-L169 PolarHBondContact O-N 3.12Å; C167-L170 PolarHBondContact O-N 2.94Å; C167-L171 WeakPolarHBondContact O-CG 3.19Å; C167-L171 PolarHBondContact O-N 3.17Å; C167-L171 VanDerWaalsContact O-N 3.11Å
168	R	94.3	Very high	92.5	Very high	58 Å²	58	30.4 Å²	30.4	22%	0.219	15%	0.154	C	C	.	.	H	α-helix	trans	-50.9	-54	173.6	-178.2	-170.5	167.9	142.9	5.6	110.9	S82 I83 E85 A86 V164 L166 L170 L171 E172	S82-R168 WeakPolarHBondContact O-CD 3.25Å; I83-R168 HydrophobicContact CD1-CB 3.96Å; E85-R168 IonicContact OE2-CZ 3.11Å; E85-R168 IonicContact OE2-NH1 2.88Å; E85-R168 PolarHBondContact OE2-NH1 3.3Å; E85-R168 IonicContact OE2-NH2 3.96Å; E85-R168 PolarHBondContact OE2-NH2 2.93Å; A86-R168 HydrophobicContact CB-CG 3.64Å; A86-R168 WeakPolarHBondContact CB-O 3.46Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 PolarHBondContact O-N 3.02Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 3.33Å; R168-L170 PolarHBondContact O-N 3.28Å; R168-L171 PolarHBondContact O-N 3.25Å; R168-L171 VanDerWaalsContact O-N 3.17Å; R168-E172 IonicContact NE-OE1 3.26Å; R168-E172 PolarHBondContact NE-OE1 2.86Å; R168-E172 WeakPolarHBondContact O-CG 3.45Å; R168-E172 PolarHBondContact O-N 3.39Å; R168-E172 VanDerWaalsContact O-N 3.14Å
169	L	94.2	Very high	93.1	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-40.8	-176.6	-174.4	63.7	0	0	0	113.1	L67 A165 L166 C167 L171 E172 L177 L179	L67-L169 HydrophobicContact CB-CD2 3.71Å; A165-L169 WeakPolarHBondContact O-CB 3.32Å; A165-L169 PolarHBondContact O-N 3.4Å; L166-L169 PolarHBondContact O-N 2.88Å; L166-L169 VanDerWaalsContact O-N 3.15Å; C167-L169 VanDerWaalsContact C-N 3.34Å; C167-L169 PolarHBondContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.82Å; L169-E172 PolarHBondContact O-N 3.17Å; L169-L177 HydrophobicContact CD1-CD2 4.41Å; L169-L177 HydrophobicContact CD2-CD2 3.93Å; L169-L177 HydrophobicContact CG-CD2 3.78Å; L169-L179 HydrophobicContact CD2-CD2 3.75Å
170	L	92.4	Very high	93.5	Very high	5 Å²	5	28 Å²	28	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-32.1	178.8	-63.1	-178.9	0	0	0	111.7	L144 L166 C167 R168 K173 L177 W193 L194 F197 L198	L144-L170 HydrophobicContact CD1-CD1 4.24Å; L166-L170 HydrophobicContact CD1-CD1 4.03Å; L166-L170 HydrophobicContact CD1-CD2 4.13Å; L166-L170 HydrophobicContact CD1-CG 3.95Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 HydrophobicContact CG-CG 4.39Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.42Å; C167-L170 PolarHBondContact O-N 2.94Å; R168-L170 PolarHBondContact O-N 3.28Å; L170-K173 PolarHBondContact O-N 3.48Å; L170-L177 HydrophobicContact CD2-CD1 3.95Å; L170-W193 HydrophobicContact CD1-CH2 4.14Å; L170-W193 HydrophobicContact CD1-CZ3 3.83Å; L170-L194 HydrophobicContact CD1-CD1 3.8Å; L170-F197 HydrophobicContact CB-CE1 3.96Å; L170-F197 HydrophobicContact CB-CZ 3.88Å; L170-F197 HydrophobicContact CD1-CD1 4.13Å; L170-F197 HydrophobicContact CD1-CE1 4.21Å; L170-F197 HydrophobicContact CD1-CG 4.49Å; L170-F197 HydrophobicContact CD2-CD1 3.97Å; L170-F197 HydrophobicContact CD2-CE1 3.64Å; L170-F197 HydrophobicContact CD2-CZ 4.44Å; L170-F197 HydrophobicContact CG-CD1 4.46Å; L170-F197 HydrophobicContact CG-CE1 4.11Å; L170-L198 HydrophobicContact CD2-CD2 4.08Å
171	L	90.2	Very high	93.5	Very high	25 Å²	25	25.7 Å²	25.7	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-75.1	-27.1	177	-69.7	167.8	0	0	0	113.2	I83 A86 V87 L137 A140 C167 R168 L169 K173	I83-L171 HydrophobicContact CG2-CD1 3.54Å; A86-L171 HydrophobicContact CB-CB 4.34Å; V87-L171 HydrophobicContact CG1-CB 4.23Å; L137-L171 HydrophobicContact CD2-CD1 3.49Å; L137-L171 VanDerWaalsContact CD2-CD1 3.49Å; L137-L171 HydrophobicContact CD2-CD2 4.28Å; L137-L171 HydrophobicContact CD2-CG 4.5Å; A140-L171 HydrophobicContact CB-CD2 4.24Å; C167-L171 WeakPolarHBondContact O-CG 3.19Å; C167-L171 PolarHBondContact O-N 3.17Å; C167-L171 VanDerWaalsContact O-N 3.11Å; R168-L171 PolarHBondContact O-N 3.25Å; R168-L171 VanDerWaalsContact O-N 3.17Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.82Å; L171-K173 PolarHBondContact O-N 2.92Å
172	E	89	Confident	93.5	Very high	79 Å²	79	22.1 Å²	22.1	37%	0.369	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	174.3	-68.8	177.2	-176.6	0	0	112.8	A86 R168 L169	A86-E172 HydrophobicContact CB-CG 3.35Å; R168-E172 IonicContact NE-OE1 3.26Å; R168-E172 PolarHBondContact NE-OE1 2.86Å; R168-E172 WeakPolarHBondContact O-CG 3.45Å; R168-E172 PolarHBondContact O-N 3.39Å; R168-E172 VanDerWaalsContact O-N 3.14Å; L169-E172 PolarHBondContact O-N 3.17Å
173	K	86.5	Confident	93.4	Very high	131 Å²	131	22.3 Å²	22.3	57%	0.57	11%	0.106	S	C	*	.			trans	44.4	57.7	-179	-63.5	179.3	-177.5	174.1	0	113.4	L170 L171	L170-K173 PolarHBondContact O-N 3.48Å; L171-K173 PolarHBondContact O-N 2.92Å
174	P	92.7	Very high	93.1	Very high	10 Å²	10	22.1 Å²	22.1	7%	0.065	11%	0.107	C	C	.	.			trans	-65.8	167	176	30.5	-36.1	0	0	0	111.6	K63 M176 L177 F201	K63-P174 HydrophobicContact CB-CB 4.26Å; K63-P174 WeakPolarHBondContact O-CB 3.49Å; P174-M176 VanDerWaalsContact C-N 3.3Å; P174-L177 HydrophobicContact CG-CD2 3.41Å; P174-L177 VanDerWaalsContact CG-CD2 3.41Å; P174-L177 HydrophobicContact CG-CG 3.99Å; P174-F201 WeakPolarHBondContact O-CZ 3.41Å
175	D	93.2	Very high	92.5	Very high	81 Å²	81	25 Å²	25	43%	0.433	12%	0.12	S	C	.	.	S	Bend	trans	-75.3	-23.9	175.4	-55.8	-64.5	0	0	0	112.3	I62 K63 G203 T204	I62-D175 HydrophobicContact CD1-CB 4.37Å; I62-D175 HydrophobicContact CG1-CB 3.63Å; K63-D175 WeakPolarHBondContact CB-OD2 3.37Å; K63-D175 PolarHBondContact N-OD2 3.11Å; K63-D175 PolarHBondContact O-N 3.37Å; D175-G203 CarbonylContact O-C 3.54Å; D175-G203 WeakPolarHBondContact O-CA 3.29Å; D175-T204 PolarHBondContact O-N 3.43Å
176	M	94.9	Very high	92.3	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.079	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.9	178.9	-175.3	177.2	-163.3	0	0	111.3	F22 M45 I62 K63 I64 G65 P174 L178 T204 V206	F22-M176 HydrophobicContact CD2-CE 4.16Å; M45-M176 HydrophobicContact CE-CE 3.5Å; I62-M176 HydrophobicContact CD1-CB 4.31Å; K63-M176 PolarHBondContact O-N 3.09Å; K63-M176 VanDerWaalsContact O-N 3.15Å; I64-M176 HydrophobicContact CG1-CB 4.38Å; G65-M176 PolarHBondContact N-O 2.85Å; P174-M176 VanDerWaalsContact C-N 3.3Å; M176-L178 HydrophobicContact CE-CD2 3.6Å; M176-L178 HydrophobicContact CG-CD2 4.25Å; M176-L178 HydrophobicContact SD-CD2 4.16Å; M176-T204 CarbonylContact C-O 3.32Å; M176-T204 VanDerWaalsContact CA-O 3.25Å; M176-T204 WeakPolarHBondContact CA-O 3.33Å; M176-T204 HydrophobicContact CE-CG2 4.07Å; M176-T204 HydrophobicContact CG-CG2 4.4Å; M176-V206 HydrophobicContact CE-CG2 3.47Å; M176-V206 VanDerWaalsContact CE-CG2 3.47Å
177	L	96.7	Very high	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.4	174	-72.4	171.8	0	0	0	110.7	L169 L170 P174 L179 L198 F201 T204 V205 V206	L169-L177 HydrophobicContact CD1-CD2 4.41Å; L169-L177 HydrophobicContact CD2-CD2 3.93Å; L169-L177 HydrophobicContact CG-CD2 3.78Å; L170-L177 HydrophobicContact CD2-CD1 3.95Å; P174-L177 HydrophobicContact CG-CD2 3.41Å; P174-L177 VanDerWaalsContact CG-CD2 3.41Å; P174-L177 HydrophobicContact CG-CG 3.99Å; L177-L179 HydrophobicContact CB-CD1 4.48Å; L177-L179 HydrophobicContact CB-CD2 4.41Å; L177-L179 HydrophobicContact CB-CG 4.24Å; L177-L198 HydrophobicContact CD1-CD2 3.57Å; L177-F201 HydrophobicContact CB-CE1 4.42Å; L177-F201 HydrophobicContact CD1-CD1 4.01Å; L177-F201 HydrophobicContact CD1-CD2 4.11Å; L177-F201 HydrophobicContact CD1-CE1 3.63Å; L177-F201 HydrophobicContact CD1-CE2 3.76Å; L177-F201 HydrophobicContact CD1-CG 4.2Å; L177-F201 HydrophobicContact CD1-CZ 3.47Å; L177-F201 VanDerWaalsContact CD1-CZ 3.47Å; L177-F201 HydrophobicContact CG-CE1 3.8Å; L177-F201 HydrophobicContact CG-CE2 4.34Å; L177-F201 HydrophobicContact CG-CZ 3.62Å; L177-T204 PolarHBondContact N-O 3.4Å; L177-V205 HydrophobicContact CB-CG1 4.46Å; L177-V205 HydrophobicContact CB-CG2 4.41Å; L177-V205 HydrophobicContact CD1-CG2 4.44Å; L177-V206 PolarHBondContact O-N 2.71Å
178	L	96.9	Very high	91.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.4	173.2	-61.5	-175.6	0	0	0	108	L42 M45 A46 I64 G65 Y66 L67 M176 V206	L42-L178 HydrophobicContact CD2-CB 3.94Å; L42-L178 HydrophobicContact CD2-CD2 3.92Å; L42-L178 HydrophobicContact CD2-CG 4.42Å; M45-L178 HydrophobicContact CB-CD1 3.76Å; M45-L178 HydrophobicContact CB-CD2 4.31Å; M45-L178 HydrophobicContact CE-CD2 3.76Å; A46-L178 HydrophobicContact CB-CD1 3.74Å; I64-L178 HydrophobicContact CG2-CD1 3.51Å; I64-L178 HydrophobicContact CG2-CG 3.84Å; G65-L178 WeakPolarHBondContact O-CB 3.47Å; G65-L178 PolarHBondContact O-N 3.29Å; Y66-L178 CarbonylContact C-O 3.23Å; Y66-L178 WeakPolarHBondContact CA-O 3.39Å; Y66-L178 HydrophobicContact CD2-CB 3.73Å; Y66-L178 WeakPolarHBondContact CD2-O 3.22Å; Y66-L178 HydrophobicContact CG-CB 4.47Å; L67-L178 PolarHBondContact N-O 2.85Å; M176-L178 HydrophobicContact CE-CD2 3.6Å; M176-L178 HydrophobicContact CG-CD2 4.25Å; M176-L178 HydrophobicContact SD-CD2 4.16Å; L178-V206 WeakPolarHBondContact CA-O 3.49Å; L178-V206 HydrophobicContact CD2-CB 3.81Å; L178-V206 HydrophobicContact CD2-CG2 4.06Å
179	L	97.2	Very high	91.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.3	-169.6	-56.1	177.9	0	0	0	110.8	L67 L166 L169 L177 P182 L198 V205 V206 A207 I208	L67-L179 HydrophobicContact CB-CD2 3.73Å; L67-L179 HydrophobicContact CD2-CD2 4.31Å; L166-L179 HydrophobicContact CD1-CD2 4.41Å; L169-L179 HydrophobicContact CD2-CD2 3.75Å; L177-L179 HydrophobicContact CB-CD1 4.48Å; L177-L179 HydrophobicContact CB-CD2 4.41Å; L177-L179 HydrophobicContact CB-CG 4.24Å; L179-P182 HydrophobicContact CB-CB 4.04Å; L179-P182 HydrophobicContact CB-CG 3.8Å; L179-P182 HydrophobicContact CD1-CB 4.33Å; L179-P182 HydrophobicContact CD1-CG 4.2Å; L179-L198 HydrophobicContact CD1-CD1 3.46Å; L179-L198 VanDerWaalsContact CD1-CD1 3.46Å; L179-L198 HydrophobicContact CD1-CD2 4.02Å; L179-L198 HydrophobicContact CD1-CG 4.44Å; L179-V205 HydrophobicContact CD1-CG1 4.22Å; L179-V206 PolarHBondContact N-O 2.81Å; L179-A207 HydrophobicContact CB-CB 4.19Å; L179-A207 CarbonylContact O-C 3.52Å; L179-A207 WeakPolarHBondContact O-CA 3.24Å; L179-I208 PolarHBondContact O-N 3.07Å
180	D	94.8	Very high	90.9	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	100.2	178.3	-159	-10.9	0	0	0	110.9	S39 L42 L67 R162 I208	S39-D180 WeakPolarHBondContact CA-OD2 3.41Å; S39-D180 WeakPolarHBondContact CB-OD2 3.46Å; S39-D180 PolarHBondContact OG-OD1 3.22Å; S39-D180 PolarHBondContact OG-OD2 3.41Å; L42-D180 HydrophobicContact CD1-CB 3.72Å; L67-D180 WeakPolarHBondContact O-CB 3.14Å; L67-D180 PolarHBondContact O-N 3.45Å; R162-D180 PolarHBondContact NH2-O 2.85Å; D180-I208 HydrophobicContact CB-CD1 4.48Å; D180-I208 WeakPolarHBondContact OD1-CD1 3.36Å
181	E	91.6	Very high	90.8	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.042	11%	0.114	C	C	.	.	S	Bend	trans	51.9	58.9	-177	-60.9	-68.6	167.6	0	0	112.5	R162 T183 N184 I208 T209 H210	R162-E181 PolarHBondContact NH2-O 3.44Å; E181-T183 PolarHBondContact O-N 3.31Å; E181-N184 PolarHBondContact O-N 3.28Å; E181-I208 WeakPolarHBondContact CA-O 3.37Å; E181-I208 HydrophobicContact CG-CG2 4.32Å; E181-I208 PolarHBondContact N-O 3.27Å; E181-I208 VanDerWaalsContact OE1-CG2 3.26Å; E181-I208 WeakPolarHBondContact OE1-CG2 3.44Å; E181-T209 VanDerWaalsContact OE2-CA 3.28Å; E181-T209 WeakPolarHBondContact OE2-CA 3.09Å; E181-H210 IonicContact OE1-CD2 3.46Å; E181-H210 PolarHBondContact OE1-CD2 3.12Å; E181-H210 IonicContact OE1-CE1 3.89Å; E181-H210 IonicContact OE1-CG 3.91Å; E181-H210 IonicContact OE1-ND1 3.03Å; E181-H210 IonicContact OE1-NE2 3.91Å; E181-H210 PolarHBondContact OE1-NE2 2.8Å; E181-H210 VanDerWaalsContact OE1-NE2 3.08Å; E181-H210 IonicContact OE2-CD2 2.68Å; E181-H210 PolarHBondContact OE2-N 2.93Å
182	P	93	Very high	90.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.9	-174.5	32.4	-37.3	0	0	0	113.1	L67 L166 L179 L186 L194 I208	L67-P182 HydrophobicContact CD2-CB 4.1Å; L166-P182 HydrophobicContact CD1-CB 4.44Å; L179-P182 HydrophobicContact CB-CB 4.04Å; L179-P182 HydrophobicContact CB-CG 3.8Å; L179-P182 HydrophobicContact CD1-CB 4.33Å; L179-P182 HydrophobicContact CD1-CG 4.2Å; P182-L186 WeakPolarHBondContact O-CD1 3.38Å; P182-L194 HydrophobicContact CB-CD2 3.95Å; P182-L194 HydrophobicContact CG-CD2 4.25Å; P182-I208 WeakPolarHBondContact CD-O 3.5Å
183	T	90.3	Very high	90.8	Very high	13 Å²	13	21.5 Å²	21.5	8%	0.08	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.4	179	52.9	0	0	0	0	113	E181 H185 L186 V191 T209 D211 F214	E181-T183 PolarHBondContact O-N 3.31Å; T183-H185 PolarHBondContact O-N 3.31Å; T183-L186 WeakPolarHBondContact O-CB 3.15Å; T183-L186 PolarHBondContact O-N 3.14Å; T183-L186 VanDerWaalsContact O-N 3.15Å; T183-V191 HydrophobicContact CG2-CG1 3.99Å; T183-V191 HydrophobicContact CG2-CG2 4.2Å; T183-T209 PolarHBondContact OG1-OG1 3.37Å; T183-D211 HydrophobicContact CG2-CB 4.08Å; T183-F214 HydrophobicContact CG2-CD2 4.23Å
184	N	86.8	Confident	91.1	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.059	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	135.2	179.1	-75.8	8.4	0	0	0	110.9	E181 L186 D467	E181-N184 PolarHBondContact O-N 3.28Å; N184-L186 PolarHBondContact O-N 3.3Å; N184-D467 PolarHBondContact ND2-OD1 2.78Å
185	H	83.3	Confident	91.1	Very high	60 Å²	60	16 Å²	16	28%	0.278	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	8	-177.1	-40.5	-61.2	0	0	0	115.5	T183 N351	T183-H185 PolarHBondContact O-N 3.31Å; H185-N351 PolarHBondContact O-ND2 3.46Å
186	L	89.3	Confident	91	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	8%	0.082	C	C	.	.			trans	-84.5	146.6	164.2	-62.6	-169.1	0	0	0	109.3	L144 R163 L166 P182 T183 N184 V191 L194 H492	L144-L186 HydrophobicContact CD2-CD1 4.28Å; L144-L186 HydrophobicContact CD2-CD2 4.2Å; R163-L186 VanDerWaalsContact CD-CD2 3.41Å; R163-L186 HydrophobicContact CG-CD2 3.59Å; L166-L186 HydrophobicContact CD2-CD1 4.18Å; P182-L186 WeakPolarHBondContact O-CD1 3.38Å; T183-L186 WeakPolarHBondContact O-CB 3.15Å; T183-L186 PolarHBondContact O-N 3.14Å; T183-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact O-N 3.3Å; L186-V191 HydrophobicContact CB-CG2 3.58Å; L186-V191 HydrophobicContact CD1-CG2 4.3Å; L186-L194 HydrophobicContact CD1-CB 4.41Å; L186-L194 HydrophobicContact CD1-CD2 3.8Å; L186-H492 VanDerWaalsContact O-CB 3.24Å; L186-H492 WeakPolarHBondContact O-CB 3.43Å; L186-H492 PolarHBondContact O-CD2 3.45Å; L186-H492 VanDerWaalsContact O-CG 3.32Å
187	D	88.1	Confident	90.8	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.027	9%	0.091	C	C	.	.			trans	-80.5	168.5	166.1	61.2	32.4	0	0	0	111.8	R145 E189 S190 V191 H492	R145-D187 WeakPolarHBondContact CD-OD2 3.5Å; R145-D187 IonicContact CZ-OD2 2.68Å; R145-D187 IonicContact NE-OD1 2.72Å; R145-D187 IonicContact NE-OD2 2.9Å; R145-D187 PolarHBondContact NE-OD2 2.87Å; R145-D187 IonicContact NH2-OD2 3.17Å; D187-E189 PolarHBondContact O-N 2.94Å; D187-E189 PolarHBondContact OD1-N 3Å; D187-S190 PolarHBondContact O-N 3.25Å; D187-S190 VanDerWaalsContact O-N 3.14Å; D187-S190 VanDerWaalsContact OD1-CB 3.22Å; D187-S190 WeakPolarHBondContact OD1-CB 3.42Å; D187-S190 PolarHBondContact OD1-N 2.88Å; D187-S190 PolarHBondContact OD1-OG 2.89Å; D187-V191 WeakPolarHBondContact O-CG2 3.33Å; D187-V191 PolarHBondContact O-N 3.05Å; D187-H492 VanDerWaalsContact CA-CE1 3.49Å; D187-H492 WeakPolarHBondContact CA-CE1 3.33Å; D187-H492 VanDerWaalsContact CA-ND1 3.34Å; D187-H492 WeakPolarHBondContact CA-ND1 3.4Å; D187-H492 WeakPolarHBondContact CB-CE1 3.48Å
188	A	85.8	Confident	90.7	Very high	8 Å²	8	20.4 Å²	20.4	7%	0.066	9%	0.091	C	C	.	.	H	α-helix	trans	-57.2	-36.3	-175.3	0	0	0	0	0	112.9	A192 R494 F520	A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 2.84Å; A188-R494 HydrophobicContact CB-CG 3.83Å; A188-F520 HydrophobicContact CB-CE2 4.12Å; A188-F520 HydrophobicContact CB-CZ 4.07Å
189	E	85.6	Confident	90.4	Very high	30 Å²	30	25.6 Å²	25.6	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-71.4	-42.4	178.6	-66.2	174.4	176.6	0	0	111.5	R145 D187 V191 A192 W193 K527 P538	R145-E189 IonicContact CZ-OE2 2.82Å; R145-E189 IonicContact NH2-OE2 2.76Å; R145-E189 PolarHBondContact NH2-OE2 3.41Å; D187-E189 PolarHBondContact O-N 2.94Å; D187-E189 PolarHBondContact OD1-N 3Å; E189-V191 VanDerWaalsContact C-N 3.35Å; E189-A192 PolarHBondContact O-N 2.81Å; E189-W193 PolarHBondContact O-N 3Å; E189-K527 IonicContact OE1-NZ 3.27Å; E189-K527 PolarHBondContact OE1-NZ 2.74Å; E189-P538 HydrophobicContact CB-CB 3.9Å; E189-P538 HydrophobicContact CB-CG 4.36Å
190	S	90.2	Very high	90.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-37.8	175.8	-52.8	0	0	0	0	111.5	A143 D187 W193 L194	A143-S190 WeakPolarHBondContact O-CB 3.45Å; A143-S190 PolarHBondContact O-OG 3.03Å; D187-S190 PolarHBondContact O-N 3.25Å; D187-S190 VanDerWaalsContact O-N 3.14Å; D187-S190 VanDerWaalsContact OD1-CB 3.22Å; D187-S190 WeakPolarHBondContact OD1-CB 3.42Å; D187-S190 PolarHBondContact OD1-N 2.88Å; D187-S190 PolarHBondContact OD1-OG 2.89Å; S190-W193 PolarHBondContact O-N 3.38Å; S190-L194 WeakPolarHBondContact O-CB 3.4Å; S190-L194 PolarHBondContact O-N 3.01Å
191	V	90.8	Very high	89.9	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-46.3	172.6	172.9	0	0	0	0	110.5	T183 L186 D187 E189 W193 L194 E195 D211	T183-V191 HydrophobicContact CG2-CG1 3.99Å; T183-V191 HydrophobicContact CG2-CG2 4.2Å; L186-V191 HydrophobicContact CB-CG2 3.58Å; L186-V191 HydrophobicContact CD1-CG2 4.3Å; D187-V191 WeakPolarHBondContact O-CG2 3.33Å; D187-V191 PolarHBondContact O-N 3.05Å; E189-V191 VanDerWaalsContact C-N 3.35Å; V191-W193 VanDerWaalsContact C-N 3.28Å; V191-W193 PolarHBondContact O-N 3.25Å; V191-L194 PolarHBondContact O-N 3.32Å; V191-E195 WeakPolarHBondContact O-CB 3.39Å; V191-E195 PolarHBondContact O-N 3.31Å; V191-D211 WeakPolarHBondContact CG1-OD2 3Å
192	A	87.9	Confident	89.9	Confident	8 Å²	8	40.9 Å²	40.9	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-35.3	178.3	0	0	0	0	0	112.3	A188 E189 R196	A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 2.84Å; E189-A192 PolarHBondContact O-N 2.81Å; A192-R196 WeakPolarHBondContact O-CG 3.42Å; A192-R196 PolarHBondContact O-N 3.46Å
193	W	90.6	Very high	89.8	Confident	60 Å²	60	41.5 Å²	41.5	23%	0.227	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-47.3	172.2	-179.8	92	0	0	0	112	A143 L144 L170 E189 S190 V191 E195 R196 F197 P538	A143-W193 HydrophobicContact CB-CB 4.48Å; A143-W193 HydrophobicContact CB-CD2 3.43Å; A143-W193 VanDerWaalsContact CB-CD2 3.43Å; A143-W193 HydrophobicContact CB-CE3 3.99Å; A143-W193 HydrophobicContact CB-CG 3.62Å; A143-W193 HydrophobicContact CB-CH2 4.44Å; A143-W193 HydrophobicContact CB-CZ2 3.92Å; A143-W193 HydrophobicContact CB-CZ3 4.47Å; L144-W193 HydrophobicContact CD1-CZ3 4.19Å; L144-W193 HydrophobicContact CD2-CE3 4.06Å; L144-W193 HydrophobicContact CD2-CZ3 4.01Å; L144-W193 HydrophobicContact CG-CE3 4.26Å; L144-W193 HydrophobicContact CG-CZ3 3.92Å; L170-W193 HydrophobicContact CD1-CH2 4.14Å; L170-W193 HydrophobicContact CD1-CZ3 3.83Å; E189-W193 PolarHBondContact O-N 3Å; S190-W193 PolarHBondContact O-N 3.38Å; V191-W193 VanDerWaalsContact C-N 3.28Å; V191-W193 PolarHBondContact O-N 3.25Å; W193-E195 VanDerWaalsContact C-N 3.26Å; W193-E195 PolarHBondContact O-N 3.47Å; W193-R196 PolarHBondContact O-N 2.91Å; W193-F197 HydrophobicContact CE3-CB 4.43Å; W193-F197 HydrophobicContact CH2-CB 4.25Å; W193-F197 AromaticContact CH2-CD2 3.61Å; W193-F197 HydrophobicContact CH2-CD2 3.61Å; W193-F197 HydrophobicContact CH2-CE2 4.24Å; W193-F197 HydrophobicContact CH2-CG 4.05Å; W193-F197 HydrophobicContact CZ2-CB 4.49Å; W193-F197 AromaticContact CZ2-CD2 3.8Å; W193-F197 HydrophobicContact CZ2-CD2 3.8Å; W193-F197 HydrophobicContact CZ2-CG 4.47Å; W193-F197 HydrophobicContact CZ3-CB 4.22Å; W193-F197 HydrophobicContact CZ3-CD2 4.35Å; W193-F197 HydrophobicContact CZ3-CG 4.34Å; W193-F197 PolarHBondContact O-N 2.99Å; W193-P538 HydrophobicContact CB-CG 4.04Å
194	L	93.3	Very high	90	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-39.2	178.9	179.7	66.1	0	0	0	111.5	L166 L170 P182 L186 S190 V191 F197 L198 F214	L166-L194 HydrophobicContact CD1-CD1 4.23Å; L166-L194 HydrophobicContact CD2-CD1 4.18Å; L166-L194 HydrophobicContact CD2-CD2 4.08Å; L170-L194 HydrophobicContact CD1-CD1 3.8Å; P182-L194 HydrophobicContact CB-CD2 3.95Å; P182-L194 HydrophobicContact CG-CD2 4.25Å; L186-L194 HydrophobicContact CD1-CB 4.41Å; L186-L194 HydrophobicContact CD1-CD2 3.8Å; S190-L194 WeakPolarHBondContact O-CB 3.4Å; S190-L194 PolarHBondContact O-N 3.01Å; V191-L194 PolarHBondContact O-N 3.32Å; L194-F197 PolarHBondContact O-N 2.85Å; L194-L198 HydrophobicContact CD1-CD1 3.76Å; L194-L198 HydrophobicContact CD1-CG 3.97Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L198 HydrophobicContact CG-CD1 3.85Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 3.15Å; L194-F214 HydrophobicContact CD2-CE2 4.48Å; L194-F214 HydrophobicContact CG-CE2 4.34Å
195	E	92.2	Very high	90.5	Very high	24 Å²	24	41.1 Å²	41.1	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-55.3	-52	174.5	-169.7	-170.9	113.2	0	0	111.2	V191 W193 L198 H199 F214 N217 V218 R494	V191-E195 WeakPolarHBondContact O-CB 3.39Å; V191-E195 PolarHBondContact O-N 3.31Å; W193-E195 VanDerWaalsContact C-N 3.26Å; W193-E195 PolarHBondContact O-N 3.47Å; E195-L198 PolarHBondContact O-N 2.92Å; E195-H199 VanDerWaalsContact O-CB 3.31Å; E195-H199 WeakPolarHBondContact O-CB 3.4Å; E195-H199 PolarHBondContact O-N 2.78Å; E195-F214 HydrophobicContact CB-CD2 4.15Å; E195-F214 HydrophobicContact CG-CD2 4.33Å; E195-N217 HydrophobicContact CG-CB 4.16Å; E195-N217 VanDerWaalsContact OE1-CB 3.26Å; E195-N217 WeakPolarHBondContact OE1-CB 3.4Å; E195-N217 PolarHBondContact OE1-ND2 3.26Å; E195-N217 PolarHBondContact OE2-ND2 2.81Å; E195-V218 HydrophobicContact CB-CG2 4.22Å; E195-V218 HydrophobicContact CG-CG2 3.36Å; E195-V218 WeakPolarHBondContact O-CG2 3.46Å; E195-R494 IonicContact OE2-CZ 3.84Å; E195-R494 IonicContact OE2-NH1 3.75Å; E195-R494 PolarHBondContact OE2-NH1 3.23Å; E195-R494 IonicContact OE2-NH2 3.29Å; E195-R494 PolarHBondContact OE2-NH2 3.11Å
196	R	90.9	Very high	91.1	Very high	129 Å²	129	38.2 Å²	38.2	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-44.5	178	-65.4	173	-162.8	150.5	8.1	111.8	A192 W193 L198 H199 D200	A192-R196 WeakPolarHBondContact O-CG 3.42Å; A192-R196 PolarHBondContact O-N 3.46Å; W193-R196 PolarHBondContact O-N 2.91Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 2.75Å; R196-H199 PolarHBondContact O-N 3.03Å; R196-D200 PolarHBondContact O-N 3.16Å
197	F	92.5	Very high	91.4	Very high	61 Å²	61	38.2 Å²	38.2	27%	0.268	18%	0.181	S	C	.	.	H	α-helix	trans	-57.5	-47.5	178.3	-175.8	-79.6	0	0	0	111.4	L170 W193 L194 D200 F201	L170-F197 HydrophobicContact CB-CE1 3.96Å; L170-F197 HydrophobicContact CB-CZ 3.88Å; L170-F197 HydrophobicContact CD1-CD1 4.13Å; L170-F197 HydrophobicContact CD1-CE1 4.21Å; L170-F197 HydrophobicContact CD1-CG 4.49Å; L170-F197 HydrophobicContact CD2-CD1 3.97Å; L170-F197 HydrophobicContact CD2-CE1 3.64Å; L170-F197 HydrophobicContact CD2-CZ 4.44Å; L170-F197 HydrophobicContact CG-CD1 4.46Å; L170-F197 HydrophobicContact CG-CE1 4.11Å; W193-F197 HydrophobicContact CE3-CB 4.43Å; W193-F197 HydrophobicContact CH2-CB 4.25Å; W193-F197 AromaticContact CH2-CD2 3.61Å; W193-F197 HydrophobicContact CH2-CD2 3.61Å; W193-F197 HydrophobicContact CH2-CE2 4.24Å; W193-F197 HydrophobicContact CH2-CG 4.05Å; W193-F197 HydrophobicContact CZ2-CB 4.49Å; W193-F197 AromaticContact CZ2-CD2 3.8Å; W193-F197 HydrophobicContact CZ2-CD2 3.8Å; W193-F197 HydrophobicContact CZ2-CG 4.47Å; W193-F197 HydrophobicContact CZ3-CB 4.22Å; W193-F197 HydrophobicContact CZ3-CD2 4.35Å; W193-F197 HydrophobicContact CZ3-CG 4.34Å; W193-F197 PolarHBondContact O-N 2.99Å; L194-F197 PolarHBondContact O-N 2.85Å; F197-D200 PolarHBondContact O-N 3.25Å; F197-F201 HydrophobicContact CE1-CD2 4.13Å; F197-F201 WeakPolarHBondContact O-CB 3.44Å; F197-F201 PolarHBondContact O-N 2.81Å
198	L	93.2	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-77.1	-25.9	-177.7	-67	177.8	0	0	0	113.1	K27 L170 L177 L179 L194 E195 R196 V205 F214 V218	K27-L198 WeakPolarHBondContact CD-O 3.4Å; K27-L198 WeakPolarHBondContact CE-O 3.46Å; L170-L198 HydrophobicContact CD2-CD2 4.08Å; L177-L198 HydrophobicContact CD1-CD2 3.57Å; L179-L198 HydrophobicContact CD1-CD1 3.46Å; L179-L198 VanDerWaalsContact CD1-CD1 3.46Å; L179-L198 HydrophobicContact CD1-CD2 4.02Å; L179-L198 HydrophobicContact CD1-CG 4.44Å; L194-L198 HydrophobicContact CD1-CD1 3.76Å; L194-L198 HydrophobicContact CD1-CG 3.97Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L198 HydrophobicContact CG-CD1 3.85Å; L194-L198 HydrophobicContact CG-CG 4.35Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 WeakPolarHBondContact O-CG 3.3Å; L194-L198 PolarHBondContact O-N 3.15Å; E195-L198 PolarHBondContact O-N 2.92Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 2.75Å; L198-V205 HydrophobicContact CD1-CG1 4.42Å; L198-V205 HydrophobicContact CD2-CG1 4.31Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; L198-F214 HydrophobicContact CB-CZ 4.4Å; L198-F214 HydrophobicContact CD1-CE2 3.78Å; L198-F214 HydrophobicContact CD1-CZ 3.53Å; L198-V218 HydrophobicContact CB-CG1 4.22Å
199	H	91.1	Very high	92	Very high	110 Å²	110	37.6 Å²	37.6	51%	0.509	18%	0.177	S	C	.	.	H	α-helix	trans	-62.3	-48.4	169.3	176.2	-83.4	0	0	0	111	E195 R196 F201	E195-H199 VanDerWaalsContact O-CB 3.31Å; E195-H199 WeakPolarHBondContact O-CB 3.4Å; E195-H199 PolarHBondContact O-N 2.78Å; R196-H199 PolarHBondContact O-N 3.03Å; H199-F201 VanDerWaalsContact C-N 3.29Å; H199-F201 PolarHBondContact O-N 2.68Å
200	D	90.3	Very high	92	Very high	121 Å²	121	36.8 Å²	36.8	65%	0.647	17%	0.173	S	C	*	.	H	α-helix	trans	-82.8	-6.2	-176.5	-63.3	-18.1	0	0	0	113.5	R196 F197 E202	R196-D200 PolarHBondContact O-N 3.16Å; F197-D200 PolarHBondContact O-N 3.25Å; D200-E202 PolarHBondContact O-N 3.46Å
201	F	92.2	Very high	92	Very high	24 Å²	24	37 Å²	37	11%	0.105	18%	0.175	C	C	.	.			trans	-63.8	123.3	178.3	-175	-106.6	0	0	0	111.1	K27 P174 L177 F197 H199 G203 V205	K27-F201 WeakPolarHBondContact CE-O 3.39Å; K27-F201 PolarHBondContact NZ-O 2.99Å; P174-F201 WeakPolarHBondContact O-CZ 3.41Å; L177-F201 HydrophobicContact CB-CE1 4.42Å; L177-F201 HydrophobicContact CD1-CD1 4.01Å; L177-F201 HydrophobicContact CD1-CD2 4.11Å; L177-F201 HydrophobicContact CD1-CE1 3.63Å; L177-F201 HydrophobicContact CD1-CE2 3.76Å; L177-F201 HydrophobicContact CD1-CG 4.2Å; L177-F201 HydrophobicContact CD1-CZ 3.47Å; L177-F201 VanDerWaalsContact CD1-CZ 3.47Å; L177-F201 HydrophobicContact CG-CE1 3.8Å; L177-F201 HydrophobicContact CG-CE2 4.34Å; L177-F201 HydrophobicContact CG-CZ 3.62Å; F197-F201 HydrophobicContact CE1-CD2 4.13Å; F197-F201 WeakPolarHBondContact O-CB 3.44Å; F197-F201 PolarHBondContact O-N 2.81Å; H199-F201 VanDerWaalsContact C-N 3.29Å; H199-F201 PolarHBondContact O-N 2.68Å; F201-G203 VanDerWaalsContact C-N 3.31Å; F201-G203 WeakPolarHBondContact CD1-O 3.4Å; F201-G203 PolarHBondContact O-N 2.63Å; F201-V205 HydrophobicContact CB-CG2 4.41Å; F201-V205 HydrophobicContact CD1-CG2 3.49Å; F201-V205 VanDerWaalsContact CD1-CG2 3.49Å; F201-V205 HydrophobicContact CE1-CG2 4.09Å; F201-V205 HydrophobicContact CG-CG2 4.29Å
202	E	89.8	Confident	92.1	Very high	187 Å²	187	36.9 Å²	36.9	87%	0.874	17%	0.174	S	C	*	.	S	Bend	trans	-69.4	-29.3	-176.3	-62.3	-174.2	164.7	0	0	113.1	G25 D200	G25-E202 WeakPolarHBondContact CA-O 3.49Å; D200-E202 PolarHBondContact O-N 3.46Å
203	G	92.1	Very high	92.3	Very high	15 Å²	15	38 Å²	38	16%	0.155	18%	0.176	C	C	.	.	S	Bend	trans	-75.4	-179.7	-178.8	0	0	0	0	0	114.3	K27 D175 F201	K27-G203 PolarHBondContact NZ-O 2.89Å; D175-G203 CarbonylContact O-C 3.54Å; D175-G203 WeakPolarHBondContact O-CA 3.29Å; F201-G203 VanDerWaalsContact C-N 3.31Å; F201-G203 WeakPolarHBondContact CD1-O 3.4Å; F201-G203 PolarHBondContact O-N 2.63Å
204	T	94.7	Very high	92.3	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.9	177.4	-54.1	0	0	0	0	109.9	F22 G25 A26 I28 D175 M176 L177 V206	F22-T204 HydrophobicContact CB-CG2 4.29Å; G25-T204 PolarHBondContact N-OG1 3.11Å; A26-T204 HydrophobicContact CB-CG2 4.37Å; A26-T204 CarbonylContact O-C 3.57Å; A26-T204 WeakPolarHBondContact O-CA 3.37Å; A26-T204 WeakPolarHBondContact O-CG2 3.34Å; I28-T204 HydrophobicContact CD1-CG2 4.21Å; D175-T204 PolarHBondContact O-N 3.43Å; M176-T204 CarbonylContact C-O 3.32Å; M176-T204 VanDerWaalsContact CA-O 3.25Å; M176-T204 WeakPolarHBondContact CA-O 3.33Å; M176-T204 HydrophobicContact CE-CG2 4.07Å; M176-T204 HydrophobicContact CG-CG2 4.4Å; L177-T204 PolarHBondContact N-O 3.4Å; T204-V206 HydrophobicContact CG2-CG2 4.47Å
205	V	96	Very high	92.3	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.4	175.8	-175.8	0	0	0	0	109.1	A26 K27 I28 L177 L179 L198 F201 A207	A26-V205 PolarHBondContact O-N 3.25Å; K27-V205 HydrophobicContact CD-CB 3.65Å; K27-V205 HydrophobicContact CD-CG2 3.52Å; I28-V205 PolarHBondContact N-O 2.7Å; L177-V205 HydrophobicContact CB-CG1 4.46Å; L177-V205 HydrophobicContact CB-CG2 4.41Å; L177-V205 HydrophobicContact CD1-CG2 4.44Å; L179-V205 HydrophobicContact CD1-CG1 4.22Å; L198-V205 HydrophobicContact CD1-CG1 4.42Å; L198-V205 HydrophobicContact CD2-CG1 4.31Å; L198-V205 HydrophobicContact CD2-CG2 4.18Å; F201-V205 HydrophobicContact CB-CG2 4.41Å; F201-V205 HydrophobicContact CD1-CG2 3.49Å; F201-V205 VanDerWaalsContact CD1-CG2 3.49Å; F201-V205 HydrophobicContact CE1-CG2 4.09Å; F201-V205 HydrophobicContact CG-CG2 4.29Å; V205-A207 HydrophobicContact CG1-CB 4.35Å
206	V	96.2	Very high	92.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	105.4	170.3	-172.7	0	0	0	0	107.3	I28 V30 L42 M45 M176 L177 L178 L179 T204	I28-V206 HydrophobicContact CB-CG2 4.32Å; I28-V206 HydrophobicContact CD1-CG2 3.85Å; I28-V206 HydrophobicContact CG2-CG1 4.44Å; I28-V206 WeakPolarHBondContact O-CA 3.28Å; V30-V206 HydrophobicContact CG2-CG1 3.54Å; L42-V206 HydrophobicContact CD2-CB 4.24Å; L42-V206 HydrophobicContact CD2-CG1 3.85Å; M45-V206 HydrophobicContact CE-CB 4.37Å; M45-V206 HydrophobicContact CE-CG1 4.25Å; M45-V206 HydrophobicContact CE-CG2 3.9Å; M176-V206 HydrophobicContact CE-CG2 3.47Å; M176-V206 VanDerWaalsContact CE-CG2 3.47Å; L177-V206 PolarHBondContact O-N 2.71Å; L178-V206 WeakPolarHBondContact CA-O 3.49Å; L178-V206 HydrophobicContact CD2-CB 3.81Å; L178-V206 HydrophobicContact CD2-CG2 4.06Å; L179-V206 PolarHBondContact N-O 2.81Å; T204-V206 HydrophobicContact CG2-CG2 4.47Å
207	A	96.3	Very high	92.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128	-176.5	0	0	0	0	0	110.2	I28 G29 V30 L179 V205 F214	I28-A207 PolarHBondContact O-N 3.44Å; G29-A207 CarbonylContact C-O 3.49Å; G29-A207 WeakPolarHBondContact CA-O 3.47Å; V30-A207 PolarHBondContact N-O 3.36Å; L179-A207 HydrophobicContact CB-CB 4.19Å; L179-A207 CarbonylContact O-C 3.52Å; L179-A207 WeakPolarHBondContact O-CA 3.24Å; V205-A207 HydrophobicContact CG1-CB 4.35Å; A207-F214 HydrophobicContact CB-CE1 4.04Å; A207-F214 HydrophobicContact CB-CZ 4.4Å
208	I	94.8	Very high	92.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.8	159.1	-56.1	163.1	0	0	0	105.6	V30 K38 L42 L179 D180 E181 P182	V30-I208 HydrophobicContact CB-CG1 3.83Å; V30-I208 HydrophobicContact CG1-CG1 4.16Å; K38-I208 HydrophobicContact CB-CD1 3.46Å; K38-I208 VanDerWaalsContact CB-CD1 3.46Å; K38-I208 HydrophobicContact CB-CG1 3.91Å; K38-I208 HydrophobicContact CB-CG2 4.14Å; K38-I208 HydrophobicContact CD-CG2 3.81Å; K38-I208 VanDerWaalsContact CE-CG2 3.41Å; L42-I208 HydrophobicContact CD1-CD1 3.22Å; L42-I208 HydrophobicContact CD1-CG1 3.73Å; L42-I208 HydrophobicContact CG-CD1 3.77Å; L42-I208 HydrophobicContact CG-CG1 4.24Å; L179-I208 PolarHBondContact O-N 3.07Å; D180-I208 HydrophobicContact CB-CD1 4.48Å; D180-I208 WeakPolarHBondContact OD1-CD1 3.36Å; E181-I208 WeakPolarHBondContact CA-O 3.37Å; E181-I208 HydrophobicContact CG-CG2 4.32Å; E181-I208 PolarHBondContact N-O 3.27Å; E181-I208 VanDerWaalsContact OE1-CG2 3.26Å; E181-I208 WeakPolarHBondContact OE1-CG2 3.44Å; P182-I208 WeakPolarHBondContact CD-O 3.5Å
209	T	90.9	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.			trans	-151.3	148.8	174.5	175.9	0	0	0	0	109.6	E181 T183 D211 F214 L215	E181-T209 VanDerWaalsContact OE2-CA 3.28Å; E181-T209 WeakPolarHBondContact OE2-CA 3.09Å; T183-T209 PolarHBondContact OG1-OG1 3.37Å; T209-D211 WeakPolarHBondContact OG1-CB 3.3Å; T209-D211 PolarHBondContact OG1-N 3.04Å; T209-F214 HydrophobicContact CG2-CD1 3.52Å; T209-F214 HydrophobicContact CG2-CE1 4.02Å; T209-F214 HydrophobicContact CG2-CG 4.28Å; T209-L215 HydrophobicContact CG2-CD1 4.15Å; T209-L215 HydrophobicContact CG2-CD2 3.44Å; T209-L215 VanDerWaalsContact CG2-CD2 3.44Å; T209-L215 HydrophobicContact CG2-CG 3.52Å
210	H	86.6	Confident	92.4	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.056	15%	0.154	C	C	.	.			trans	-97.3	-4.7	167.8	-65.1	-44.7	0	0	0	113.3	E181 R212 L468 D469 I470	E181-H210 IonicContact OE1-CD2 3.46Å; E181-H210 PolarHBondContact OE1-CD2 3.12Å; E181-H210 IonicContact OE1-CE1 3.89Å; E181-H210 IonicContact OE1-CG 3.91Å; E181-H210 IonicContact OE1-ND1 3.03Å; E181-H210 IonicContact OE1-NE2 3.91Å; E181-H210 PolarHBondContact OE1-NE2 2.8Å; E181-H210 VanDerWaalsContact OE1-NE2 3.08Å; E181-H210 IonicContact OE2-CD2 2.68Å; E181-H210 PolarHBondContact OE2-N 2.93Å; H210-R212 PolarHBondContact O-N 3.08Å; H210-L468 PolarHBondContact CD2-O 2.91Å; H210-L468 PolarHBondContact NE2-O 3.46Å; H210-D469 VanDerWaalsContact CE1-CA 3.5Å; H210-D469 WeakPolarHBondContact CE1-CA 3.22Å; H210-I470 HydrophobicContact CB-CG1 4.42Å
211	D	90.7	Very high	92.7	Very high	7 Å²	7	26 Å²	26	4%	0.037	14%	0.137	C	C	.	.			trans	-72.3	109.6	172.6	-170.9	-54.4	0	0	0	110.1	T183 V191 T209 Y213 F214 L215 R494	T183-D211 HydrophobicContact CG2-CB 4.08Å; V191-D211 WeakPolarHBondContact CG1-OD2 3Å; T209-D211 WeakPolarHBondContact OG1-CB 3.3Å; T209-D211 PolarHBondContact OG1-N 3.04Å; D211-Y213 PolarHBondContact OD1-N 3.38Å; D211-F214 HydrophobicContact CB-CB 3.84Å; D211-F214 WeakPolarHBondContact O-CB 3.11Å; D211-F214 PolarHBondContact O-N 2.81Å; D211-F214 PolarHBondContact OD1-N 3.16Å; D211-L215 WeakPolarHBondContact O-CG 3.38Å; D211-L215 PolarHBondContact O-N 3.26Å; D211-L215 VanDerWaalsContact O-N 3.12Å; D211-R494 IonicContact OD1-NH2 2.69Å; D211-R494 IonicContact OD2-NH2 3.83Å
212	R	92.1	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72.5	-32.7	-176.3	-75.3	167.8	-73.7	-179.8	-1.5	113.2	H210 F214 L215 D216 Y237 E265 I470 E477 D493 W495	H210-R212 PolarHBondContact O-N 3.08Å; R212-F214 VanDerWaalsContact C-N 3.34Å; R212-L215 PolarHBondContact O-N 3.32Å; R212-D216 VanDerWaalsContact O-CB 3.26Å; R212-D216 WeakPolarHBondContact O-CB 3.26Å; R212-D216 PolarHBondContact O-N 3.42Å; R212-Y237 HydrophobicContact CB-CD1 3.97Å; R212-Y237 HydrophobicContact CB-CE1 3.95Å; R212-Y237 HydrophobicContact CB-CG 4.43Å; R212-Y237 VanDerWaalsContact CD-CE1 3.47Å; R212-Y237 VanDerWaalsContact CD-OH 3.26Å; R212-Y237 WeakPolarHBondContact CD-OH 3.22Å; R212-Y237 HydrophobicContact CG-CD1 3.95Å; R212-Y237 HydrophobicContact CG-CD2 4.21Å; R212-Y237 HydrophobicContact CG-CE1 3.55Å; R212-Y237 HydrophobicContact CG-CE2 3.83Å; R212-Y237 HydrophobicContact CG-CG 4.27Å; R212-Y237 VanDerWaalsContact CG-CZ 3.5Å; R212-E265 WeakPolarHBondContact CD-OE1 3.29Å; R212-E265 IonicContact CZ-OE1 2.78Å; R212-E265 IonicContact NH1-OE1 3.88Å; R212-E265 PolarHBondContact NH1-OE1 3.16Å; R212-I470 HydrophobicContact CG-CD1 4.28Å; R212-E477 IonicContact CZ-OE1 2.86Å; R212-E477 VanDerWaalsContact CZ-OE1 3.29Å; R212-E477 IonicContact CZ-OE2 3.69Å; R212-E477 IonicContact NH1-OE1 2.83Å; R212-E477 PolarHBondContact NH1-OE1 2.93Å; R212-E477 VanDerWaalsContact NH1-OE1 3.11Å; R212-E477 IonicContact NH1-OE2 3.85Å; R212-E477 PolarHBondContact NH1-OE2 2.98Å; R212-E477 IonicContact NH2-OE1 2.95Å; R212-E477 PolarHBondContact NH2-OE1 3.3Å; R212-E477 IonicContact NH2-OE2 2.93Å; R212-D493 IonicContact NH2-OD2 3.44Å; R212-W495 HydrophobicContact CB-CB 4.25Å; R212-W495 HydrophobicContact CB-CD2 3.77Å; R212-W495 HydrophobicContact CB-CE3 3.73Å; R212-W495 HydrophobicContact CB-CG 4.03Å; R212-W495 HydrophobicContact CB-CZ3 4.29Å; R212-W495 VanDerWaalsContact NH1-NE1 3.16Å
213	Y	91.2	Very high	93	Very high	30 Å²	30	16.1 Å²	16.1	12%	0.118	9%	0.092	C	C	.	.	H	α-helix	trans	-68.3	-39.3	174.9	-79.6	-46.8	0	0	0	111	D211 L215 D216 N217 R494 W495 D498	D211-Y213 PolarHBondContact OD1-N 3.38Å; Y213-L215 VanDerWaalsContact C-N 3.33Å; Y213-L215 PolarHBondContact O-N 3.33Å; Y213-D216 PolarHBondContact O-N 3.2Å; Y213-N217 VanDerWaalsContact O-CB 3.26Å; Y213-N217 WeakPolarHBondContact O-CB 3.4Å; Y213-N217 PolarHBondContact O-N 2.9Å; Y213-N217 PolarHBondContact O-ND2 2.87Å; Y213-R494 HydrophobicContact CD2-CB 3.71Å; Y213-R494 HydrophobicContact CE2-CB 4.04Å; Y213-W495 AromaticContact CD1-CE3 3.49Å; Y213-W495 HydrophobicContact CD1-CE3 3.49Å; Y213-W495 VanDerWaalsContact CD1-CE3 3.49Å; Y213-W495 AromaticContact CD1-CZ3 3.9Å; Y213-W495 HydrophobicContact CD1-CZ3 3.9Å; Y213-W495 HydrophobicContact CD2-CB 3.98Å; Y213-W495 HydrophobicContact CD2-CE3 4.36Å; Y213-W495 HydrophobicContact CE1-CD2 4.4Å; Y213-W495 AromaticContact CE1-CE3 3.42Å; Y213-W495 HydrophobicContact CE1-CE3 3.42Å; Y213-W495 VanDerWaalsContact CE1-CE3 3.42Å; Y213-W495 AromaticContact CE1-CZ3 3.79Å; Y213-W495 HydrophobicContact CE1-CZ3 3.79Å; Y213-W495 HydrophobicContact CE2-CB 4.01Å; Y213-W495 HydrophobicContact CE2-CE3 4.35Å; Y213-W495 AromaticContact CG-CE3 3.96Å; Y213-W495 HydrophobicContact CG-CE3 3.96Å; Y213-W495 AromaticContact CZ-CE3 3.9Å; Y213-D498 WeakPolarHBondContact CE2-OD2 3.45Å; Y213-D498 PolarHBondContact OH-OD2 2.74Å
214	F	91.5	Very high	93.1	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.022	9%	0.085	C	C	.	.	H	α-helix	trans	-56.5	-49.5	172.2	-178.2	-77	0	0	0	110.9	T183 L194 E195 L198 A207 T209 D211 R212 D216 N217 V218	T183-F214 HydrophobicContact CG2-CD2 4.23Å; L194-F214 HydrophobicContact CD2-CE2 4.48Å; L194-F214 HydrophobicContact CG-CE2 4.34Å; E195-F214 HydrophobicContact CB-CD2 4.15Å; E195-F214 HydrophobicContact CG-CD2 4.33Å; L198-F214 HydrophobicContact CB-CZ 4.4Å; L198-F214 HydrophobicContact CD1-CE2 3.78Å; L198-F214 HydrophobicContact CD1-CZ 3.53Å; A207-F214 HydrophobicContact CB-CE1 4.04Å; A207-F214 HydrophobicContact CB-CZ 4.4Å; T209-F214 HydrophobicContact CG2-CD1 3.52Å; T209-F214 HydrophobicContact CG2-CE1 4.02Å; T209-F214 HydrophobicContact CG2-CG 4.28Å; D211-F214 HydrophobicContact CB-CB 3.84Å; D211-F214 WeakPolarHBondContact O-CB 3.11Å; D211-F214 PolarHBondContact O-N 2.81Å; D211-F214 PolarHBondContact OD1-N 3.16Å; R212-F214 VanDerWaalsContact C-N 3.34Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.27Å; F214-N217 PolarHBondContact O-N 3.41Å; F214-V218 HydrophobicContact CD1-CB 4.42Å; F214-V218 HydrophobicContact CD1-CG2 4.46Å; F214-V218 HydrophobicContact CD2-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CB 4.19Å; F214-V218 HydrophobicContact CE1-CG1 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.39Å; F214-V218 HydrophobicContact CE2-CG2 4.2Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CB 4.37Å; F214-V218 HydrophobicContact CZ-CG1 4.29Å; F214-V218 HydrophobicContact CZ-CG2 4.25Å; F214-V218 VanDerWaalsContact O-CB 3.26Å; F214-V218 WeakPolarHBondContact O-CB 3.35Å; F214-V218 WeakPolarHBondContact O-CG2 3.5Å; F214-V218 PolarHBondContact O-N 3.22Å
215	L	93	Very high	92.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.2	-33.2	178.5	-67.7	167.9	0	0	0	112.8	L31 T209 D211 R212 Y213 A219 I222 Y237 I470	L31-L215 HydrophobicContact CD2-CD1 3.56Å; L31-L215 HydrophobicContact CG-CD1 4.42Å; T209-L215 HydrophobicContact CG2-CD1 4.15Å; T209-L215 HydrophobicContact CG2-CD2 3.44Å; T209-L215 VanDerWaalsContact CG2-CD2 3.44Å; T209-L215 HydrophobicContact CG2-CG 3.52Å; D211-L215 WeakPolarHBondContact O-CG 3.38Å; D211-L215 PolarHBondContact O-N 3.26Å; D211-L215 VanDerWaalsContact O-N 3.12Å; R212-L215 PolarHBondContact O-N 3.32Å; Y213-L215 VanDerWaalsContact C-N 3.33Å; Y213-L215 PolarHBondContact O-N 3.33Å; L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.89Å; L215-I222 HydrophobicContact CD2-CD1 4.17Å; L215-Y237 HydrophobicContact CB-CG 4.45Å; L215-Y237 HydrophobicContact CD1-CD2 4.2Å; L215-I470 HydrophobicContact CD1-CD1 4.03Å
216	D	93.3	Very high	92.4	Very high	34 Å²	34	16.3 Å²	16.3	18%	0.182	9%	0.089	C	C	.	.	H	α-helix	trans	-74.3	-34.6	-179.6	-152.8	58	0	0	0	112.4	R212 Y213 F214 N236 S238	R212-D216 VanDerWaalsContact O-CB 3.26Å; R212-D216 WeakPolarHBondContact O-CB 3.26Å; R212-D216 PolarHBondContact O-N 3.42Å; Y213-D216 PolarHBondContact O-N 3.2Å; F214-D216 VanDerWaalsContact C-N 3.31Å; F214-D216 PolarHBondContact O-N 3.27Å; D216-N236 WeakPolarHBondContact O-CB 3.38Å; D216-N236 PolarHBondContact O-ND2 2.97Å; D216-N236 VanDerWaalsContact OD1-CG 3.27Å; D216-N236 PolarHBondContact OD1-ND2 3.25Å; D216-N236 VanDerWaalsContact OD1-ND2 3.1Å; D216-S238 VanDerWaalsContact CG-OG 3.3Å; D216-S238 WeakPolarHBondContact OD1-CB 3.08Å; D216-S238 PolarHBondContact OD1-N 2.67Å; D216-S238 PolarHBondContact OD1-OG 3.49Å; D216-S238 PolarHBondContact OD2-OG 3.15Å
217	N	90.9	Very high	91.7	Very high	78 Å²	78	24.2 Å²	24.2	42%	0.417	12%	0.118	S	C	.	.	H	α-helix	trans	-94.8	-28.7	-174.1	-64.4	-16.6	0	0	0	113.7	E195 Y213 F214	E195-N217 HydrophobicContact CG-CB 4.16Å; E195-N217 VanDerWaalsContact OE1-CB 3.26Å; E195-N217 WeakPolarHBondContact OE1-CB 3.4Å; E195-N217 PolarHBondContact OE1-ND2 3.26Å; E195-N217 PolarHBondContact OE2-ND2 2.81Å; Y213-N217 VanDerWaalsContact O-CB 3.26Å; Y213-N217 WeakPolarHBondContact O-CB 3.4Å; Y213-N217 PolarHBondContact O-N 2.9Å; Y213-N217 PolarHBondContact O-ND2 2.87Å; F214-N217 PolarHBondContact O-N 3.41Å
218	V	92.2	Very high	91.1	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-105.5	-39.4	-175.6	-175.2	0	0	0	0	112.1	K27 E195 L198 F214 G220	K27-V218 HydrophobicContact CB-CG1 4.33Å; K27-V218 WeakPolarHBondContact CB-O 3.47Å; K27-V218 HydrophobicContact CG-CG1 4.46Å; E195-V218 HydrophobicContact CB-CG2 4.22Å; E195-V218 HydrophobicContact CG-CG2 3.36Å; E195-V218 WeakPolarHBondContact O-CG2 3.46Å; L198-V218 HydrophobicContact CB-CG1 4.22Å; F214-V218 HydrophobicContact CD1-CB 4.42Å; F214-V218 HydrophobicContact CD1-CG2 4.46Å; F214-V218 HydrophobicContact CD2-CG2 4.29Å; F214-V218 HydrophobicContact CE1-CB 4.19Å; F214-V218 HydrophobicContact CE1-CG1 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.39Å; F214-V218 HydrophobicContact CE2-CG2 4.2Å; F214-V218 HydrophobicContact CG-CG2 4.42Å; F214-V218 HydrophobicContact CZ-CB 4.37Å; F214-V218 HydrophobicContact CZ-CG1 4.29Å; F214-V218 HydrophobicContact CZ-CG2 4.25Å; F214-V218 VanDerWaalsContact O-CB 3.26Å; F214-V218 WeakPolarHBondContact O-CB 3.35Å; F214-V218 WeakPolarHBondContact O-CG2 3.5Å; F214-V218 PolarHBondContact O-N 3.22Å; V218-G220 PolarHBondContact O-N 2.86Å
219	A	93.5	Very high	90.8	Very high	9 Å²	9	30 Å²	30	7%	0.074	15%	0.146	C	C	.	.			trans	-76.9	121.9	-171.6	0	0	0	0	0	111.4	L215 I222 N236	L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.89Å; A219-I222 HydrophobicContact CB-CD1 3.88Å; A219-N236 WeakPolarHBondContact O-CA 3.38Å; A219-N236 WeakPolarHBondContact O-CB 3.39Å
220	G	92.7	Very high	90.8	Very high	36 Å²	36	31.1 Å²	31.1	37%	0.371	16%	0.158	S	C	.	.	S	Bend	trans	-89	-14.8	165.6	0	0	0	0	0	112.6	K27 V218 G235	K27-G220 PolarHBondContact O-N 3.01Å; V218-G220 PolarHBondContact O-N 2.86Å; G220-G235 CarbonylContact C-O 3.57Å; G220-G235 PolarHBondContact O-N 3.42Å
221	W	95.2	Very high	90.9	Very high	81 Å²	81	32.9 Å²	32.9	31%	0.307	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.2	177.4	-71.6	77.3	0	0	0	110.4	K27 I28 G29 W233 E234 G235	K27-W221 PolarHBondContact O-N 3.09Å; K27-W221 VanDerWaalsContact O-N 3.08Å; I28-W221 CarbonylContact C-O 3.56Å; I28-W221 VanDerWaalsContact CA-O 3.31Å; I28-W221 WeakPolarHBondContact CA-O 3.49Å; I28-W221 HydrophobicContact CG1-CB 3.94Å; G29-W221 PolarHBondContact N-O 3.17Å; W221-W233 CarbonylContact C-O 3.58Å; W221-W233 VanDerWaalsContact CA-O 3.31Å; W221-W233 WeakPolarHBondContact CA-O 3.31Å; W221-E234 HydrophobicContact CD2-CB 4.2Å; W221-E234 HydrophobicContact CD2-CG 4.29Å; W221-E234 HydrophobicContact CE3-CB 3.99Å; W221-E234 HydrophobicContact CH2-CB 3.6Å; W221-E234 HydrophobicContact CH2-CG 3.88Å; W221-E234 HydrophobicContact CZ2-CB 3.81Å; W221-E234 HydrophobicContact CZ2-CG 3.55Å; W221-E234 HydrophobicContact CZ3-CB 3.69Å; W221-E234 HydrophobicContact CZ3-CG 4.37Å; W221-G235 CarbonylContact C-O 3.58Å; W221-G235 WeakPolarHBondContact CA-O 3.03Å; W221-G235 PolarHBondContact N-O 3.43Å
222	I	95.2	Very high	91	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.2	169.1	-62.2	-61.2	0	0	0	109	G29 L31 L215 A219 P232 W233 W240	G29-I222 CarbonylContact O-C 3.53Å; G29-I222 WeakPolarHBondContact O-CA 3.31Å; L31-I222 HydrophobicContact CB-CG2 4.33Å; L31-I222 HydrophobicContact CD1-CD1 4.48Å; L31-I222 HydrophobicContact CD1-CG2 3.63Å; L31-I222 HydrophobicContact CG-CG2 3.93Å; L215-I222 HydrophobicContact CD2-CD1 4.17Å; A219-I222 HydrophobicContact CB-CD1 3.88Å; I222-P232 CarbonylContact O-C 3.45Å; I222-W233 HydrophobicContact CB-CB 4.36Å; I222-W233 PolarHBondContact N-O 3.27Å; I222-W233 PolarHBondContact O-N 3.2Å; I222-W240 HydrophobicContact CB-CB 4.14Å; I222-W240 HydrophobicContact CB-CG 4.2Å; I222-W240 HydrophobicContact CG1-CB 3.96Å; I222-W240 HydrophobicContact CG1-CG 4.41Å; I222-W240 HydrophobicContact CG2-CB 4.22Å; I222-W240 HydrophobicContact CG2-CD2 4.21Å; I222-W240 HydrophobicContact CG2-CG 3.76Å
223	L	94.5	Very high	91	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	104.2	168.6	177.6	63	0	0	0	108.7	L20 I28 G29 V30 L31 L41 L225	L20-L223 HydrophobicContact CD1-CD2 3.61Å; L20-L223 HydrophobicContact CD2-CD1 3.89Å; L20-L223 HydrophobicContact CD2-CD2 4.18Å; I28-L223 HydrophobicContact CG2-CB 4.09Å; G29-L223 PolarHBondContact O-N 2.99Å; V30-L223 CarbonylContact C-O 3.49Å; V30-L223 WeakPolarHBondContact CA-O 3.5Å; V30-L223 HydrophobicContact CG2-CB 4.42Å; V30-L223 HydrophobicContact CG2-CD2 4.46Å; L31-L223 PolarHBondContact N-O 3.42Å; L41-L223 HydrophobicContact CD2-CD2 3.66Å; L223-L225 HydrophobicContact CD2-CD2 4.49Å; L223-L225 HydrophobicContact CG-CD2 4.34Å
224	E	92.8	Very high	91.1	Very high	4 Å²	4	45 Å²	45	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.6	174.5	-178.3	178	-157.5	0	0	110.1	D226 I231 W240 K244 R247	E224-D226 HydrophobicContact CG-CB 4.36Å; E224-I231 HydrophobicContact CB-CB 4.4Å; E224-I231 PolarHBondContact N-O 3.45Å; E224-I231 PolarHBondContact O-N 3.24Å; E224-W240 HydrophobicContact CG-CZ2 4.17Å; E224-W240 PolarHBondContact OE2-NE1 2.88Å; E224-W240 VanDerWaalsContact OE2-NE1 3.16Å; E224-K244 WeakPolarHBondContact OE1-CE 3.37Å; E224-K244 IonicContact OE1-NZ 2.67Å; E224-K244 PolarHBondContact OE1-NZ 3Å; E224-R247 IonicContact OE1-NH2 2.97Å; E224-R247 PolarHBondContact OE1-NH2 2.95Å; E224-R247 IonicContact OE2-CZ 2.97Å; E224-R247 IonicContact OE2-NH1 3.19Å; E224-R247 PolarHBondContact OE2-NH1 3.28Å; E224-R247 IonicContact OE2-NH2 2.79Å; E224-R247 PolarHBondContact OE2-NH2 3.49Å
225	L	91.3	Very high	91.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.9	167.3	-62.5	-170.3	0	0	0	109.6	L15 I18 V30 L31 G32 A36 K38 L41 L223 E229	L15-L225 HydrophobicContact CD2-CD1 4.03Å; I18-L225 HydrophobicContact CD1-CD2 4.04Å; V30-L225 HydrophobicContact CG1-CD1 4.36Å; V30-L225 HydrophobicContact CG1-CG 4.3Å; L31-L225 PolarHBondContact O-N 3.02Å; G32-L225 WeakPolarHBondContact CA-O 3.39Å; A36-L225 HydrophobicContact CB-CB 4.06Å; K38-L225 HydrophobicContact CB-CD1 4.44Å; K38-L225 HydrophobicContact CG-CD1 4.15Å; L41-L225 HydrophobicContact CB-CD1 4.34Å; L41-L225 HydrophobicContact CD2-CD1 4.1Å; L41-L225 HydrophobicContact CD2-CD2 4.26Å; L223-L225 HydrophobicContact CD2-CD2 4.49Å; L223-L225 HydrophobicContact CG-CD2 4.34Å; L225-E229 WeakPolarHBondContact CA-O 3.37Å
226	D	86.2	Confident	91.2	Very high	29 Å²	29	47.9 Å²	47.9	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.8	177.2	-168.5	13.6	0	0	0	110.9	E224 G228 E229 I231	E224-D226 HydrophobicContact CG-CB 4.36Å; D226-G228 PolarHBondContact O-N 3.11Å; D226-E229 PolarHBondContact N-O 2.84Å; D226-E229 PolarHBondContact O-N 3.28Å; D226-I231 HydrophobicContact CB-CD1 4.39Å
227	R	81.7	Confident	91.2	Very high	165 Å²	165	46.3 Å²	46.3	62%	0.623	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	25.2	179.9	-65	162.6	-170.8	175.7	4	115.4
228	G	83.2	Confident	91.2	Very high	4 Å²	4	43.4 Å²	43.4	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-1	179.1	0	0	0	0	0	115	I14 L15 K16 D226	I14-G228 WeakPolarHBondContact O-CA 3.42Å; L15-G228 CarbonylContact C-O 3.53Å; K16-G228 PolarHBondContact N-O 3.22Å; D226-G228 PolarHBondContact O-N 3.11Å
229	E	88.5	Confident	91.2	Very high	120 Å²	120	44.6 Å²	44.6	56%	0.561	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	148.8	172.1	-60.3	-174.8	176.2	0	0	110.1	L225 D226	L225-E229 WeakPolarHBondContact CA-O 3.37Å; D226-E229 PolarHBondContact N-O 2.84Å; D226-E229 PolarHBondContact O-N 3.28Å
230	G	90.3	Very high	91.2	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.7	172.2	0	0	0	0	0	109.9	P232	G230-P232 WeakPolarHBondContact O-CD 3.13Å
231	I	90.1	Very high	91.1	Very high	48 Å²	48	42.7 Å²	42.7	25%	0.246	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.6	-177.9	-52.9	171.2	0	0	0	107.9	E224 D226	E224-I231 HydrophobicContact CB-CB 4.4Å; E224-I231 PolarHBondContact N-O 3.45Å; E224-I231 PolarHBondContact O-N 3.24Å; D226-I231 HydrophobicContact CB-CD1 4.39Å
232	P	91.9	Very high	90.8	Very high	79 Å²	79	42.3 Å²	42.3	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.2	176.7	32.2	-34.4	0	0	0	110.9	I222 G230	I222-P232 CarbonylContact O-C 3.45Å; G230-P232 WeakPolarHBondContact O-CD 3.13Å
233	W	92.1	Very high	90.5	Very high	75 Å²	75	44 Å²	44	28%	0.284	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.5	174.2	179.3	-102.5	0	0	0	109.5	W221 I222 S239 W240 Q243	W221-W233 CarbonylContact C-O 3.58Å; W221-W233 VanDerWaalsContact CA-O 3.31Å; W221-W233 WeakPolarHBondContact CA-O 3.31Å; I222-W233 HydrophobicContact CB-CB 4.36Å; I222-W233 PolarHBondContact N-O 3.27Å; I222-W233 PolarHBondContact O-N 3.2Å; W233-S239 PolarHBondContact NE1-OG 3.04Å; W233-W240 HydrophobicContact CG-CB 4.3Å; W233-Q243 HydrophobicContact CD2-CB 4.3Å; W233-Q243 HydrophobicContact CD2-CG 4.42Å; W233-Q243 HydrophobicContact CE3-CB 4.23Å; W233-Q243 HydrophobicContact CE3-CG 3.88Å; W233-Q243 HydrophobicContact CH2-CB 3.8Å; W233-Q243 HydrophobicContact CH2-CG 3.84Å; W233-Q243 HydrophobicContact CZ2-CB 3.87Å; W233-Q243 HydrophobicContact CZ2-CG 4.39Å; W233-Q243 HydrophobicContact CZ3-CB 4Å; W233-Q243 HydrophobicContact CZ3-CG 3.58Å
234	E	93.4	Very high	90.1	Very high	137 Å²	137	44 Å²	44	64%	0.64	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.6	173	-171.4	172.1	-173.2	0	0	108.9	W221	W221-E234 HydrophobicContact CD2-CB 4.2Å; W221-E234 HydrophobicContact CD2-CG 4.29Å; W221-E234 HydrophobicContact CE3-CB 3.99Å; W221-E234 HydrophobicContact CH2-CB 3.6Å; W221-E234 HydrophobicContact CH2-CG 3.88Å; W221-E234 HydrophobicContact CZ2-CB 3.81Å; W221-E234 HydrophobicContact CZ2-CG 3.55Å; W221-E234 HydrophobicContact CZ3-CB 3.69Å; W221-E234 HydrophobicContact CZ3-CG 4.37Å
235	G	93.4	Very high	89.7	Confident	18 Å²	18	45 Å²	45	19%	0.186	23%	0.229	C	C	.	.	S	Bend	trans	138.8	174	-173.2	0	0	0	0	0	112.1	G220 W221	G220-G235 CarbonylContact C-O 3.57Å; G220-G235 PolarHBondContact O-N 3.42Å; W221-G235 CarbonylContact C-O 3.58Å; W221-G235 WeakPolarHBondContact CA-O 3.03Å; W221-G235 PolarHBondContact N-O 3.43Å
236	N	92.6	Very high	89.4	Confident	49 Å²	49	50.8 Å²	50.8	26%	0.262	26%	0.256	S	S	.	.			trans	-90.2	-173.6	-179.9	70.6	-2.1	0	0	0	112	D216 A219 S238 S239 W240	D216-N236 WeakPolarHBondContact O-CB 3.38Å; D216-N236 PolarHBondContact O-ND2 2.97Å; D216-N236 VanDerWaalsContact OD1-CG 3.27Å; D216-N236 PolarHBondContact OD1-ND2 3.25Å; D216-N236 VanDerWaalsContact OD1-ND2 3.1Å; A219-N236 WeakPolarHBondContact O-CA 3.38Å; A219-N236 WeakPolarHBondContact O-CB 3.39Å; N236-S238 PolarHBondContact O-N 3.19Å; N236-S238 PolarHBondContact OD1-N 3.45Å; N236-S239 PolarHBondContact O-N 3.05Å; N236-S239 WeakPolarHBondContact OD1-CB 3.39Å; N236-S239 PolarHBondContact OD1-N 3.33Å; N236-S239 VanDerWaalsContact OD1-N 3.09Å; N236-W240 PolarHBondContact O-N 2.85Å
237	Y	93.1	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.2	-49.3	-179.7	177.8	-104.5	0	0	0	113.5	L31 R212 L215 S239 W240 L241 E265 I470 W495	L31-Y237 HydrophobicContact CD1-CD2 4.13Å; L31-Y237 HydrophobicContact CD1-CE2 4.4Å; R212-Y237 HydrophobicContact CB-CD1 3.97Å; R212-Y237 HydrophobicContact CB-CE1 3.95Å; R212-Y237 HydrophobicContact CB-CG 4.43Å; R212-Y237 VanDerWaalsContact CD-CE1 3.47Å; R212-Y237 VanDerWaalsContact CD-OH 3.26Å; R212-Y237 WeakPolarHBondContact CD-OH 3.22Å; R212-Y237 HydrophobicContact CG-CD1 3.95Å; R212-Y237 HydrophobicContact CG-CD2 4.21Å; R212-Y237 HydrophobicContact CG-CE1 3.55Å; R212-Y237 HydrophobicContact CG-CE2 3.83Å; R212-Y237 HydrophobicContact CG-CG 4.27Å; R212-Y237 VanDerWaalsContact CG-CZ 3.5Å; L215-Y237 HydrophobicContact CB-CG 4.45Å; L215-Y237 HydrophobicContact CD1-CD2 4.2Å; Y237-S239 VanDerWaalsContact C-N 3.33Å; Y237-S239 PolarHBondContact O-N 2.91Å; Y237-W240 AromaticContact CD2-CE3 3.92Å; Y237-W240 HydrophobicContact CD2-CE3 3.92Å; Y237-W240 HydrophobicContact CD2-CZ3 4.08Å; Y237-W240 AromaticContact CE2-CE3 3.83Å; Y237-W240 HydrophobicContact CE2-CE3 3.83Å; Y237-W240 AromaticContact CE2-CZ3 3.54Å; Y237-W240 HydrophobicContact CE2-CZ3 3.54Å; Y237-W240 PolarHBondContact O-N 3.45Å; Y237-L241 HydrophobicContact CE1-CD2 4.24Å; Y237-L241 WeakPolarHBondContact O-CB 3.32Å; Y237-L241 PolarHBondContact O-N 3.18Å; Y237-E265 PolarHBondContact OH-OE1 2.96Å; Y237-E265 PolarHBondContact OH-OE2 2.92Å; Y237-I470 HydrophobicContact CD2-CD1 4.35Å; Y237-I470 HydrophobicContact CE2-CD1 3.76Å; Y237-I470 HydrophobicContact CE2-CG2 4.18Å; Y237-I470 WeakPolarHBondContact OH-CG2 3.31Å; Y237-W495 HydrophobicContact CD1-CH2 4.3Å; Y237-W495 HydrophobicContact CE1-CH2 4.27Å; Y237-W495 HydrophobicContact CE1-CZ2 4.25Å
238	S	91.1	Very high	89.1	Confident	18 Å²	18	44.6 Å²	44.6	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-42.5	-178.1	-63.3	0	0	0	0	111.9	D216 N236 L241 E242	D216-S238 VanDerWaalsContact CG-OG 3.3Å; D216-S238 WeakPolarHBondContact OD1-CB 3.08Å; D216-S238 PolarHBondContact OD1-N 2.67Å; D216-S238 PolarHBondContact OD1-OG 3.49Å; D216-S238 PolarHBondContact OD2-OG 3.15Å; N236-S238 PolarHBondContact O-N 3.19Å; N236-S238 PolarHBondContact OD1-N 3.45Å; S238-L241 PolarHBondContact O-N 3.04Å; S238-E242 PolarHBondContact O-N 3.39Å
239	S	92.8	Very high	88.7	Confident	34 Å²	34	46.8 Å²	46.8	24%	0.238	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-44.4	175.6	176.6	0	0	0	0	112.4	W233 N236 Y237 L241 E242 Q243	W233-S239 PolarHBondContact NE1-OG 3.04Å; N236-S239 PolarHBondContact O-N 3.05Å; N236-S239 WeakPolarHBondContact OD1-CB 3.39Å; N236-S239 PolarHBondContact OD1-N 3.33Å; N236-S239 VanDerWaalsContact OD1-N 3.09Å; Y237-S239 VanDerWaalsContact C-N 3.33Å; Y237-S239 PolarHBondContact O-N 2.91Å; S239-L241 VanDerWaalsContact C-N 3.3Å; S239-L241 PolarHBondContact O-N 3.45Å; S239-E242 PolarHBondContact O-N 3.45Å; S239-Q243 PolarHBondContact O-N 3.04Å
240	W	93.8	Very high	88.1	Confident	5 Å²	5	49 Å²	49	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-39.8	175.7	166.8	82.4	0	0	0	111.9	L31 I222 E224 W233 N236 Y237 E242 Q243 K244	L31-W240 HydrophobicContact CB-CZ2 4.41Å; L31-W240 HydrophobicContact CD1-CD2 3.83Å; L31-W240 HydrophobicContact CD1-CE3 3.71Å; L31-W240 HydrophobicContact CD1-CH2 3.66Å; L31-W240 HydrophobicContact CD1-CZ2 3.79Å; L31-W240 HydrophobicContact CD1-CZ3 3.65Å; I222-W240 HydrophobicContact CB-CB 4.14Å; I222-W240 HydrophobicContact CB-CG 4.2Å; I222-W240 HydrophobicContact CG1-CB 3.96Å; I222-W240 HydrophobicContact CG1-CG 4.41Å; I222-W240 HydrophobicContact CG2-CB 4.22Å; I222-W240 HydrophobicContact CG2-CD2 4.21Å; I222-W240 HydrophobicContact CG2-CG 3.76Å; E224-W240 HydrophobicContact CG-CZ2 4.17Å; E224-W240 PolarHBondContact OE2-NE1 2.88Å; E224-W240 VanDerWaalsContact OE2-NE1 3.16Å; W233-W240 HydrophobicContact CG-CB 4.3Å; N236-W240 PolarHBondContact O-N 2.85Å; Y237-W240 AromaticContact CD2-CE3 3.92Å; Y237-W240 HydrophobicContact CD2-CE3 3.92Å; Y237-W240 HydrophobicContact CD2-CZ3 4.08Å; Y237-W240 AromaticContact CE2-CE3 3.83Å; Y237-W240 HydrophobicContact CE2-CE3 3.83Å; Y237-W240 AromaticContact CE2-CZ3 3.54Å; Y237-W240 HydrophobicContact CE2-CZ3 3.54Å; Y237-W240 PolarHBondContact O-N 3.45Å; W240-E242 VanDerWaalsContact C-N 3.31Å; W240-E242 PolarHBondContact O-N 3.25Å; W240-Q243 PolarHBondContact O-N 3.19Å; W240-K244 HydrophobicContact CH2-CD 3.5Å; W240-K244 VanDerWaalsContact CH2-CD 3.5Å; W240-K244 HydrophobicContact CZ2-CD 3.28Å; W240-K244 VanDerWaalsContact CZ2-NZ 3.32Å; W240-K244 HydrophobicContact CZ3-CD 4.21Å; W240-K244 WeakPolarHBondContact O-CB 3.43Å; W240-K244 PolarHBondContact O-N 2.81Å
241	L	90	Very high	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-39.8	179.9	-173.7	64.1	0	0	0	111.6	Y237 S238 S239 K244 D245 I262 E265 L266	Y237-L241 HydrophobicContact CE1-CD2 4.24Å; Y237-L241 WeakPolarHBondContact O-CB 3.32Å; Y237-L241 PolarHBondContact O-N 3.18Å; S238-L241 PolarHBondContact O-N 3.04Å; S239-L241 VanDerWaalsContact C-N 3.3Å; S239-L241 PolarHBondContact O-N 3.45Å; L241-K244 PolarHBondContact O-N 2.8Å; L241-D245 PolarHBondContact O-N 2.71Å; L241-I262 HydrophobicContact CD1-CG2 3.85Å; L241-I262 HydrophobicContact CG-CG2 4.3Å; L241-E265 HydrophobicContact CD2-CB 4.14Å; L241-E265 HydrophobicContact CD2-CG 3.73Å; L241-E265 WeakPolarHBondContact CD2-OE2 3.2Å; L241-L266 HydrophobicContact CB-CD2 4.04Å; L241-L266 HydrophobicContact CD2-CD2 3.7Å; L241-L266 HydrophobicContact CD2-CG 4Å; L241-L266 HydrophobicContact CG-CD2 3.63Å; L241-L266 HydrophobicContact CG-CG 3.92Å
242	E	89	Confident	85.6	Confident	73 Å²	73	52.8 Å²	52.8	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-42.1	174.8	-70.1	-166.5	142.5	0	0	112.3	S238 S239 W240 Q246 L266 R270	S238-E242 PolarHBondContact O-N 3.39Å; S239-E242 PolarHBondContact O-N 3.45Å; W240-E242 VanDerWaalsContact C-N 3.31Å; W240-E242 PolarHBondContact O-N 3.25Å; E242-Q246 WeakPolarHBondContact O-CG 3.49Å; E242-Q246 PolarHBondContact O-N 3.06Å; E242-L266 HydrophobicContact CB-CD2 4.39Å; E242-L266 HydrophobicContact CG-CD2 3.49Å; E242-L266 VanDerWaalsContact CG-CD2 3.49Å; E242-R270 IonicContact OE1-CZ 2.73Å; E242-R270 IonicContact OE1-NE 3.88Å; E242-R270 PolarHBondContact OE1-NE 3.4Å; E242-R270 IonicContact OE1-NH2 3.02Å; E242-R270 PolarHBondContact OE1-NH2 3.39Å
243	Q	88.5	Confident	83.9	Confident	36 Å²	36	54.2 Å²	54.2	17%	0.168	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-43	175.7	-177	-105.9	56.3	0	0	111.8	W233 S239 W240 D245 Q246 R247	W233-Q243 HydrophobicContact CD2-CB 4.3Å; W233-Q243 HydrophobicContact CD2-CG 4.42Å; W233-Q243 HydrophobicContact CE3-CB 4.23Å; W233-Q243 HydrophobicContact CE3-CG 3.88Å; W233-Q243 HydrophobicContact CH2-CB 3.8Å; W233-Q243 HydrophobicContact CH2-CG 3.84Å; W233-Q243 HydrophobicContact CZ2-CB 3.87Å; W233-Q243 HydrophobicContact CZ2-CG 4.39Å; W233-Q243 HydrophobicContact CZ3-CB 4Å; W233-Q243 HydrophobicContact CZ3-CG 3.58Å; S239-Q243 PolarHBondContact O-N 3.04Å; W240-Q243 PolarHBondContact O-N 3.19Å; Q243-D245 VanDerWaalsContact C-N 3.3Å; Q243-D245 PolarHBondContact O-N 2.78Å; Q243-Q246 PolarHBondContact O-N 3.35Å; Q243-R247 PolarHBondContact O-N 2.99Å
244	K	87.1	Confident	82.2	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-39.1	-179.4	-178.3	160.1	177.1	164.6	0	111.8	E224 W240 L241 R247 L248 I262 E471	E224-K244 WeakPolarHBondContact OE1-CE 3.37Å; E224-K244 IonicContact OE1-NZ 2.67Å; E224-K244 PolarHBondContact OE1-NZ 3Å; W240-K244 HydrophobicContact CH2-CD 3.5Å; W240-K244 VanDerWaalsContact CH2-CD 3.5Å; W240-K244 HydrophobicContact CZ2-CD 3.28Å; W240-K244 VanDerWaalsContact CZ2-NZ 3.32Å; W240-K244 HydrophobicContact CZ3-CD 4.21Å; W240-K244 WeakPolarHBondContact O-CB 3.43Å; W240-K244 PolarHBondContact O-N 2.81Å; L241-K244 PolarHBondContact O-N 2.8Å; K244-R247 PolarHBondContact O-N 2.84Å; K244-L248 HydrophobicContact CG-CD1 3.99Å; K244-L248 WeakPolarHBondContact O-CB 3.31Å; K244-L248 WeakPolarHBondContact O-CG 3.25Å; K244-L248 PolarHBondContact O-N 3.09Å; K244-I262 HydrophobicContact CG-CD1 4.5Å; K244-E471 IonicContact NZ-OE1 3.68Å; K244-E471 PolarHBondContact NZ-OE1 3.27Å
245	D	84.5	Confident	80.9	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-46.7	173.4	-171.5	62	0	0	0	112.1	L241 Q243 R247 L248 A249 I262 L266	L241-D245 PolarHBondContact O-N 2.71Å; Q243-D245 VanDerWaalsContact C-N 3.3Å; Q243-D245 PolarHBondContact O-N 2.78Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 3.28Å; D245-L248 PolarHBondContact O-N 2.79Å; D245-A249 WeakPolarHBondContact O-CB 3.4Å; D245-A249 PolarHBondContact O-N 3.29Å; D245-I262 HydrophobicContact CB-CG2 3.68Å; D245-L266 HydrophobicContact CB-CD1 3.54Å
246	Q	84.6	Confident	80	Confident	121 Å²	121	58.8 Å²	58.8	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-62.7	-40.1	177.7	-66.9	173.1	23.3	0	0	112.2	E242 Q243 A249 Q250	E242-Q246 WeakPolarHBondContact O-CG 3.49Å; E242-Q246 PolarHBondContact O-N 3.06Å; Q243-Q246 PolarHBondContact O-N 3.35Å; Q246-A249 PolarHBondContact O-N 3.17Å; Q246-Q250 PolarHBondContact O-N 3.25Å
247	R	82.6	Confident	79	Confident	42 Å²	42	58.2 Å²	58.2	16%	0.158	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-45.8	176.9	-168.7	172.6	76.1	-141.9	12.4	111.4	E224 Q243 K244 D245 A249 Q250 E251	E224-R247 IonicContact OE1-NH2 2.97Å; E224-R247 PolarHBondContact OE1-NH2 2.95Å; E224-R247 IonicContact OE2-CZ 2.97Å; E224-R247 IonicContact OE2-NH1 3.19Å; E224-R247 PolarHBondContact OE2-NH1 3.28Å; E224-R247 IonicContact OE2-NH2 2.79Å; E224-R247 PolarHBondContact OE2-NH2 3.49Å; Q243-R247 PolarHBondContact O-N 2.99Å; K244-R247 PolarHBondContact O-N 2.84Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 3.28Å; R247-A249 VanDerWaalsContact C-N 3.26Å; R247-A249 PolarHBondContact O-N 3.14Å; R247-Q250 WeakPolarHBondContact O-CB 3.5Å; R247-Q250 PolarHBondContact O-N 3.08Å; R247-E251 PolarHBondContact O-N 3.04Å
248	L	77.4	Confident	77.9	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-69.4	-20.7	176.5	-72.2	170.6	0	0	0	113.5	K244 D245 Q250 I262	K244-L248 HydrophobicContact CG-CD1 3.99Å; K244-L248 WeakPolarHBondContact O-CB 3.31Å; K244-L248 WeakPolarHBondContact O-CG 3.25Å; K244-L248 PolarHBondContact O-N 3.09Å; D245-L248 PolarHBondContact O-N 2.79Å; L248-Q250 VanDerWaalsContact C-N 3.3Å; L248-I262 HydrophobicContact CD1-CD1 3.15Å
249	A	75.5	Confident	77.3	Confident	50 Å²	50	63.5 Å²	63.5	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-71.9	-26.8	170.4	0	0	0	0	0	112.3	D245 Q246 R247	D245-A249 WeakPolarHBondContact O-CB 3.4Å; D245-A249 PolarHBondContact O-N 3.29Å; Q246-A249 PolarHBondContact O-N 3.17Å; R247-A249 VanDerWaalsContact C-N 3.26Å; R247-A249 PolarHBondContact O-N 3.14Å
250	Q	76.9	Confident	76.7	Confident	167 Å²	167	67.1 Å²	67.1	78%	0.78	36%	0.357	S	S	*	.	H	α-helix	trans	-86.3	-40.3	177	-64.3	176	13	0	0	112.1	Q246 R247 L248 A252	Q246-Q250 PolarHBondContact O-N 3.25Å; R247-Q250 WeakPolarHBondContact O-CB 3.5Å; R247-Q250 PolarHBondContact O-N 3.08Å; L248-Q250 VanDerWaalsContact C-N 3.3Å; Q250-A252 PolarHBondContact O-N 3.19Å
251	E	70.1	Confident	75.9	Confident	76 Å²	76	67.2 Å²	67.2	36%	0.355	36%	0.358	S	S	.	.	S	Bend	trans	-66.5	126.4	169.8	-65.5	-177.6	-157.1	0	0	108.5	R247	R247-E251 PolarHBondContact O-N 3.04Å
252	A	57.6	Low	75.4	Confident	76 Å²	76	67.3 Å²	67.3	63%	0.628	36%	0.359	S	S	*	.			trans	-48.3	155.5	-168.4	0	0	0	0	0	114.5	Q250 Q254	Q250-A252 PolarHBondContact O-N 3.19Å; A252-Q254 PolarHBondContact O-N 3.06Å
253	S	55.2	Low	75.2	Confident	108 Å²	108	67.4 Å²	67.4	76%	0.755	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-53.4	7.1	-175	64.6	0	0	0	0	118.3	E255 A256	S253-E255 PolarHBondContact O-N 2.84Å; S253-A256 PolarHBondContact O-N 3.03Å
254	Q	56.3	Low	74.9	Confident	186 Å²	186	68.7 Å²	68.7	87%	0.869	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-58.6	-18.2	-179.1	-69.5	-173.2	-3.6	0	0	113.2	A252	A252-Q254 PolarHBondContact O-N 3.06Å
255	E	67.2	Low	74.7	Confident	76 Å²	76	68.5 Å²	68.5	36%	0.355	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-117.6	42.1	177.4	-58.8	-168.6	169.9	0	0	113.4	S253 A257 R258 R259	S253-E255 PolarHBondContact O-N 2.84Å; E255-A257 VanDerWaalsContact C-N 3.26Å; E255-A257 PolarHBondContact O-N 3.49Å; E255-A257 VanDerWaalsContact O-N 3.16Å; E255-R258 HydrophobicContact CB-CB 3.9Å; E255-R258 WeakPolarHBondContact O-CB 3.32Å; E255-R258 PolarHBondContact O-N 3.47Å; E255-R258 IonicContact OE1-NH1 3.77Å; E255-R258 WeakPolarHBondContact OE2-CD 3.41Å; E255-R258 IonicContact OE2-CZ 2.64Å; E255-R258 IonicContact OE2-NE 2.76Å; E255-R258 IonicContact OE2-NH1 2.74Å; E255-R258 PolarHBondContact OE2-NH1 2.84Å; E255-R259 PolarHBondContact O-N 3.45Å
256	A	73.3	Confident	74.7	Confident	65 Å²	65	67.3 Å²	67.3	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-51.5	-39.2	-179.2	0	0	0	0	0	114.3	S253 K260	S253-A256 PolarHBondContact O-N 3.03Å; A256-K260 WeakPolarHBondContact O-CB 3.5Å; A256-K260 PolarHBondContact O-N 3.38Å
257	A	71.7	Confident	74.7	Confident	37 Å²	37	67 Å²	67	31%	0.306	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-41.6	177.2	0	0	0	0	0	112.2	E255 K260 S261 E303	E255-A257 VanDerWaalsContact C-N 3.26Å; E255-A257 PolarHBondContact O-N 3.49Å; E255-A257 VanDerWaalsContact O-N 3.16Å; A257-K260 PolarHBondContact O-N 2.86Å; A257-S261 PolarHBondContact O-N 3.41Å; A257-E303 HydrophobicContact CB-CG 3.89Å
258	R	71.4	Confident	74.5	Confident	28 Å²	28	65.9 Å²	65.9	11%	0.106	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-46.4	177.2	-161.4	-175.3	-177.2	-177.2	-3.2	110.9	E255 K260 S261 I262 E303 E471	E255-R258 HydrophobicContact CB-CB 3.9Å; E255-R258 WeakPolarHBondContact O-CB 3.32Å; E255-R258 PolarHBondContact O-N 3.47Å; E255-R258 IonicContact OE1-NH1 3.77Å; E255-R258 WeakPolarHBondContact OE2-CD 3.41Å; E255-R258 IonicContact OE2-CZ 2.64Å; E255-R258 IonicContact OE2-NE 2.76Å; E255-R258 IonicContact OE2-NH1 2.74Å; E255-R258 PolarHBondContact OE2-NH1 2.84Å; R258-K260 PolarHBondContact O-N 3.25Å; R258-S261 WeakPolarHBondContact O-CB 3.42Å; R258-S261 PolarHBondContact O-N 3.35Å; R258-S261 VanDerWaalsContact O-N 3.16Å; R258-I262 WeakPolarHBondContact O-CG1 3.38Å; R258-I262 PolarHBondContact O-N 3.23Å; R258-E303 WeakPolarHBondContact CA-OE1 3.42Å; R258-E303 VanDerWaalsContact CB-OE1 3.23Å; R258-E303 WeakPolarHBondContact CB-OE1 3.42Å; R258-E303 PolarHBondContact N-OE1 3.47Å; R258-E471 IonicContact NH2-OE1 3.04Å; R258-E471 PolarHBondContact NH2-OE1 3.12Å
259	R	77.2	Confident	74.6	Confident	101 Å²	101	66.3 Å²	66.3	38%	0.381	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-47.5	175.6	-178.5	178.6	158.8	-177.2	-3.1	111.5	E255 S261 I262 E263	E255-R259 PolarHBondContact O-N 3.45Å; R259-S261 PolarHBondContact O-N 2.86Å; R259-I262 WeakPolarHBondContact O-CA 3.41Å; R259-I262 WeakPolarHBondContact O-CB 3.37Å; R259-I262 PolarHBondContact O-N 2.89Å; R259-E263 HydrophobicContact CG-CG 4.37Å; R259-E263 IonicContact CZ-OE1 3.7Å; R259-E263 VanDerWaalsContact CZ-OE1 3.29Å; R259-E263 IonicContact NE-OE1 3.68Å; R259-E263 PolarHBondContact NE-OE1 2.91Å; R259-E263 IonicContact NH2-OE1 3.98Å; R259-E263 PolarHBondContact NH2-OE1 2.87Å; R259-E263 WeakPolarHBondContact O-CG 3.21Å; R259-E263 PolarHBondContact O-N 3.44Å
260	K	80	Confident	74.9	Confident	110 Å²	110	71.7 Å²	71.7	48%	0.478	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-35.6	176.7	-171.5	179.5	-178.5	-176	0	112.7	A256 A257 R258 I262 K264	A256-K260 WeakPolarHBondContact O-CB 3.5Å; A256-K260 PolarHBondContact O-N 3.38Å; A257-K260 PolarHBondContact O-N 2.86Å; R258-K260 PolarHBondContact O-N 3.25Å; K260-I262 VanDerWaalsContact C-N 3.32Å; K260-K264 WeakPolarHBondContact O-CG 3.48Å; K260-K264 PolarHBondContact O-N 2.93Å; K260-K264 VanDerWaalsContact O-N 3.14Å
261	S	77.9	Confident	74.9	Confident	7 Å²	7	68.3 Å²	68.3	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-37.4	172.5	176.7	0	0	0	0	111.7	A257 R258 R259 E265 R474 N478	A257-S261 PolarHBondContact O-N 3.41Å; R258-S261 WeakPolarHBondContact O-CB 3.42Å; R258-S261 PolarHBondContact O-N 3.35Å; R258-S261 VanDerWaalsContact O-N 3.16Å; R259-S261 PolarHBondContact O-N 2.86Å; S261-E265 PolarHBondContact O-N 2.98Å; S261-R474 PolarHBondContact O-NH2 3.08Å; S261-R474 VanDerWaalsContact O-NH2 3.08Å; S261-R474 PolarHBondContact OG-NH2 3.19Å; S261-N478 WeakPolarHBondContact CB-ND2 3.39Å; S261-N478 PolarHBondContact OG-ND2 2.88Å
262	I	80.2	Confident	74.7	Confident	1 Å²	1	66 Å²	66	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-70.8	-47.5	179.7	-64.7	168.9	0	0	0	110.1	L241 K244 D245 L248 R258 R259 K260 K264 E265 L266	L241-I262 HydrophobicContact CD1-CG2 3.85Å; L241-I262 HydrophobicContact CG-CG2 4.3Å; K244-I262 HydrophobicContact CG-CD1 4.5Å; D245-I262 HydrophobicContact CB-CG2 3.68Å; L248-I262 HydrophobicContact CD1-CD1 3.15Å; R258-I262 WeakPolarHBondContact O-CG1 3.38Å; R258-I262 PolarHBondContact O-N 3.23Å; R259-I262 WeakPolarHBondContact O-CA 3.41Å; R259-I262 WeakPolarHBondContact O-CB 3.37Å; R259-I262 PolarHBondContact O-N 2.89Å; K260-I262 VanDerWaalsContact C-N 3.32Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.26Å; I262-E265 PolarHBondContact O-N 3.16Å; I262-L266 HydrophobicContact CG2-CD1 3.99Å; I262-L266 HydrophobicContact CG2-CG 4.27Å; I262-L266 PolarHBondContact O-N 3.47Å
263	E	83	Confident	75	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-56.2	-44.5	177.2	-70.2	174.1	168.6	0	0	111.3	R259 E265 L266 E267	R259-E263 HydrophobicContact CG-CG 4.37Å; R259-E263 IonicContact CZ-OE1 3.7Å; R259-E263 VanDerWaalsContact CZ-OE1 3.29Å; R259-E263 IonicContact NE-OE1 3.68Å; R259-E263 PolarHBondContact NE-OE1 2.91Å; R259-E263 IonicContact NH2-OE1 3.98Å; R259-E263 PolarHBondContact NH2-OE1 2.87Å; R259-E263 WeakPolarHBondContact O-CG 3.21Å; R259-E263 PolarHBondContact O-N 3.44Å; E263-E265 PolarHBondContact O-N 3.14Å; E263-L266 PolarHBondContact O-N 2.83Å; E263-E267 WeakPolarHBondContact O-CB 3.16Å; E263-E267 PolarHBondContact O-N 2.9Å
264	K	83	Confident	75	Confident	64 Å²	64	70.1 Å²	70.1	28%	0.278	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-40	175.1	-78	-177.8	170.8	-169.6	0	113.1	K260 I262 W268 E482	K260-K264 WeakPolarHBondContact O-CG 3.48Å; K260-K264 PolarHBondContact O-N 2.93Å; K260-K264 VanDerWaalsContact O-N 3.14Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.26Å; K264-W268 PolarHBondContact O-N 2.72Å; K264-E482 IonicContact NZ-OE1 3.62Å; K264-E482 PolarHBondContact NZ-OE1 2.84Å
265	E	83.9	Confident	75	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-45.8	177.2	-171	177.6	-151.5	0	0	110.7	R212 Y237 L241 S261 I262 E263 E267 W268 V269 R474 W495 R499	R212-E265 WeakPolarHBondContact CD-OE1 3.29Å; R212-E265 IonicContact CZ-OE1 2.78Å; R212-E265 IonicContact NH1-OE1 3.88Å; R212-E265 PolarHBondContact NH1-OE1 3.16Å; Y237-E265 PolarHBondContact OH-OE1 2.96Å; Y237-E265 PolarHBondContact OH-OE2 2.92Å; L241-E265 HydrophobicContact CD2-CB 4.14Å; L241-E265 HydrophobicContact CD2-CG 3.73Å; L241-E265 WeakPolarHBondContact CD2-OE2 3.2Å; S261-E265 PolarHBondContact O-N 2.98Å; I262-E265 PolarHBondContact O-N 3.16Å; E263-E265 PolarHBondContact O-N 3.14Å; E265-E267 VanDerWaalsContact C-N 3.34Å; E265-E267 PolarHBondContact O-N 3.31Å; E265-W268 CarbonylContact O-C 3.54Å; E265-W268 WeakPolarHBondContact O-CA 3.4Å; E265-W268 WeakPolarHBondContact O-CB 3.4Å; E265-W268 PolarHBondContact O-N 2.8Å; E265-W268 VanDerWaalsContact O-N 3.09Å; E265-V269 WeakPolarHBondContact O-CG2 3.46Å; E265-V269 PolarHBondContact O-N 3.01Å; E265-R474 WeakPolarHBondContact OE2-CD 3.16Å; E265-R474 IonicContact OE2-CZ 4Å; E265-R474 IonicContact OE2-NE 3.87Å; E265-R474 PolarHBondContact OE2-NE 2.78Å; E265-R474 IonicContact OE2-NH1 2.76Å; E265-R474 PolarHBondContact OE2-NH1 2.94Å; E265-R474 IonicContact OE2-NH2 2.71Å; E265-W495 HydrophobicContact CG-CZ2 4.4Å; E265-R499 IonicContact OE1-NH1 3.36Å
266	L	84.1	Confident	74.8	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-42.2	176.6	-78.2	177.9	0	0	0	112.7	L241 E242 D245 I262 E263 W268 V269 R270	L241-L266 HydrophobicContact CB-CD2 4.04Å; L241-L266 HydrophobicContact CD2-CD2 3.7Å; L241-L266 HydrophobicContact CD2-CG 4Å; L241-L266 HydrophobicContact CG-CD2 3.63Å; L241-L266 HydrophobicContact CG-CG 3.92Å; E242-L266 HydrophobicContact CB-CD2 4.39Å; E242-L266 HydrophobicContact CG-CD2 3.49Å; E242-L266 VanDerWaalsContact CG-CD2 3.49Å; D245-L266 HydrophobicContact CB-CD1 3.54Å; I262-L266 HydrophobicContact CG2-CD1 3.99Å; I262-L266 HydrophobicContact CG2-CG 4.27Å; I262-L266 PolarHBondContact O-N 3.47Å; E263-L266 PolarHBondContact O-N 2.83Å; L266-W268 VanDerWaalsContact C-N 3.27Å; L266-W268 PolarHBondContact O-N 2.95Å; L266-V269 PolarHBondContact O-N 2.94Å; L266-R270 WeakPolarHBondContact O-CB 2.99Å; L266-R270 VanDerWaalsContact O-CG 3.25Å; L266-R270 WeakPolarHBondContact O-CG 3.46Å; L266-R270 PolarHBondContact O-N 3.24Å
267	E	83.4	Confident	74.3	Confident	113 Å²	113	62.9 Å²	62.9	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-43.8	174.2	-170.4	-175.6	175.5	0	0	110.9	E263 E265 R270 Q271	E263-E267 WeakPolarHBondContact O-CB 3.16Å; E263-E267 PolarHBondContact O-N 2.9Å; E265-E267 VanDerWaalsContact C-N 3.34Å; E265-E267 PolarHBondContact O-N 3.31Å; E267-R270 PolarHBondContact O-N 3.31Å; E267-Q271 VanDerWaalsContact O-CG 3.31Å; E267-Q271 WeakPolarHBondContact O-CG 3.34Å; E267-Q271 PolarHBondContact O-N 3.29Å; E267-Q271 PolarHBondContact OE1-NE2 3.24Å
268	W	80.1	Confident	74	Confident	20 Å²	20	64.9 Å²	64.9	8%	0.076	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-36.5	177.4	-175.8	80.7	0	0	0	113.3	K264 E265 L266 R270 R276 W495 D498	K264-W268 PolarHBondContact O-N 2.72Å; E265-W268 CarbonylContact O-C 3.54Å; E265-W268 WeakPolarHBondContact O-CA 3.4Å; E265-W268 WeakPolarHBondContact O-CB 3.4Å; E265-W268 PolarHBondContact O-N 2.8Å; E265-W268 VanDerWaalsContact O-N 3.09Å; L266-W268 VanDerWaalsContact C-N 3.27Å; L266-W268 PolarHBondContact O-N 2.95Å; W268-R270 VanDerWaalsContact C-N 3.35Å; W268-R276 VanDerWaalsContact CH2-CZ 3.42Å; W268-R276 VanDerWaalsContact CH2-NH1 3.34Å; W268-R276 HydrophobicContact CZ2-CG 4.26Å; W268-R276 VanDerWaalsContact CZ3-CZ 3.49Å; W268-R276 PolarHBondContact O-NE 3.45Å; W268-R276 PolarHBondContact O-NH2 3.37Å; W268-W495 AromaticContact CE3-CE2 3.95Å; W268-W495 HydrophobicContact CE3-CH2 4.48Å; W268-W495 AromaticContact CE3-CZ2 3.77Å; W268-W495 HydrophobicContact CE3-CZ2 3.77Å; W268-W495 HydrophobicContact CH2-CD2 4.33Å; W268-W495 AromaticContact CZ3-CD2 3.85Å; W268-W495 HydrophobicContact CZ3-CD2 3.85Å; W268-W495 AromaticContact CZ3-CE2 3.33Å; W268-W495 HydrophobicContact CZ3-CE3 4.3Å; W268-W495 HydrophobicContact CZ3-CG 4.46Å; W268-W495 AromaticContact CZ3-CH2 3.93Å; W268-W495 HydrophobicContact CZ3-CH2 3.93Å; W268-W495 AromaticContact CZ3-CZ2 3.4Å; W268-W495 HydrophobicContact CZ3-CZ2 3.4Å; W268-W495 VanDerWaalsContact CZ3-CZ2 3.4Å; W268-W495 HydrophobicContact CZ3-CZ3 4.33Å; W268-W495 AromaticContact CZ3-NE1 3.63Å; W268-D498 HydrophobicContact CH2-CB 4.06Å; W268-D498 HydrophobicContact CZ2-CB 4Å
269	V	79.4	Confident	74.2	Confident	31 Å²	31	65.7 Å²	65.7	19%	0.188	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-46.9	171.6	176.6	0	0	0	0	109.9	E265 L266 Q271 G272 R276 W495	E265-V269 WeakPolarHBondContact O-CG2 3.46Å; E265-V269 PolarHBondContact O-N 3.01Å; L266-V269 PolarHBondContact O-N 2.94Å; V269-Q271 PolarHBondContact O-N 2.77Å; V269-G272 PolarHBondContact O-N 2.82Å; V269-R276 PolarHBondContact O-NH2 2.91Å; V269-W495 HydrophobicContact CG2-CH2 3.57Å; V269-W495 HydrophobicContact CG2-CZ2 3.6Å
270	R	81.2	Confident	74.1	Confident	163 Å²	163	61.6 Å²	61.6	62%	0.615	32%	0.315	S	S	*	.	H	α-helix	trans	-69.1	-28.9	-177.1	-72.6	170.7	-179.2	167	3.3	114.9	E242 L266 E267 W268 G272	E242-R270 IonicContact OE1-CZ 2.73Å; E242-R270 IonicContact OE1-NE 3.88Å; E242-R270 PolarHBondContact OE1-NE 3.4Å; E242-R270 IonicContact OE1-NH2 3.02Å; E242-R270 PolarHBondContact OE1-NH2 3.39Å; L266-R270 WeakPolarHBondContact O-CB 2.99Å; L266-R270 VanDerWaalsContact O-CG 3.25Å; L266-R270 WeakPolarHBondContact O-CG 3.46Å; L266-R270 PolarHBondContact O-N 3.24Å; E267-R270 PolarHBondContact O-N 3.31Å; W268-R270 VanDerWaalsContact C-N 3.35Å; R270-G272 PolarHBondContact O-N 2.97Å; R270-G272 VanDerWaalsContact O-N 3.13Å
271	Q	76.2	Confident	73.9	Confident	95 Å²	95	63.5 Å²	63.5	44%	0.444	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.1	177.8	-76.9	173.2	7.8	0	0	113.5	E267 V269 G275	E267-Q271 VanDerWaalsContact O-CG 3.31Å; E267-Q271 WeakPolarHBondContact O-CG 3.34Å; E267-Q271 PolarHBondContact O-N 3.29Å; E267-Q271 PolarHBondContact OE1-NE2 3.24Å; V269-Q271 PolarHBondContact O-N 2.77Å; Q271-G275 PolarHBondContact O-N 2.84Å
272	G	67	Low	74	Confident	29 Å²	29	65.8 Å²	65.8	30%	0.299	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	-174.3	179.3	0	0	0	0	0	113.1	V269 R270 R276	V269-G272 PolarHBondContact O-N 2.82Å; R270-G272 PolarHBondContact O-N 2.97Å; R270-G272 VanDerWaalsContact O-N 3.13Å; G272-R276 VanDerWaalsContact O-CD 3.27Å; G272-R276 WeakPolarHBondContact O-CD 3.34Å; G272-R276 WeakPolarHBondContact O-CG 3.38Å; G272-R276 PolarHBondContact O-NE 3.43Å
273	T	62.8	Low	74.1	Confident	86 Å²	86	66.8 Å²	66.8	53%	0.528	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-42.9	-176.3	49.4	0	0	0	0	113.1	G275 R276	T273-G275 PolarHBondContact O-N 3.41Å; T273-R276 WeakPolarHBondContact O-CB 3.49Å; T273-R276 PolarHBondContact O-N 3.37Å; T273-R276 VanDerWaalsContact O-N 3.17Å
274	K	56.3	Low	73.9	Confident	184 Å²	184	67.3 Å²	67.3	80%	0.8	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.3	-32	-177	-69.3	-171.5	178.8	-178.9	0	113.7	R276	K274-R276 PolarHBondContact O-N 3.09Å
275	G	55.5	Low	73.8	Confident	46 Å²	46	68.4 Å²	68.4	47%	0.474	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-71.4	-13.8	176.7	0	0	0	0	0	113.7	Q271 T273	Q271-G275 PolarHBondContact O-N 2.84Å; T273-G275 PolarHBondContact O-N 3.41Å
276	R	63.9	Low	73.7	Confident	26 Å²	26	73.3 Å²	73.3	10%	0.098	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-88.3	-5.4	-175	-66.2	169	-175.3	175.7	4.7	114.1	W268 V269 G272 T273 K274	W268-R276 VanDerWaalsContact CH2-CZ 3.42Å; W268-R276 VanDerWaalsContact CH2-NH1 3.34Å; W268-R276 HydrophobicContact CZ2-CG 4.26Å; W268-R276 VanDerWaalsContact CZ3-CZ 3.49Å; W268-R276 PolarHBondContact O-NE 3.45Å; W268-R276 PolarHBondContact O-NH2 3.37Å; V269-R276 PolarHBondContact O-NH2 2.91Å; G272-R276 VanDerWaalsContact O-CD 3.27Å; G272-R276 WeakPolarHBondContact O-CD 3.34Å; G272-R276 WeakPolarHBondContact O-CG 3.38Å; G272-R276 PolarHBondContact O-NE 3.43Å; T273-R276 WeakPolarHBondContact O-CB 3.49Å; T273-R276 PolarHBondContact O-N 3.37Å; T273-R276 VanDerWaalsContact O-N 3.17Å; K274-R276 PolarHBondContact O-N 3.09Å
277	Q	62.9	Low	73.6	Confident	102 Å²	102	73.4 Å²	73.4	48%	0.477	39%	0.391	S	S	.	.			trans	-76.9	151.9	-177	-62.7	-169	-23.6	0	0	112.8	E522	Q277-E522 WeakPolarHBondContact CA-OE1 3.35Å; Q277-E522 WeakPolarHBondContact CB-OE1 3.47Å; Q277-E522 HydrophobicContact CG-CG 4.23Å; Q277-E522 VanDerWaalsContact CG-OE1 3.31Å; Q277-E522 WeakPolarHBondContact CG-OE1 3.44Å
278	S	65.8	Low	73.4	Confident	79 Å²	79	72.9 Å²	72.9	55%	0.552	39%	0.388	S	S	*	.			trans	72.8	30.7	175.8	77.5	0	0	0	0	118.3	G280 K281 A282 E522	S278-G280 VanDerWaalsContact C-N 3.31Å; S278-G280 PolarHBondContact O-N 2.65Å; S278-K281 PolarHBondContact O-N 3.47Å; S278-A282 PolarHBondContact O-N 3.13Å; S278-E522 PolarHBondContact N-OE1 2.91Å
279	K	75.4	Confident	73.7	Confident	45 Å²	45	76.5 Å²	76.5	20%	0.196	41%	0.406	C	S	.	.	H	α-helix	trans	-58	-35.4	178.5	-77	-173.3	177	-178.9	0	114.8	K281 A282 R283 D498 R499 T502	K279-K281 PolarHBondContact O-N 3.36Å; K279-A282 PolarHBondContact O-N 3.48Å; K279-R283 WeakPolarHBondContact O-CB 3.45Å; K279-R283 PolarHBondContact O-N 3.35Å; K279-D498 PolarHBondContact NZ-O 3.41Å; K279-R499 VanDerWaalsContact NZ-C 3.27Å; K279-R499 PolarHBondContact NZ-O 3.41Å; K279-T502 HydrophobicContact CB-CG2 4.35Å
280	G	73.7	Confident	73.8	Confident	16 Å²	16	75.1 Å²	75.1	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-49.4	179.7	0	0	0	0	0	112.5	S278 R283 L284	S278-G280 VanDerWaalsContact C-N 3.31Å; S278-G280 PolarHBondContact O-N 2.65Å; G280-R283 PolarHBondContact O-N 3.17Å; G280-L284 WeakPolarHBondContact O-CB 3.11Å; G280-L284 PolarHBondContact O-N 2.97Å
281	K	75.4	Confident	73.7	Confident	150 Å²	150	69.6 Å²	69.6	65%	0.652	38%	0.38	S	S	*	.	H	α-helix	trans	-66.3	-43.5	178.4	-66.9	-178.7	-177.5	174.6	0	112.3	S278 K279 R283 L284 A285	S278-K281 PolarHBondContact O-N 3.47Å; K279-K281 PolarHBondContact O-N 3.36Å; K281-R283 PolarHBondContact O-N 3.4Å; K281-L284 PolarHBondContact O-N 2.93Å; K281-A285 WeakPolarHBondContact O-CB 3.23Å; K281-A285 PolarHBondContact O-N 2.86Å
282	A	80.3	Confident	74	Confident	55 Å²	55	67.2 Å²	67.2	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-41	178.6	0	0	0	0	0	112.2	S278 K279 R286	S278-A282 PolarHBondContact O-N 3.13Å; K279-A282 PolarHBondContact O-N 3.48Å; A282-R286 WeakPolarHBondContact O-CG 3.25Å; A282-R286 PolarHBondContact O-N 2.97Å
283	R	82.7	Confident	74.5	Confident	21 Å²	21	70.8 Å²	70.8	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-68.8	-43.3	177.1	-173.2	170.7	-179.2	123.5	8.3	111.8	K279 G280 K281 A285 R286 F287 G342 I344 L480 F483 T502	K279-R283 WeakPolarHBondContact O-CB 3.45Å; K279-R283 PolarHBondContact O-N 3.35Å; G280-R283 PolarHBondContact O-N 3.17Å; K281-R283 PolarHBondContact O-N 3.4Å; R283-A285 VanDerWaalsContact C-N 3.3Å; R283-A285 PolarHBondContact O-N 3.38Å; R283-R286 CarbonylContact O-C 3.59Å; R283-R286 PolarHBondContact O-N 3.16Å; R283-R286 VanDerWaalsContact O-N 3.15Å; R283-F287 PolarHBondContact O-N 3.41Å; R283-G342 WeakPolarHBondContact CD-O 3.43Å; R283-G342 PolarHBondContact NE-O 2.84Å; R283-I344 VanDerWaalsContact CZ-CD1 3.42Å; R283-L480 PolarHBondContact NH1-O 2.97Å; R283-L480 PolarHBondContact NH2-O 3.45Å; R283-F483 PolarHBondContact NH2-O 3Å; R283-T502 HydrophobicContact CB-CG2 4.29Å
284	L	78.2	Confident	75.2	Confident	87 Å²	87	73.8 Å²	73.8	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-40.2	176.4	-173.1	64.6	0	0	0	111.5	G280 K281 R286 F287 K341	G280-L284 WeakPolarHBondContact O-CB 3.11Å; G280-L284 PolarHBondContact O-N 2.97Å; K281-L284 PolarHBondContact O-N 2.93Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 2.9Å; L284-F287 WeakPolarHBondContact O-CB 3.4Å; L284-F287 PolarHBondContact O-N 3.16Å; L284-K341 HydrophobicContact CD1-CG 3.91Å
285	A	81.6	Confident	76.3	Confident	86 Å²	86	67.1 Å²	67.1	71%	0.711	37%	0.368	S	S	*	.	H	α-helix	trans	-63.6	-32.4	175.7	0	0	0	0	0	113.1	K281 R283	K281-A285 WeakPolarHBondContact O-CB 3.23Å; K281-A285 PolarHBondContact O-N 2.86Å; R283-A285 VanDerWaalsContact C-N 3.3Å; R283-A285 PolarHBondContact O-N 3.38Å
286	R	81.8	Confident	77.4	Confident	103 Å²	103	65.5 Å²	65.5	39%	0.389	35%	0.348	S	S	.	.	H	α-helix	trans	-88.7	-4.9	176.7	-67.6	-179.1	64.8	-148.6	-12.1	113.7	A282 R283 L284 E288 E289 L290 Y295 E482	A282-R286 WeakPolarHBondContact O-CG 3.25Å; A282-R286 PolarHBondContact O-N 2.97Å; R283-R286 CarbonylContact O-C 3.59Å; R283-R286 PolarHBondContact O-N 3.16Å; R283-R286 VanDerWaalsContact O-N 3.15Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 2.9Å; R286-E288 VanDerWaalsContact C-N 3.33Å; R286-E288 PolarHBondContact O-N 2.85Å; R286-E289 IonicContact NE-OE2 2.78Å; R286-E289 WeakPolarHBondContact O-CB 3.26Å; R286-E289 PolarHBondContact O-N 3.32Å; R286-L290 WeakPolarHBondContact O-CG 3.28Å; R286-L290 PolarHBondContact O-N 2.97Å; R286-Y295 PolarHBondContact NH2-OH 3.12Å; R286-E482 IonicContact NH2-OE2 3.08Å
287	F	81.9	Confident	77.9	Confident	5 Å²	5	70.7 Å²	70.7	2%	0.022	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-38.9	-170.7	-169.9	-102.7	0	0	0	113.2	R283 L284 L290 N291 L312 K341 G342	R283-F287 PolarHBondContact O-N 3.41Å; L284-F287 WeakPolarHBondContact O-CB 3.4Å; L284-F287 PolarHBondContact O-N 3.16Å; F287-L290 PolarHBondContact O-N 3.15Å; F287-N291 WeakPolarHBondContact CD1-ND2 3.44Å; F287-N291 WeakPolarHBondContact CE1-ND2 3.33Å; F287-N291 WeakPolarHBondContact CZ-ND2 3.49Å; F287-N291 PolarHBondContact O-N 3.4Å; F287-N291 VanDerWaalsContact O-N 3.11Å; F287-N291 PolarHBondContact O-ND2 2.76Å; F287-L312 HydrophobicContact CZ-CB 4.48Å; F287-L312 HydrophobicContact CZ-CD2 4.42Å; F287-K341 HydrophobicContact CD1-CD 4.16Å; F287-K341 HydrophobicContact CD1-CG 4.38Å; F287-K341 HydrophobicContact CE1-CB 4.35Å; F287-K341 HydrophobicContact CE1-CD 4.08Å; F287-K341 HydrophobicContact CE1-CG 4.32Å; F287-K341 HydrophobicContact CZ-CB 4.43Å; F287-G342 VanDerWaalsContact CD2-CA 3.45Å
288	E	80.6	Confident	78.5	Confident	102 Å²	102	74.3 Å²	74.3	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-69.1	-36.1	175.6	-64.5	-63.8	154.2	0	0	111.8	R286 N291 S292 R311	R286-E288 VanDerWaalsContact C-N 3.33Å; R286-E288 PolarHBondContact O-N 2.85Å; E288-N291 PolarHBondContact O-N 3.21Å; E288-S292 PolarHBondContact O-N 3.35Å; E288-R311 IonicContact OE2-NH2 3.78Å
289	E	85	Confident	79.1	Confident	95 Å²	95	70.8 Å²	70.8	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-46.2	173.6	-173.2	-167.9	-175.9	0	0	110.7	R286 N291 S292 Y295	R286-E289 IonicContact NE-OE2 2.78Å; R286-E289 WeakPolarHBondContact O-CB 3.26Å; R286-E289 PolarHBondContact O-N 3.32Å; E289-N291 PolarHBondContact O-N 2.86Å; E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.44Å; E289-S292 PolarHBondContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 2.97Å; E289-Y295 HydrophobicContact CG-CD2 3.85Å; E289-Y295 HydrophobicContact CG-CE2 4.23Å; E289-Y295 HydrophobicContact CG-CG 4.5Å; E289-Y295 VanDerWaalsContact O-CB 3.22Å; E289-Y295 WeakPolarHBondContact O-CB 3.4Å; E289-Y295 WeakPolarHBondContact OE1-CE2 3.11Å
290	L	82.2	Confident	79	Confident	2 Å²	2	71 Å²	71	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-38.1	176.6	-67.8	177.1	0	0	0	111.3	R286 F287 S292 Y295 Q296 P484	R286-L290 WeakPolarHBondContact O-CG 3.28Å; R286-L290 PolarHBondContact O-N 2.97Å; F287-L290 PolarHBondContact O-N 3.15Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.04Å; L290-Y295 HydrophobicContact CD2-CD1 4.1Å; L290-Y295 HydrophobicContact CD2-CE1 3.55Å; L290-Q296 WeakPolarHBondContact O-CG 3.39Å; L290-Q296 PolarHBondContact O-NE2 3.3Å; L290-P484 HydrophobicContact CB-CB 4Å
291	N	78.9	Confident	78.8	Confident	47 Å²	47	75.3 Å²	75.3	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-75.2	-13.2	178.2	-82.6	-78.6	0	0	0	114	F287 E288 E289	F287-N291 WeakPolarHBondContact CD1-ND2 3.44Å; F287-N291 WeakPolarHBondContact CE1-ND2 3.33Å; F287-N291 WeakPolarHBondContact CZ-ND2 3.49Å; F287-N291 PolarHBondContact O-N 3.4Å; F287-N291 VanDerWaalsContact O-N 3.11Å; F287-N291 PolarHBondContact O-ND2 2.76Å; E288-N291 PolarHBondContact O-N 3.21Å; E289-N291 PolarHBondContact O-N 2.86Å
292	S	82.5	Confident	78.9	Confident	46 Å²	46	69.7 Å²	69.7	32%	0.322	36%	0.358	S	S	.	.	S	Bend	trans	-67.8	140.5	-176.8	75.3	0	0	0	0	112	E288 E289 L290 E294 Y295 Q296	E288-S292 PolarHBondContact O-N 3.35Å; E289-S292 VanDerWaalsContact O-CB 3.31Å; E289-S292 WeakPolarHBondContact O-CB 3.44Å; E289-S292 PolarHBondContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 2.97Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S292 PolarHBondContact O-N 3.04Å; S292-E294 VanDerWaalsContact C-N 3.29Å; S292-E294 PolarHBondContact O-N 2.78Å; S292-Y295 PolarHBondContact O-N 3.39Å; S292-Y295 VanDerWaalsContact O-N 3.17Å; S292-Y295 WeakPolarHBondContact OG-CB 3.06Å; S292-Y295 PolarHBondContact OG-N 2.91Å; S292-Q296 PolarHBondContact O-N 2.79Å
293	T	76.6	Confident	78.7	Confident	103 Å²	103	69 Å²	69	63%	0.632	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-36.4	-177.6	-50.3	0	0	0	0	112.5	K297	T293-K297 WeakPolarHBondContact O-CG 3.43Å; T293-K297 PolarHBondContact O-N 2.93Å
294	E	78.3	Confident	78.8	Confident	149 Å²	149	68.3 Å²	68.3	70%	0.696	34%	0.343	S	S	*	.	H	α-helix	trans	-65.1	-40.6	176.8	-66.9	-173	175.7	0	0	112	S292 R298	S292-E294 VanDerWaalsContact C-N 3.29Å; S292-E294 PolarHBondContact O-N 2.78Å; E294-R298 WeakPolarHBondContact O-CG 3.46Å; E294-R298 PolarHBondContact O-N 3.22Å
295	Y	78.8	Confident	79.1	Confident	44 Å²	44	65 Å²	65	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-45.6	178	-162	-85.5	0	0	0	111.4	R286 E289 L290 S292 K297 R298 N299 E482	R286-Y295 PolarHBondContact NH2-OH 3.12Å; E289-Y295 HydrophobicContact CG-CD2 3.85Å; E289-Y295 HydrophobicContact CG-CE2 4.23Å; E289-Y295 HydrophobicContact CG-CG 4.5Å; E289-Y295 VanDerWaalsContact O-CB 3.22Å; E289-Y295 WeakPolarHBondContact O-CB 3.4Å; E289-Y295 WeakPolarHBondContact OE1-CE2 3.11Å; L290-Y295 HydrophobicContact CD2-CD1 4.1Å; L290-Y295 HydrophobicContact CD2-CE1 3.55Å; S292-Y295 PolarHBondContact O-N 3.39Å; S292-Y295 VanDerWaalsContact O-N 3.17Å; S292-Y295 WeakPolarHBondContact OG-CB 3.06Å; S292-Y295 PolarHBondContact OG-N 2.91Å; Y295-K297 VanDerWaalsContact C-N 3.35Å; Y295-K297 PolarHBondContact O-N 3.4Å; Y295-R298 WeakPolarHBondContact O-CB 3.26Å; Y295-R298 PolarHBondContact O-N 3.15Å; Y295-R298 VanDerWaalsContact O-N 3.08Å; Y295-N299 PolarHBondContact O-N 3.48Å; Y295-E482 WeakPolarHBondContact CE1-OE2 3.25Å; Y295-E482 PolarHBondContact OH-OE2 3.5Å
296	Q	78.2	Confident	79.5	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-43.4	177.7	-72	-60.9	-50.8	0	0	111.9	L290 S292 R298 N299 E300 P308	L290-Q296 WeakPolarHBondContact O-CG 3.39Å; L290-Q296 PolarHBondContact O-NE2 3.3Å; S292-Q296 PolarHBondContact O-N 2.79Å; Q296-R298 VanDerWaalsContact C-N 3.27Å; Q296-R298 PolarHBondContact O-N 3.35Å; Q296-N299 WeakPolarHBondContact O-CA 3.33Å; Q296-N299 WeakPolarHBondContact O-CB 3.23Å; Q296-N299 PolarHBondContact O-N 3.26Å; Q296-E300 WeakPolarHBondContact O-CG 3.44Å; Q296-E300 PolarHBondContact O-N 3.1Å; Q296-P308 HydrophobicContact CG-CG 4.39Å
297	K	75.2	Confident	79.5	Confident	136 Å²	136	56.2 Å²	56.2	59%	0.591	27%	0.274	S	S	*	.	H	α-helix	trans	-58.4	-34.8	174.5	-76.9	179.3	178	-178	0	113.8	T293 Y295	T293-K297 WeakPolarHBondContact O-CG 3.43Å; T293-K297 PolarHBondContact O-N 2.93Å; Y295-K297 VanDerWaalsContact C-N 3.35Å; Y295-K297 PolarHBondContact O-N 3.4Å
298	R	75.8	Confident	79.5	Confident	178 Å²	178	58.4 Å²	58.4	67%	0.672	29%	0.289	S	S	*	.	H	α-helix	trans	-72.9	-40.1	174.2	-67.2	176.7	-176.6	-178.7	3.5	111.1	E294 Y295 Q296 E300 T301	E294-R298 WeakPolarHBondContact O-CG 3.46Å; E294-R298 PolarHBondContact O-N 3.22Å; Y295-R298 WeakPolarHBondContact O-CB 3.26Å; Y295-R298 PolarHBondContact O-N 3.15Å; Y295-R298 VanDerWaalsContact O-N 3.08Å; Q296-R298 VanDerWaalsContact C-N 3.27Å; Q296-R298 PolarHBondContact O-N 3.35Å; R298-E300 VanDerWaalsContact C-N 3.28Å; R298-E300 PolarHBondContact O-N 3.23Å; R298-T301 PolarHBondContact O-N 3.36Å; R298-T301 PolarHBondContact O-OG1 3.3Å
299	N	77.9	Confident	79.7	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-31.7	179.7	-167.9	27.5	0	0	0	112.4	Y295 Q296 T301 N302 F305 E482	Y295-N299 PolarHBondContact O-N 3.48Å; Q296-N299 WeakPolarHBondContact O-CA 3.33Å; Q296-N299 WeakPolarHBondContact O-CB 3.23Å; Q296-N299 PolarHBondContact O-N 3.26Å; N299-T301 PolarHBondContact O-N 2.91Å; N299-N302 VanDerWaalsContact O-CB 3.29Å; N299-N302 WeakPolarHBondContact O-CB 3.36Å; N299-N302 PolarHBondContact O-N 2.97Å; N299-N302 PolarHBondContact OD1-ND2 2.82Å; N299-F305 HydrophobicContact CB-CD2 4.16Å; N299-F305 HydrophobicContact CB-CE2 4.09Å; N299-E482 WeakPolarHBondContact ND2-CB 3.37Å; N299-E482 PolarHBondContact ND2-O 2.86Å; N299-E482 VanDerWaalsContact OD1-CB 3.31Å; N299-E482 WeakPolarHBondContact OD1-CB 3.47Å
300	E	73.4	Confident	79.7	Confident	49 Å²	49	53.5 Å²	53.5	23%	0.229	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.5	175.5	-73.1	170.4	-163.1	0	0	113.9	Q296 R298 F305 T413	Q296-E300 WeakPolarHBondContact O-CG 3.44Å; Q296-E300 PolarHBondContact O-N 3.1Å; R298-E300 VanDerWaalsContact C-N 3.28Å; R298-E300 PolarHBondContact O-N 3.23Å; E300-F305 HydrophobicContact CG-CD1 4.08Å; E300-F305 HydrophobicContact CG-CD2 4.35Å; E300-F305 HydrophobicContact CG-CE1 3.64Å; E300-F305 HydrophobicContact CG-CE2 3.95Å; E300-F305 HydrophobicContact CG-CG 4.41Å; E300-F305 HydrophobicContact CG-CZ 3.56Å; E300-T413 WeakPolarHBondContact CG-OG1 2.95Å; E300-T413 PolarHBondContact OE2-OG1 3.02Å
301	T	70.7	Confident	79.9	Confident	108 Å²	108	62 Å²	62	66%	0.663	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-5.7	178.4	66.5	0	0	0	0	114.2	R298 N299	R298-T301 PolarHBondContact O-N 3.36Å; R298-T301 PolarHBondContact O-OG1 3.3Å; N299-T301 PolarHBondContact O-N 2.91Å
302	N	75.8	Confident	80.4	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.171	30%	0.301	C	S	.	.	S	Bend	trans	-69	161.6	176.7	-73.8	-28.3	0	0	0	111.2	N299 L304	N299-N302 VanDerWaalsContact O-CB 3.29Å; N299-N302 WeakPolarHBondContact O-CB 3.36Å; N299-N302 PolarHBondContact O-N 2.97Å; N299-N302 PolarHBondContact OD1-ND2 2.82Å; N302-L304 PolarHBondContact O-N 3.01Å
303	E	76.6	Confident	80.7	Confident	40 Å²	40	59.1 Å²	59.1	19%	0.187	30%	0.298	C	S	.	.	S	Bend	trans	-60.1	-36.3	-178.1	-65.3	-169	149.3	0	0	113.1	A257 R258 R423 A475	A257-E303 HydrophobicContact CB-CG 3.89Å; R258-E303 WeakPolarHBondContact CA-OE1 3.42Å; R258-E303 VanDerWaalsContact CB-OE1 3.23Å; R258-E303 WeakPolarHBondContact CB-OE1 3.42Å; R258-E303 PolarHBondContact N-OE1 3.47Å; E303-R423 WeakPolarHBondContact O-CD 3.31Å; E303-R423 WeakPolarHBondContact O-CG 3.05Å; E303-R423 PolarHBondContact O-NE 3.37Å; E303-R423 VanDerWaalsContact O-NE 3.09Å; E303-A475 HydrophobicContact CB-CB 4.16Å
304	L	84.9	Confident	81.2	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	30%	0.298	C	S	.	.	S	Bend	trans	-131.3	130.7	172.8	-173.2	64.1	0	0	0	108.4	N302 F424 L452 A475 L476 A479	N302-L304 PolarHBondContact O-N 3.01Å; L304-F424 HydrophobicContact CD1-CE1 4.11Å; L304-F424 HydrophobicContact CD1-CE2 3.98Å; L304-F424 HydrophobicContact CD1-CZ 3.44Å; L304-F424 VanDerWaalsContact CD1-CZ 3.44Å; L304-F424 HydrophobicContact CD2-CE1 4.44Å; L304-L452 HydrophobicContact CD1-CD1 4.23Å; L304-L452 HydrophobicContact CD2-CD1 3.74Å; L304-L452 HydrophobicContact CG-CD1 4.22Å; L304-A475 HydrophobicContact CB-CB 4Å; L304-L476 HydrophobicContact CD2-CB 4.18Å; L304-L476 HydrophobicContact CD2-CD1 4.13Å; L304-A479 HydrophobicContact CB-CB 4.05Å; L304-A479 HydrophobicContact CD2-CB 4.07Å; L304-A479 HydrophobicContact CG-CB 3.92Å; L304-A479 WeakPolarHBondContact O-CB 3.13Å
305	F	84.3	Confident	81.8	Confident	16 Å²	16	57.6 Å²	57.6	7%	0.07	29%	0.285	C	S	.	.			trans	-128.1	131.9	-178.5	171.7	-111.3	0	0	0	108.8	N299 E300 P307 I410	N299-F305 HydrophobicContact CB-CD2 4.16Å; N299-F305 HydrophobicContact CB-CE2 4.09Å; E300-F305 HydrophobicContact CG-CD1 4.08Å; E300-F305 HydrophobicContact CG-CD2 4.35Å; E300-F305 HydrophobicContact CG-CE1 3.64Å; E300-F305 HydrophobicContact CG-CE2 3.95Å; E300-F305 HydrophobicContact CG-CG 4.41Å; E300-F305 HydrophobicContact CG-CZ 3.56Å; F305-P307 HydrophobicContact CE1-CB 4.17Å; F305-I410 HydrophobicContact CD1-CG2 4.31Å
306	I	89.4	Confident	82.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-103.4	116.4	174.8	-51.5	177.7	0	0	0	106.8	L452 L459 A479 L480 F483	I306-L452 HydrophobicContact CD1-CD2 3.65Å; I306-L452 HydrophobicContact CG1-CD1 4.38Å; I306-L452 HydrophobicContact CG1-CD2 3.85Å; I306-L452 HydrophobicContact CG2-CD2 4.28Å; I306-L459 HydrophobicContact CD1-CD1 4Å; I306-L459 HydrophobicContact CG2-CD1 4.07Å; I306-A479 HydrophobicContact CD1-CB 4.06Å; I306-A479 HydrophobicContact CG1-CB 3.94Å; I306-L480 HydrophobicContact CD1-CD2 3.8Å; I306-L480 HydrophobicContact CD1-CG 4.26Å; I306-F483 HydrophobicContact CB-CD2 3.77Å; I306-F483 HydrophobicContact CB-CE2 4.37Å; I306-F483 HydrophobicContact CB-CG 4.44Å; I306-F483 HydrophobicContact CD1-CB 4.28Å; I306-F483 HydrophobicContact CD1-CG 4.44Å; I306-F483 HydrophobicContact CG2-CD2 3.51Å; I306-F483 HydrophobicContact CG2-CE2 3.61Å; I306-F483 HydrophobicContact CG2-CG 4.35Å
307	P	83.5	Confident	83.3	Confident	5 Å²	5	55 Å²	55	3%	0.032	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.2	135.9	-177.5	27.7	-31.6	0	0	0	110	F305 G309 I410 G411 L452	F305-P307 HydrophobicContact CE1-CB 4.17Å; P307-G309 PolarHBondContact O-N 2.81Å; P307-I410 HydrophobicContact CB-CG2 4.29Å; P307-I410 HydrophobicContact CG-CG2 3.95Å; P307-G411 VanDerWaalsContact CB-CA 3.48Å; P307-L452 WeakPolarHBondContact CD-O 3.37Å
308	P	81.9	Confident	84.4	Confident	51 Å²	51	52.3 Å²	52.3	33%	0.331	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-65	136.9	179.9	26.9	-34.6	0	0	0	110.4	Q296 P484	Q296-P308 HydrophobicContact CG-CG 4.39Å; P308-P484 HydrophobicContact CB-CG 3.7Å
309	G	83.3	Confident	85.4	Confident	25 Å²	25	43.9 Å²	43.9	26%	0.258	23%	0.233	S	C	.	.			trans	-75.7	-172.7	168.7	0	0	0	0	0	113.1	P307 G456	P307-G309 PolarHBondContact O-N 2.81Å; G309-G456 VanDerWaalsContact CA-O 3.22Å; G309-G456 WeakPolarHBondContact CA-O 3.36Å; G309-G456 PolarHBondContact N-O 3.15Å
310	P	86.2	Confident	86.4	Confident	69 Å²	69	45.3 Å²	45.3	45%	0.448	24%	0.243	S	C	.	.	S	Bend	trans	-60.5	156.3	169.4	27.3	-31.9	0	0	0	110.4	L312 K380 N457	P310-L312 PolarHBondContact O-N 3.41Å; P310-K380 HydrophobicContact CG-CB 3.84Å; P310-K380 HydrophobicContact CG-CD 4.28Å; P310-N457 PolarHBondContact O-ND2 2.84Å
311	R	86.6	Confident	87.5	Confident	180 Å²	180	47.2 Å²	47.2	68%	0.679	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-55.9	124.5	-179	-170.2	178.6	-172.8	-163.4	3	110.4	E288	E288-R311 IonicContact OE2-NH2 3.78Å
312	L	88.7	Confident	88.8	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.047	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-81.6	129.3	179.5	-171	63.7	0	0	0	110.4	F287 P310 V316 K341 V379 N457 C486	F287-L312 HydrophobicContact CZ-CB 4.48Å; F287-L312 HydrophobicContact CZ-CD2 4.42Å; P310-L312 PolarHBondContact O-N 3.41Å; L312-V316 HydrophobicContact CD1-CG1 4.28Å; L312-V316 HydrophobicContact CD1-CG2 4.06Å; L312-V316 HydrophobicContact CD2-CG1 4.36Å; L312-V316 HydrophobicContact CD2-CG2 3.72Å; L312-V316 HydrophobicContact CG-CG2 3.91Å; L312-K341 HydrophobicContact CD2-CB 4.28Å; L312-V379 HydrophobicContact CD1-CG2 3.86Å; L312-N457 HydrophobicContact CB-CB 4.26Å; L312-N457 HydrophobicContact CD1-CB 4.31Å; L312-C486 HydrophobicContact CD2-CB 4.45Å
313	G	88	Confident	89.7	Confident	25 Å²	25	45.2 Å²	45.2	26%	0.258	23%	0.233	S	C	.	.			trans	-76.9	178.1	172.8	0	0	0	0	0	112.7	T378	G313-T378 WeakPolarHBondContact CA-OG1 3.4Å; G313-T378 PolarHBondContact N-OG1 2.83Å
314	D	87.4	Confident	90.6	Very high	118 Å²	118	44.2 Å²	44.2	63%	0.631	23%	0.228	S	C	*	.	S	Bend	trans	-71.3	-34.1	-177	-64.3	-41.4	0	0	0	113	K341	D314-K341 WeakPolarHBondContact OD1-CD 3.35Å; D314-K341 VanDerWaalsContact OD1-CE 3.31Å; D314-K341 WeakPolarHBondContact OD1-CE 3.35Å; D314-K341 IonicContact OD1-NZ 3.58Å; D314-K341 PolarHBondContact OD1-NZ 3.19Å
315	K	90.2	Very high	90.9	Very high	101 Å²	101	45.2 Å²	45.2	44%	0.439	24%	0.236	S	C	.	.			trans	-84.3	116.9	171.9	-172.9	172.2	-173.3	165	0	109.3	E318 G376	K315-E318 WeakPolarHBondContact CE-OE2 3.27Å; K315-E318 IonicContact NZ-OE2 2.8Å; K315-E318 PolarHBondContact NZ-OE2 2.86Å; K315-G376 WeakPolarHBondContact O-CA 3.34Å
316	V	93.5	Very high	91	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.257	C	S	.	.			trans	-109.7	-67.7	178.8	-175.3	0	0	0	0	110.7	L312 I339 K341 L375 G376 V379 M458 C486	L312-V316 HydrophobicContact CD1-CG1 4.28Å; L312-V316 HydrophobicContact CD1-CG2 4.06Å; L312-V316 HydrophobicContact CD2-CG1 4.36Å; L312-V316 HydrophobicContact CD2-CG2 3.72Å; L312-V316 HydrophobicContact CG-CG2 3.91Å; V316-I339 WeakPolarHBondContact CB-O 3.22Å; V316-I339 HydrophobicContact CG1-CG2 4.47Å; V316-K341 HydrophobicContact CG2-CB 4.16Å; V316-L375 WeakPolarHBondContact O-CA 3.49Å; V316-G376 PolarHBondContact O-N 3.02Å; V316-V379 HydrophobicContact CG1-CG2 4.08Å; V316-V379 WeakPolarHBondContact O-CG2 3.31Å; V316-M458 HydrophobicContact CG1-SD 3.92Å; V316-C486 HydrophobicContact CG1-CB 4.13Å
317	L	96.5	Very high	90.7	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.4	176.7	176	69.6	0	0	0	109.2	V319 F337 S338 I339 I362 I373 L375 M458 M488	L317-V319 HydrophobicContact CD1-CG2 4.22Å; L317-V319 HydrophobicContact CD2-CG2 3.95Å; L317-V319 HydrophobicContact CG-CG2 4Å; L317-F337 HydrophobicContact CD2-CE2 4.11Å; L317-F337 HydrophobicContact CD2-CZ 4.13Å; L317-S338 CarbonylContact O-C 3.56Å; L317-S338 VanDerWaalsContact O-CA 3.3Å; L317-S338 WeakPolarHBondContact O-CA 3.45Å; L317-I339 HydrophobicContact CB-CB 4.1Å; L317-I339 HydrophobicContact CB-CD1 4.07Å; L317-I339 HydrophobicContact CB-CG1 4.09Å; L317-I339 HydrophobicContact CD2-CD1 3.65Å; L317-I339 HydrophobicContact CD2-CG1 4.17Å; L317-I339 HydrophobicContact CG-CD1 4.41Å; L317-I339 PolarHBondContact O-N 3.44Å; L317-I362 HydrophobicContact CD1-CG1 4.5Å; L317-I362 HydrophobicContact CD2-CD1 3.79Å; L317-I362 HydrophobicContact CD2-CG1 4.19Å; L317-I373 HydrophobicContact CD1-CG2 3.57Å; L317-L375 HydrophobicContact CB-CD2 4.32Å; L317-L375 HydrophobicContact CD1-CD2 3.62Å; L317-L375 HydrophobicContact CD1-CG 4.29Å; L317-M458 HydrophobicContact CB-CE 3.99Å; L317-M458 HydrophobicContact CD2-CE 3.98Å; L317-M458 HydrophobicContact CG-CE 4.47Å; L317-M488 HydrophobicContact CD2-SD 4.1Å
318	E	97.1	Very high	90.6	Very high	78 Å²	78	58.5 Å²	58.5	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.3	171.9	-173.4	175.5	-165.2	0	0	108.8	K315 I373 T374	K315-E318 WeakPolarHBondContact CE-OE2 3.27Å; K315-E318 IonicContact NZ-OE2 2.8Å; K315-E318 PolarHBondContact NZ-OE2 2.86Å; E318-I373 WeakPolarHBondContact O-CA 3.41Å; E318-T374 PolarHBondContact N-O 3.32Å; E318-T374 PolarHBondContact O-N 3.39Å
319	V	98.1	Very high	90.7	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	177.6	-179.5	0	0	0	0	107.4	L317 L322 L335 S336 F337 T372 I373	L317-V319 HydrophobicContact CD1-CG2 4.22Å; L317-V319 HydrophobicContact CD2-CG2 3.95Å; L317-V319 HydrophobicContact CG-CG2 4Å; V319-L322 HydrophobicContact CG1-CB 3.49Å; V319-L322 VanDerWaalsContact CG1-CB 3.49Å; V319-L322 HydrophobicContact CG1-CD2 3.71Å; V319-L322 HydrophobicContact CG1-CG 4.14Å; V319-L335 HydrophobicContact CG1-CG 4.48Å; V319-S336 CarbonylContact O-C 3.59Å; V319-S336 WeakPolarHBondContact O-CA 3.31Å; V319-F337 HydrophobicContact CB-CD1 3.86Å; V319-F337 HydrophobicContact CB-CE1 3.71Å; V319-F337 HydrophobicContact CB-CZ 4.27Å; V319-F337 HydrophobicContact CG1-CD1 4.28Å; V319-F337 HydrophobicContact CG1-CE1 4.02Å; V319-F337 HydrophobicContact CG2-CD1 4.21Å; V319-F337 HydrophobicContact CG2-CE1 3.6Å; V319-F337 HydrophobicContact CG2-CE2 4.36Å; V319-F337 HydrophobicContact CG2-CZ 3.7Å; V319-F337 PolarHBondContact N-O 3.22Å; V319-F337 PolarHBondContact O-N 3.13Å; V319-F337 VanDerWaalsContact O-O 3.13Å; V319-T372 WeakPolarHBondContact CA-O 3.45Å; V319-I373 HydrophobicContact CG1-CG1 4.47Å; V319-I373 HydrophobicContact CG2-CG1 4.39Å; V319-I373 HydrophobicContact CG2-CG2 4.42Å
320	S	97.8	Very high	90.9	Very high	34 Å²	34	61.3 Å²	61.3	24%	0.238	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.2	-176.3	-56.9	0	0	0	0	111	L322 G371 T372	S320-L322 PolarHBondContact O-N 2.94Å; S320-L322 VanDerWaalsContact O-N 3.16Å; S320-G371 CarbonylContact O-C 3.58Å; S320-G371 WeakPolarHBondContact O-CA 3.29Å; S320-T372 PolarHBondContact N-O 3.35Å; S320-T372 PolarHBondContact O-N 3.44Å
321	N	97.2	Very high	91.1	Very high	89 Å²	89	58.7 Å²	58.7	48%	0.476	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.2	39.7	177.1	-54.9	103	0	0	0	113.2	R323 D334 L335 S336 G371	N321-R323 PolarHBondContact O-N 3.45Å; N321-D334 WeakPolarHBondContact CA-OD1 3.11Å; N321-D334 WeakPolarHBondContact CB-OD1 3.21Å; N321-D334 PolarHBondContact ND2-OD1 2.85Å; N321-L335 PolarHBondContact N-O 2.81Å; N321-S336 PolarHBondContact N-OG 2.85Å; N321-G371 VanDerWaalsContact O-CA 3.24Å; N321-G371 WeakPolarHBondContact O-CA 3.43Å
322	L	96.8	Very high	91.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.5	-175.1	-177.7	70.2	0	0	0	109.9	V319 S320 I332 D334 L335 L358 M361 P368 I373	V319-L322 HydrophobicContact CG1-CB 3.49Å; V319-L322 VanDerWaalsContact CG1-CB 3.49Å; V319-L322 HydrophobicContact CG1-CD2 3.71Å; V319-L322 HydrophobicContact CG1-CG 4.14Å; S320-L322 PolarHBondContact O-N 2.94Å; S320-L322 VanDerWaalsContact O-N 3.16Å; L322-I332 HydrophobicContact CD2-CD1 4.26Å; L322-I332 HydrophobicContact CG-CG2 4.5Å; L322-D334 PolarHBondContact O-N 3.12Å; L322-L335 HydrophobicContact CB-CB 4.24Å; L322-L335 WeakPolarHBondContact CB-O 3.42Å; L322-L335 HydrophobicContact CD2-CD2 4.42Å; L322-L335 PolarHBondContact N-O 2.8Å; L322-L335 PolarHBondContact O-N 3.25Å; L322-L358 HydrophobicContact CD2-CD1 3.82Å; L322-M361 HydrophobicContact CD1-CE 4.42Å; L322-M361 HydrophobicContact CD1-SD 4.32Å; L322-M361 HydrophobicContact CD2-CE 3.88Å; L322-M361 HydrophobicContact CG-CE 4.43Å; L322-P368 HydrophobicContact CD1-CB 3.44Å; L322-P368 VanDerWaalsContact CD1-CB 3.44Å; L322-P368 HydrophobicContact CD1-CG 4.3Å; L322-I373 HydrophobicContact CD1-CD1 3.88Å; L322-I373 HydrophobicContact CD1-CG1 3.82Å; L322-I373 HydrophobicContact CD2-CD1 4.01Å; L322-I373 HydrophobicContact CD2-CG1 4.37Å
323	R	95.8	Very high	91.7	Very high	97 Å²	97	52 Å²	52	37%	0.366	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.1	173.8	-160.5	174.6	-177.5	-176.6	-3.1	110.3	N321 L330 I332 D333 D369 S370	N321-R323 PolarHBondContact O-N 3.45Å; R323-L330 HydrophobicContact CG-CD1 3.86Å; R323-I332 WeakPolarHBondContact CA-O 3.24Å; R323-I332 WeakPolarHBondContact CG-O 3.15Å; R323-D333 IonicContact NE-OD1 3.83Å; R323-D369 PolarHBondContact O-N 2.82Å; R323-S370 WeakPolarHBondContact CB-OG 3.31Å; R323-S370 PolarHBondContact N-O 2.52Å; R323-S370 PolarHBondContact O-N 3.06Å
324	K	95.1	Very high	91.9	Very high	20 Å²	20	55.4 Å²	55.4	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.8	175.5	-172	61.9	-174.6	174.6	0	112.6	L331 I332 T357 M361 E366 Q367 D369	K324-L331 PolarHBondContact O-N 3.06Å; K324-I332 HydrophobicContact CB-CB 4.34Å; K324-I332 PolarHBondContact N-O 2.81Å; K324-I332 PolarHBondContact O-N 2.99Å; K324-T357 HydrophobicContact CG-CG2 3.93Å; K324-M361 HydrophobicContact CB-CE 4.03Å; K324-M361 HydrophobicContact CB-SD 4.08Å; K324-M361 HydrophobicContact CD-SD 3.95Å; K324-M361 HydrophobicContact CG-CE 4.18Å; K324-M361 HydrophobicContact CG-SD 3.96Å; K324-E366 WeakPolarHBondContact CE-OE1 3.43Å; K324-E366 IonicContact NZ-OE1 3.35Å; K324-Q367 PolarHBondContact NZ-O 3.01Å; K324-D369 IonicContact NZ-OD1 3.5Å; K324-D369 PolarHBondContact NZ-OD1 3.43Å
325	S	92.3	Very high	92.4	Very high	28 Å²	28	50.1 Å²	50.1	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.4	177.1	65.8	0	0	0	0	112	R329 D369	S325-R329 CarbonylContact C-O 3.49Å; S325-R329 VanDerWaalsContact CA-O 3.24Å; S325-R329 WeakPolarHBondContact CA-O 3.17Å; S325-R329 WeakPolarHBondContact CB-O 3.23Å; S325-D369 WeakPolarHBondContact CB-OD2 3.49Å; S325-D369 PolarHBondContact N-OD2 2.62Å; S325-D369 PolarHBondContact OG-OD2 2.82Å
326	Y	84.8	Confident	92.7	Very high	133 Å²	133	48.2 Å²	48.2	52%	0.522	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.6	171.3	-119.2	-82	0	0	0	109	D328 R329 L331 E366	Y326-D328 PolarHBondContact O-N 3.17Å; Y326-R329 PolarHBondContact N-O 2.85Å; Y326-R329 WeakPolarHBondContact O-CB 3.15Å; Y326-R329 PolarHBondContact O-N 2.59Å; Y326-L331 HydrophobicContact CD2-CD1 3.94Å; Y326-L331 HydrophobicContact CG-CD1 4.48Å; Y326-E366 VanDerWaalsContact CE2-OE1 3.23Å; Y326-E366 WeakPolarHBondContact CE2-OE1 3.42Å
327	G	84.3	Confident	92.9	Very high	66 Å²	66	48.9 Å²	48.9	68%	0.68	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-125.5	-168.4	0	0	0	0	0	110.3	R329	G327-R329 VanDerWaalsContact C-N 3.34Å
328	D	80.9	Confident	92.8	Very high	100 Å²	100	52.2 Å²	52.2	54%	0.535	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.2	179.6	-57.2	-32.5	0	0	0	113.5	Y326 R545 I546	Y326-D328 PolarHBondContact O-N 3.17Å; D328-R545 WeakPolarHBondContact O-CA 3.26Å; D328-I546 PolarHBondContact O-N 2.7Å; D328-I546 VanDerWaalsContact O-N 3.11Å
329	R	83.8	Confident	92.7	Very high	134 Å²	134	48.8 Å²	48.8	51%	0.506	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.7	-175.9	-60.3	-179.6	-175	-178.7	-0.2	110.7	S325 Y326 G327 Y543	S325-R329 CarbonylContact C-O 3.49Å; S325-R329 VanDerWaalsContact CA-O 3.24Å; S325-R329 WeakPolarHBondContact CA-O 3.17Å; S325-R329 WeakPolarHBondContact CB-O 3.23Å; Y326-R329 PolarHBondContact N-O 2.85Å; Y326-R329 WeakPolarHBondContact O-CB 3.15Å; Y326-R329 PolarHBondContact O-N 2.59Å; G327-R329 VanDerWaalsContact C-N 3.34Å; R329-Y543 HydrophobicContact CB-CD1 3.85Å; R329-Y543 HydrophobicContact CB-CE1 4.49Å; R329-Y543 HydrophobicContact CB-CG 4.04Å; R329-Y543 HydrophobicContact CG-CD1 4.21Å; R329-Y543 HydrophobicContact CG-CD2 4.35Å; R329-Y543 HydrophobicContact CG-CG 3.95Å
330	L	88.4	Confident	92.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.5	169.6	-169.5	63.2	0	0	0	109.9	R323 D333 K544 I546	R323-L330 HydrophobicContact CG-CD1 3.86Å; L330-D333 HydrophobicContact CD2-CB 3.59Å; L330-D333 HydrophobicContact CG-CB 4.18Å; L330-K544 HydrophobicContact CB-CB 4.35Å; L330-K544 HydrophobicContact CD2-CB 4.49Å; L330-K544 HydrophobicContact CD2-CD 4.05Å; L330-K544 PolarHBondContact N-O 3.34Å; L330-I546 HydrophobicContact CB-CG1 4.41Å
331	L	89.9	Confident	91.9	Very high	14 Å²	14	52 Å²	52	7%	0.073	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-38.1	-178.7	-60.6	-177.8	0	0	0	112.1	K324 Y326 G511 Y543	K324-L331 PolarHBondContact O-N 3.06Å; Y326-L331 HydrophobicContact CD2-CD1 3.94Å; Y326-L331 HydrophobicContact CG-CD1 4.48Å; L331-G511 WeakPolarHBondContact O-CA 3.5Å; L331-Y543 HydrophobicContact CD2-CD1 4.32Å; L331-Y543 HydrophobicContact CD2-CE1 3.85Å
332	I	93.8	Very high	91.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.5	179.5	-56.2	179	0	0	0	107.5	L322 R323 K324 L335 L358 M361 Y507 G511 V513	L322-I332 HydrophobicContact CD2-CD1 4.26Å; L322-I332 HydrophobicContact CG-CG2 4.5Å; R323-I332 WeakPolarHBondContact CA-O 3.24Å; R323-I332 WeakPolarHBondContact CG-O 3.15Å; K324-I332 HydrophobicContact CB-CB 4.34Å; K324-I332 PolarHBondContact N-O 2.81Å; K324-I332 PolarHBondContact O-N 2.99Å; I332-L335 HydrophobicContact CG2-CB 3.41Å; I332-L335 VanDerWaalsContact CG2-CB 3.41Å; I332-L335 HydrophobicContact CG2-CD2 3.97Å; I332-L335 HydrophobicContact CG2-CG 4.35Å; I332-L358 HydrophobicContact CD1-CB 4.49Å; I332-M361 HydrophobicContact CD1-CE 3.88Å; I332-Y507 HydrophobicContact CD1-CE1 4.07Å; I332-Y507 HydrophobicContact CG1-CE1 3.89Å; I332-G511 CarbonylContact C-O 3.35Å; I332-G511 WeakPolarHBondContact CA-O 3.31Å; I332-V513 HydrophobicContact CG1-CG2 4.38Å; I332-V513 HydrophobicContact CG2-CG2 4.32Å
333	D	93.4	Very high	91.3	Very high	47 Å²	47	48 Å²	48	25%	0.251	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.1	176.6	-156.1	16.4	0	0	0	109.5	R323 L330 L335 G511 K544	R323-D333 IonicContact NE-OD1 3.83Å; L330-D333 HydrophobicContact CD2-CB 3.59Å; L330-D333 HydrophobicContact CG-CB 4.18Å; D333-L335 PolarHBondContact O-N 2.99Å; D333-G511 PolarHBondContact N-O 3.5Å; D333-K544 IonicContact OD2-NZ 3.08Å; D333-K544 PolarHBondContact OD2-NZ 3.02Å
334	D	93.6	Very high	91.3	Very high	98 Å²	98	43.4 Å²	43.4	52%	0.524	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	44.8	173.3	-162	31.3	0	0	0	116.4	N321 L322 S336	N321-D334 WeakPolarHBondContact CA-OD1 3.11Å; N321-D334 WeakPolarHBondContact CB-OD1 3.21Å; N321-D334 PolarHBondContact ND2-OD1 2.85Å; L322-D334 PolarHBondContact O-N 3.12Å; D334-S336 PolarHBondContact O-N 2.98Å
335	L	96	Very high	91.4	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.6	178.6	173.9	58.5	0	0	0	111.4	V319 N321 L322 I332 D333 F337 L505 V513	V319-L335 HydrophobicContact CG1-CG 4.48Å; N321-L335 PolarHBondContact N-O 2.81Å; L322-L335 HydrophobicContact CB-CB 4.24Å; L322-L335 WeakPolarHBondContact CB-O 3.42Å; L322-L335 HydrophobicContact CD2-CD2 4.42Å; L322-L335 PolarHBondContact N-O 2.8Å; L322-L335 PolarHBondContact O-N 3.25Å; I332-L335 HydrophobicContact CG2-CB 3.41Å; I332-L335 VanDerWaalsContact CG2-CB 3.41Å; I332-L335 HydrophobicContact CG2-CD2 3.97Å; I332-L335 HydrophobicContact CG2-CG 4.35Å; D333-L335 PolarHBondContact O-N 2.99Å; L335-F337 HydrophobicContact CD1-CD1 3.65Å; L335-F337 HydrophobicContact CD1-CE1 4.14Å; L335-F337 HydrophobicContact CD2-CD1 4.15Å; L335-F337 HydrophobicContact CD2-CE1 3.78Å; L335-F337 HydrophobicContact CG-CD1 3.79Å; L335-F337 HydrophobicContact CG-CE1 3.92Å; L335-L505 HydrophobicContact CD1-CD1 4.16Å; L335-V513 HydrophobicContact CD1-CB 4.01Å; L335-V513 HydrophobicContact CD1-CG1 4.07Å; L335-V513 HydrophobicContact CD2-CB 4.08Å; L335-V513 HydrophobicContact CD2-CG1 3.97Å; L335-V513 HydrophobicContact CD2-CG2 4.45Å; L335-V513 HydrophobicContact CG-CB 4.46Å
336	S	97.5	Very high	91.7	Very high	61 Å²	61	41.1 Å²	41.1	43%	0.427	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.5	172.4	-54.8	0	0	0	0	111.2	V319 N321 D334	V319-S336 CarbonylContact O-C 3.59Å; V319-S336 WeakPolarHBondContact O-CA 3.31Å; N321-S336 PolarHBondContact N-OG 2.85Å; D334-S336 PolarHBondContact O-N 2.98Å
337	F	97.1	Very high	92.3	Very high	15 Å²	15	34.8 Å²	34.8	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166.3	174.4	69.2	-80.8	0	0	0	111.1	L317 V319 L335 I339 M488 L505 F515	L317-F337 HydrophobicContact CD2-CE2 4.11Å; L317-F337 HydrophobicContact CD2-CZ 4.13Å; V319-F337 HydrophobicContact CB-CD1 3.86Å; V319-F337 HydrophobicContact CB-CE1 3.71Å; V319-F337 HydrophobicContact CB-CZ 4.27Å; V319-F337 HydrophobicContact CG1-CD1 4.28Å; V319-F337 HydrophobicContact CG1-CE1 4.02Å; V319-F337 HydrophobicContact CG2-CD1 4.21Å; V319-F337 HydrophobicContact CG2-CE1 3.6Å; V319-F337 HydrophobicContact CG2-CE2 4.36Å; V319-F337 HydrophobicContact CG2-CZ 3.7Å; V319-F337 PolarHBondContact N-O 3.22Å; V319-F337 PolarHBondContact O-N 3.13Å; V319-F337 VanDerWaalsContact O-O 3.13Å; L335-F337 HydrophobicContact CD1-CD1 3.65Å; L335-F337 HydrophobicContact CD1-CE1 4.14Å; L335-F337 HydrophobicContact CD2-CD1 4.15Å; L335-F337 HydrophobicContact CD2-CE1 3.78Å; L335-F337 HydrophobicContact CG-CD1 3.79Å; L335-F337 HydrophobicContact CG-CE1 3.92Å; F337-I339 HydrophobicContact CD2-CG1 4.02Å; F337-I339 HydrophobicContact CE2-CD1 3.94Å; F337-I339 HydrophobicContact CE2-CG1 3.65Å; F337-M488 HydrophobicContact CE2-CE 4.44Å; F337-M488 HydrophobicContact CZ-CE 4.26Å; F337-L505 HydrophobicContact CD1-CD1 4.41Å; F337-L505 HydrophobicContact CE1-CD1 4.38Å; F337-L505 HydrophobicContact CE1-CD2 4.5Å; F337-L505 HydrophobicContact CZ-CD2 4.39Å; F337-F515 HydrophobicContact CB-CB 3.93Å; F337-F515 HydrophobicContact CB-CD1 3.7Å; F337-F515 HydrophobicContact CB-CD2 4.23Å; F337-F515 HydrophobicContact CB-CE1 4.22Å; F337-F515 HydrophobicContact CB-CG 3.69Å; F337-F515 AromaticContact CD2-CD2 3.97Å; F337-F515 HydrophobicContact CD2-CD2 3.97Å; F337-F515 HydrophobicContact CD2-CE1 4.5Å; F337-F515 AromaticContact CD2-CE2 3.89Å; F337-F515 HydrophobicContact CD2-CE2 3.89Å; F337-F515 HydrophobicContact CD2-CG 4.29Å; F337-F515 HydrophobicContact CD2-CZ 4.16Å; F337-F515 HydrophobicContact CE2-CE2 4.44Å; F337-F515 HydrophobicContact CG-CB 4.45Å; F337-F515 HydrophobicContact CG-CD1 4.47Å; F337-F515 HydrophobicContact CG-CD2 4.17Å; F337-F515 HydrophobicContact CG-CG 4.12Å
338	S	95.5	Very high	92.7	Very high	73 Å²	73	32.1 Å²	32.1	51%	0.51	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.1	170.9	63.3	0	0	0	0	110.4	L317	L317-S338 CarbonylContact O-C 3.56Å; L317-S338 VanDerWaalsContact O-CA 3.3Å; L317-S338 WeakPolarHBondContact O-CA 3.45Å
339	I	94.3	Very high	93.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.3	176.4	-59.9	-172.7	0	0	0	108	V316 L317 F337 A343 V345 M458 C486 M488	V316-I339 WeakPolarHBondContact CB-O 3.22Å; V316-I339 HydrophobicContact CG1-CG2 4.47Å; L317-I339 HydrophobicContact CB-CB 4.1Å; L317-I339 HydrophobicContact CB-CD1 4.07Å; L317-I339 HydrophobicContact CB-CG1 4.09Å; L317-I339 HydrophobicContact CD2-CD1 3.65Å; L317-I339 HydrophobicContact CD2-CG1 4.17Å; L317-I339 HydrophobicContact CG-CD1 4.41Å; L317-I339 PolarHBondContact O-N 3.44Å; F337-I339 HydrophobicContact CD2-CG1 4.02Å; F337-I339 HydrophobicContact CE2-CD1 3.94Å; F337-I339 HydrophobicContact CE2-CG1 3.65Å; I339-A343 HydrophobicContact CG2-CB 3.78Å; I339-V345 HydrophobicContact CD1-CG2 3.84Å; I339-V345 HydrophobicContact CG1-CG2 4.11Å; I339-V345 HydrophobicContact CG2-CG2 4.35Å; I339-M458 HydrophobicContact CD1-CE 4.04Å; I339-C486 HydrophobicContact CG2-CB 4.4Å; I339-M488 HydrophobicContact CD1-CE 4.02Å; I339-M488 HydrophobicContact CD1-CG 3.8Å; I339-M488 HydrophobicContact CD1-SD 3.51Å; I339-M488 VanDerWaalsContact CD1-SD 3.51Å
340	P	89.8	Confident	93.2	Very high	55 Å²	55	21.7 Å²	21.7	36%	0.357	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-75.3	160.1	172.5	29.6	-30.7	0	0	0	111.2	A343 C486	P340-A343 HydrophobicContact CG-CB 4.03Å; P340-A343 VanDerWaalsContact O-CB 3.25Å; P340-A343 WeakPolarHBondContact O-CB 3.46Å; P340-A343 PolarHBondContact O-N 3.33Å; P340-C486 PolarHBondContact O-SG 2.95Å
341	K	89.6	Confident	93	Very high	49 Å²	49	24.3 Å²	24.3	21%	0.213	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140.2	175.7	71.3	-178.9	177.2	-167.9	0	112.1	L284 F287 L312 D314 V316 A343	L284-K341 HydrophobicContact CD1-CG 3.91Å; F287-K341 HydrophobicContact CD1-CD 4.16Å; F287-K341 HydrophobicContact CD1-CG 4.38Å; F287-K341 HydrophobicContact CE1-CB 4.35Å; F287-K341 HydrophobicContact CE1-CD 4.08Å; F287-K341 HydrophobicContact CE1-CG 4.32Å; F287-K341 HydrophobicContact CZ-CB 4.43Å; L312-K341 HydrophobicContact CD2-CB 4.28Å; D314-K341 WeakPolarHBondContact OD1-CD 3.35Å; D314-K341 VanDerWaalsContact OD1-CE 3.31Å; D314-K341 WeakPolarHBondContact OD1-CE 3.35Å; D314-K341 IonicContact OD1-NZ 3.58Å; D314-K341 PolarHBondContact OD1-NZ 3.19Å; V316-K341 HydrophobicContact CG2-CB 4.16Å; K341-A343 PolarHBondContact O-N 3.43Å
342	G	88.7	Confident	92.6	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	3.2	-178.4	0	0	0	0	0	115.4	R283 F287 C486	R283-G342 WeakPolarHBondContact CD-O 3.43Å; R283-G342 PolarHBondContact NE-O 2.84Å; F287-G342 VanDerWaalsContact CD2-CA 3.45Å; G342-C486 PolarHBondContact N-SG 3.21Å
343	A	93.2	Very high	92.2	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	17%	0.17	C	C	.	.			trans	-70.8	143.4	177.7	0	0	0	0	0	112.6	I339 P340 K341 C486 A487 T502	I339-A343 HydrophobicContact CG2-CB 3.78Å; P340-A343 HydrophobicContact CG-CB 4.03Å; P340-A343 VanDerWaalsContact O-CB 3.25Å; P340-A343 WeakPolarHBondContact O-CB 3.46Å; P340-A343 PolarHBondContact O-N 3.33Å; K341-A343 PolarHBondContact O-N 3.43Å; A343-C486 PolarHBondContact N-SG 2.88Å; A343-C486 WeakPolarHBondContact O-CA 3.37Å; A343-C486 WeakPolarHBondContact O-CB 3.44Å; A343-A487 PolarHBondContact O-N 3.43Å; A343-T502 WeakPolarHBondContact CA-OG1 3.32Å
344	I	96	Very high	92	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.3	163.7	-63.7	-163.6	0	0	0	107.7	R283 L480 A487 I500 T502 H503	R283-I344 VanDerWaalsContact CZ-CD1 3.42Å; I344-L480 HydrophobicContact CD1-CB 4.09Å; I344-L480 WeakPolarHBondContact CD1-O 3.35Å; I344-A487 CarbonylContact C-O 3.52Å; I344-A487 VanDerWaalsContact CA-O 3.29Å; I344-A487 WeakPolarHBondContact CA-O 3.48Å; I344-A487 HydrophobicContact CD1-CB 4.44Å; I344-A487 HydrophobicContact CG1-CB 4.22Å; I344-A487 HydrophobicContact CG2-CB 4.42Å; I344-I500 WeakPolarHBondContact CB-O 3.32Å; I344-I500 HydrophobicContact CD1-CB 4.41Å; I344-I500 HydrophobicContact CG2-CB 4.4Å; I344-I500 HydrophobicContact CG2-CD1 3.83Å; I344-I500 HydrophobicContact CG2-CG1 3.97Å; I344-T502 PolarHBondContact N-OG1 3.36Å; I344-T502 PolarHBondContact O-N 3.1Å; I344-T502 PolarHBondContact O-OG1 3.2Å; I344-H503 PolarHBondContact O-N 2.9Å; I344-H503 VanDerWaalsContact O-N 3.15Å
345	V	97.2	Very high	92	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.4	178.9	-173.3	0	0	0	0	108.5	I339 I347 A487 M488 V489 H503 L505 F515	I339-V345 HydrophobicContact CD1-CG2 3.84Å; I339-V345 HydrophobicContact CG1-CG2 4.11Å; I339-V345 HydrophobicContact CG2-CG2 4.35Å; V345-I347 HydrophobicContact CG1-CG1 4.41Å; V345-A487 PolarHBondContact N-O 3.02Å; V345-M488 HydrophobicContact CB-CG 4.21Å; V345-M488 HydrophobicContact CG1-CE 4.42Å; V345-M488 HydrophobicContact CG2-CG 4.49Å; V345-M488 CarbonylContact O-C 3.54Å; V345-M488 WeakPolarHBondContact O-CA 3.44Å; V345-V489 PolarHBondContact O-N 3.31Å; V345-H503 CarbonylContact C-O 3.59Å; V345-H503 WeakPolarHBondContact CA-O 3.45Å; V345-H503 HydrophobicContact CG1-CB 4.47Å; V345-H503 HydrophobicContact CG2-CB 4.25Å; V345-L505 HydrophobicContact CG1-CB 3.89Å; V345-F515 HydrophobicContact CG1-CE2 3.98Å; V345-F515 HydrophobicContact CG2-CE2 4.17Å
346	G	97.2	Very high	91.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.2	166.6	0	0	0	0	0	109.9	V489 H503 I504 L505	G346-V489 CarbonylContact C-O 3.57Å; G346-V489 WeakPolarHBondContact CA-O 3.25Å; G346-H503 PolarHBondContact N-O 3.46Å; G346-I504 CarbonylContact O-C 3.57Å; G346-I504 WeakPolarHBondContact O-CA 2.98Å; G346-L505 PolarHBondContact O-N 2.88Å
347	I	97.2	Very high	91.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.6	177.5	-52.8	178.8	0	0	0	108.5	V345 K355 F359 M488 V489 I490 S491 L505 Y507	V345-I347 HydrophobicContact CG1-CG1 4.41Å; I347-K355 HydrophobicContact CG2-CB 4.15Å; I347-K355 HydrophobicContact CG2-CD 4.05Å; I347-K355 HydrophobicContact CG2-CG 3.87Å; I347-F359 HydrophobicContact CD1-CD1 4.37Å; I347-F359 HydrophobicContact CD1-CE1 3.43Å; I347-F359 VanDerWaalsContact CD1-CE1 3.43Å; I347-F359 HydrophobicContact CD1-CZ 3.89Å; I347-M488 HydrophobicContact CD1-CB 4.23Å; I347-M488 HydrophobicContact CD1-CE 3.72Å; I347-M488 HydrophobicContact CG1-CE 4.43Å; I347-V489 PolarHBondContact N-O 2.86Å; I347-I490 HydrophobicContact CB-CB 4.49Å; I347-I490 HydrophobicContact CB-CG1 3.91Å; I347-I490 HydrophobicContact CD1-CG1 3.96Å; I347-I490 HydrophobicContact CG1-CG1 4.42Å; I347-I490 HydrophobicContact CG2-CG1 4.21Å; I347-S491 PolarHBondContact O-N 2.84Å; I347-L505 WeakPolarHBondContact CA-O 3.42Å; I347-L505 HydrophobicContact CD1-CD2 4.34Å; I347-L505 HydrophobicContact CG1-CB 4.21Å; I347-L505 HydrophobicContact CG1-CD2 4.27Å; I347-L505 HydrophobicContact CG2-CD2 4.47Å; I347-Y507 HydrophobicContact CG2-CD2 3.86Å; I347-Y507 HydrophobicContact CG2-CE2 3.67Å
348	I	93.9	Very high	91.4	Very high	10 Å²	10	19 Å²	19	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	173.9	179.5	63.2	173.2	0	0	0	110.5	L497 I504 L505 D506 Y507 F520 Y523	I348-L497 HydrophobicContact CG2-CD1 3.2Å; I348-I504 HydrophobicContact CD1-CG2 3.69Å; I348-I504 HydrophobicContact CG1-CG2 3.82Å; I348-L505 PolarHBondContact N-O 3.4Å; I348-D506 HydrophobicContact CD1-CB 4.08Å; I348-D506 HydrophobicContact CG1-CB 3.83Å; I348-D506 WeakPolarHBondContact CG1-OD1 3.36Å; I348-Y507 PolarHBondContact O-N 3.48Å; I348-F520 HydrophobicContact CD1-CD2 4.04Å; I348-F520 HydrophobicContact CD1-CE2 3.86Å; I348-F520 HydrophobicContact CG2-CD2 4.38Å; I348-Y523 HydrophobicContact CD1-CD1 3.86Å; I348-Y523 HydrophobicContact CD1-CE1 3.87Å
349	G	90	Very high	91.3	Very high	11 Å²	11	15.7 Å²	15.7	11%	0.113	11%	0.106	C	C	.	.			trans	116.6	167.8	-178.4	0	0	0	0	0	111.7	K355 H492 Y507	G349-K355 WeakPolarHBondContact O-CE 3.39Å; G349-K355 PolarHBondContact O-NZ 2.62Å; G349-H492 PolarHBondContact O-CE1 3.11Å; G349-Y507 WeakPolarHBondContact CA-O 3.29Å
350	P	85.2	Confident	91.2	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.026	12%	0.117	C	C	.	.			trans	-75.4	166.1	-158	30.6	-36	0	0	0	114.1	R145 G352 A353 Y507 I541	R145-P350 VanDerWaalsContact CZ-CB 3.46Å; P350-G352 PolarHBondContact O-N 3.08Å; P350-A353 HydrophobicContact CG-CB 4.11Å; P350-A353 VanDerWaalsContact O-CB 3.25Å; P350-A353 WeakPolarHBondContact O-CB 3.24Å; P350-A353 PolarHBondContact O-N 2.99Å; P350-Y507 WeakPolarHBondContact CD-O 3.43Å; P350-I541 HydrophobicContact CB-CD1 3.65Å; P350-I541 HydrophobicContact CB-CG1 3.74Å; P350-I541 HydrophobicContact CG-CD1 3.66Å; P350-I541 HydrophobicContact CG-CG1 3.6Å
351	N	83.5	Confident	91.4	Very high	57 Å²	57	16.6 Å²	16.6	31%	0.305	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	125.5	179.8	-72.9	-35.3	0	0	0	111.3	R163 H185 I541	R163-N351 PolarHBondContact NH1-ND2 2.9Å; H185-N351 PolarHBondContact O-ND2 3.46Å; N351-I541 WeakPolarHBondContact O-CD1 3.32Å
352	G	81.6	Confident	91.6	Very high	54 Å²	54	14.6 Å²	14.6	56%	0.557	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	3.1	-178.7	0	0	0	0	0	115.2	P350 G354 Y543	P350-G352 PolarHBondContact O-N 3.08Å; G352-G354 PolarHBondContact O-N 2.86Å; G352-G354 VanDerWaalsContact O-N 3.12Å; G352-Y543 PolarHBondContact O-OH 3.1Å
353	A	86.7	Confident	91.7	Very high	7 Å²	7	15.8 Å²	15.8	6%	0.058	10%	0.102	C	C	.	.	S	Bend	trans	-68.2	-7.3	178	0	0	0	0	0	114.9	P350 Y507	P350-A353 HydrophobicContact CG-CB 4.11Å; P350-A353 VanDerWaalsContact O-CB 3.25Å; P350-A353 WeakPolarHBondContact O-CB 3.24Å; P350-A353 PolarHBondContact O-N 2.99Å; A353-Y507 HydrophobicContact CB-CD1 3.93Å; A353-Y507 HydrophobicContact CB-CG 4.18Å; A353-Y507 WeakPolarHBondContact O-CD1 3.49Å; A353-Y507 WeakPolarHBondContact O-CE1 3.37Å
354	G	89	Confident	91.5	Very high	6 Å²	6	18.1 Å²	18.1	6%	0.062	13%	0.126	C	C	.	.	S	Bend	trans	98.6	16.4	179.4	0	0	0	0	0	115.3	G352 T357 L358	G352-G354 PolarHBondContact O-N 2.86Å; G352-G354 VanDerWaalsContact O-N 3.12Å; G354-T357 WeakPolarHBondContact O-CA 3.48Å; G354-T357 VanDerWaalsContact O-CB 3.26Å; G354-T357 WeakPolarHBondContact O-CB 3.31Å; G354-T357 PolarHBondContact O-N 2.87Å; G354-T357 VanDerWaalsContact O-N 3.15Å; G354-L358 PolarHBondContact O-N 2.96Å
355	K	93.3	Very high	91.2	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.057	15%	0.148	C	C	.	.	H	α-helix	trans	-55.9	-54.7	176.2	-58.5	177.7	-62.3	-173.6	0	112.2	I347 G349 T357 L358 F359 E463 I490 H492 Y507	I347-K355 HydrophobicContact CG2-CB 4.15Å; I347-K355 HydrophobicContact CG2-CD 4.05Å; I347-K355 HydrophobicContact CG2-CG 3.87Å; G349-K355 WeakPolarHBondContact O-CE 3.39Å; G349-K355 PolarHBondContact O-NZ 2.62Å; K355-T357 PolarHBondContact O-N 2.86Å; K355-L358 WeakPolarHBondContact O-CB 3.34Å; K355-L358 PolarHBondContact O-N 3.48Å; K355-L358 VanDerWaalsContact O-N 3.15Å; K355-F359 PolarHBondContact O-N 3.37Å; K355-E463 IonicContact NZ-OE1 2.72Å; K355-I490 HydrophobicContact CB-CD1 3.75Å; K355-I490 HydrophobicContact CB-CG1 4.14Å; K355-I490 HydrophobicContact CB-CG2 4.29Å; K355-I490 HydrophobicContact CD-CG2 3.97Å; K355-H492 PolarHBondContact NZ-CE1 2.72Å; K355-H492 PolarHBondContact NZ-NE2 2.65Å; K355-Y507 HydrophobicContact CG-CD1 4.46Å; K355-Y507 HydrophobicContact CG-CD2 3.76Å; K355-Y507 HydrophobicContact CG-CE2 3.96Å; K355-Y507 HydrophobicContact CG-CG 4.03Å
356	S	90.5	Very high	90.9	Very high	38 Å²	38	24 Å²	24	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-67	-26.3	176.2	-43	0	0	0	0	112.5	L358 F359 R360 D462	S356-L358 VanDerWaalsContact C-N 3.32Å; S356-L358 PolarHBondContact O-N 3.25Å; S356-F359 WeakPolarHBondContact O-CB 3.36Å; S356-F359 PolarHBondContact O-N 2.72Å; S356-R360 PolarHBondContact O-N 3.43Å; S356-D462 WeakPolarHBondContact CB-OD2 3.33Å; S356-D462 PolarHBondContact OG-OD2 2.98Å
357	T	92	Very high	90.7	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-39.4	173.2	-53	0	0	0	0	111	K324 G354 K355 F359 R360 M361	K324-T357 HydrophobicContact CG-CG2 3.93Å; G354-T357 WeakPolarHBondContact O-CA 3.48Å; G354-T357 VanDerWaalsContact O-CB 3.26Å; G354-T357 WeakPolarHBondContact O-CB 3.31Å; G354-T357 PolarHBondContact O-N 2.87Å; G354-T357 VanDerWaalsContact O-N 3.15Å; K355-T357 PolarHBondContact O-N 2.86Å; T357-F359 VanDerWaalsContact C-N 3.31Å; T357-F359 PolarHBondContact O-N 3.04Å; T357-R360 PolarHBondContact O-N 3.12Å; T357-R360 PolarHBondContact OG1-NH2 2.85Å; T357-R360 VanDerWaalsContact OG1-NH2 3.16Å; T357-M361 HydrophobicContact CG2-CE 4.37Å; T357-M361 WeakPolarHBondContact O-CG 3.5Å; T357-M361 PolarHBondContact O-N 2.97Å
358	L	94.5	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-40.3	173.2	176.4	64.8	0	0	0	111.7	L322 I332 G354 K355 S356 M361 I362 I373 M488 L505 Y507	L322-L358 HydrophobicContact CD2-CD1 3.82Å; I332-L358 HydrophobicContact CD1-CB 4.49Å; G354-L358 PolarHBondContact O-N 2.96Å; K355-L358 WeakPolarHBondContact O-CB 3.34Å; K355-L358 PolarHBondContact O-N 3.48Å; K355-L358 VanDerWaalsContact O-N 3.15Å; S356-L358 VanDerWaalsContact C-N 3.32Å; S356-L358 PolarHBondContact O-N 3.25Å; L358-M361 HydrophobicContact CD1-CE 4.34Å; L358-M361 PolarHBondContact O-N 3.47Å; L358-I362 HydrophobicContact CD1-CD1 4Å; L358-I362 HydrophobicContact CD1-CG1 4.15Å; L358-I362 HydrophobicContact CD2-CD1 4.4Å; L358-I362 HydrophobicContact CG-CD1 3.79Å; L358-I362 HydrophobicContact CG-CG1 4.36Å; L358-I362 VanDerWaalsContact O-CG1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.37Å; L358-I362 PolarHBondContact O-N 3.01Å; L358-I373 HydrophobicContact CD1-CD1 4.45Å; L358-M488 HydrophobicContact CD2-CE 4.15Å; L358-L505 HydrophobicContact CD2-CD2 3.57Å; L358-Y507 WeakPolarHBondContact CB-OH 3.5Å; L358-Y507 WeakPolarHBondContact CD2-OH 3.36Å
359	F	94.1	Very high	90.7	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-40.9	175.8	-77.3	5.2	0	0	0	113	I347 K355 S356 T357 M361 I362 S363 L460 L461 D462 M488 I490	I347-F359 HydrophobicContact CD1-CD1 4.37Å; I347-F359 HydrophobicContact CD1-CE1 3.43Å; I347-F359 VanDerWaalsContact CD1-CE1 3.43Å; I347-F359 HydrophobicContact CD1-CZ 3.89Å; K355-F359 PolarHBondContact O-N 3.37Å; S356-F359 WeakPolarHBondContact O-CB 3.36Å; S356-F359 PolarHBondContact O-N 2.72Å; T357-F359 VanDerWaalsContact C-N 3.31Å; T357-F359 PolarHBondContact O-N 3.04Å; F359-M361 VanDerWaalsContact C-N 3.32Å; F359-M361 PolarHBondContact O-N 2.78Å; F359-I362 PolarHBondContact O-N 3.24Å; F359-S363 WeakPolarHBondContact O-CB 3.19Å; F359-S363 PolarHBondContact O-N 3.18Å; F359-S363 PolarHBondContact O-OG 3.21Å; F359-L460 HydrophobicContact CB-CD1 4.13Å; F359-L460 HydrophobicContact CD1-CB 4.36Å; F359-L460 HydrophobicContact CD1-CD1 4.15Å; F359-L460 HydrophobicContact CD1-CD2 4.11Å; F359-L460 HydrophobicContact CD1-CG 4.45Å; F359-L460 HydrophobicContact CD2-CB 3.84Å; F359-L460 HydrophobicContact CE1-CB 4.32Å; F359-L460 HydrophobicContact CE1-CD2 3.92Å; F359-L460 HydrophobicContact CE2-CB 3.82Å; F359-L460 HydrophobicContact CG-CB 4.11Å; F359-L460 HydrophobicContact CG-CD1 4.05Å; F359-L460 HydrophobicContact CZ-CB 4.06Å; F359-L460 HydrophobicContact CZ-CD2 4.33Å; F359-L461 WeakPolarHBondContact CE2-O 3.49Å; F359-D462 HydrophobicContact CD2-CB 4.27Å; F359-D462 HydrophobicContact CE2-CB 4.2Å; F359-M488 HydrophobicContact CE1-CB 3.65Å; F359-M488 HydrophobicContact CE1-CE 4.46Å; F359-M488 HydrophobicContact CE1-SD 4.39Å; F359-M488 HydrophobicContact CZ-CB 3.84Å; F359-M488 WeakPolarHBondContact CZ-O 3.38Å; F359-I490 HydrophobicContact CD2-CD1 3.79Å; F359-I490 HydrophobicContact CE1-CD1 4.32Å; F359-I490 HydrophobicContact CE1-CG1 4.34Å; F359-I490 HydrophobicContact CE2-CD1 3.53Å; F359-I490 HydrophobicContact CE2-CG1 3.83Å; F359-I490 HydrophobicContact CG-CD1 4.29Å; F359-I490 HydrophobicContact CZ-CD1 3.83Å; F359-I490 HydrophobicContact CZ-CG1 3.71Å
360	R	92.4	Very high	91	Very high	70 Å²	70	37.7 Å²	37.7	26%	0.264	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-38.1	173.3	-69.6	-166.2	-60.3	-98.5	-2.3	112.3	S356 T357 S363 G364 Q365 E366	S356-R360 PolarHBondContact O-N 3.43Å; T357-R360 PolarHBondContact O-N 3.12Å; T357-R360 PolarHBondContact OG1-NH2 2.85Å; T357-R360 VanDerWaalsContact OG1-NH2 3.16Å; R360-S363 WeakPolarHBondContact CA-OG 3.13Å; R360-S363 PolarHBondContact O-OG 3.29Å; R360-S363 VanDerWaalsContact O-OG 3.12Å; R360-G364 PolarHBondContact O-N 3.32Å; R360-G364 VanDerWaalsContact O-N 3.17Å; R360-Q365 HydrophobicContact CB-CB 4.26Å; R360-Q365 PolarHBondContact O-N 3.14Å; R360-E366 HydrophobicContact CB-CB 3.83Å; R360-E366 IonicContact CZ-OE2 3.83Å; R360-E366 IonicContact NE-OE2 2.99Å; R360-E366 PolarHBondContact NE-OE2 2.96Å; R360-E366 IonicContact NH2-OE2 3.63Å; R360-E366 PolarHBondContact NH2-OE2 2.92Å; R360-E366 VanDerWaalsContact NH2-OE2 3.11Å; R360-E366 PolarHBondContact O-N 3.44Å
361	M	94.1	Very high	91.5	Very high	10 Å²	10	39 Å²	39	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-42.2	174.8	-65.6	-172.5	-67.2	0	0	112.8	L322 K324 I332 T357 L358 F359 S363 G364 E366 P368 I373	L322-M361 HydrophobicContact CD1-CE 4.42Å; L322-M361 HydrophobicContact CD1-SD 4.32Å; L322-M361 HydrophobicContact CD2-CE 3.88Å; L322-M361 HydrophobicContact CG-CE 4.43Å; K324-M361 HydrophobicContact CB-CE 4.03Å; K324-M361 HydrophobicContact CB-SD 4.08Å; K324-M361 HydrophobicContact CD-SD 3.95Å; K324-M361 HydrophobicContact CG-CE 4.18Å; K324-M361 HydrophobicContact CG-SD 3.96Å; I332-M361 HydrophobicContact CD1-CE 3.88Å; T357-M361 HydrophobicContact CG2-CE 4.37Å; T357-M361 WeakPolarHBondContact O-CG 3.5Å; T357-M361 PolarHBondContact O-N 2.97Å; L358-M361 HydrophobicContact CD1-CE 4.34Å; L358-M361 PolarHBondContact O-N 3.47Å; F359-M361 VanDerWaalsContact C-N 3.32Å; F359-M361 PolarHBondContact O-N 2.78Å; M361-S363 VanDerWaalsContact C-N 3.29Å; M361-S363 PolarHBondContact O-N 3.34Å; M361-G364 PolarHBondContact O-N 3Å; M361-G364 VanDerWaalsContact O-N 3.09Å; M361-E366 WeakPolarHBondContact CA-O 3.42Å; M361-E366 HydrophobicContact CG-CB 4.04Å; M361-E366 HydrophobicContact CG-CG 4.27Å; M361-E366 WeakPolarHBondContact CG-O 3.46Å; M361-P368 HydrophobicContact SD-CB 4.06Å; M361-I373 HydrophobicContact CB-CD1 3.57Å
362	I	93.9	Very high	92.1	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-38.3	175.4	-69.2	168	0	0	0	111.4	L317 L358 F359 G364 I373 L375 L381 M458 L460 M488	L317-I362 HydrophobicContact CD1-CG1 4.5Å; L317-I362 HydrophobicContact CD2-CD1 3.79Å; L317-I362 HydrophobicContact CD2-CG1 4.19Å; L358-I362 HydrophobicContact CD1-CD1 4Å; L358-I362 HydrophobicContact CD1-CG1 4.15Å; L358-I362 HydrophobicContact CD2-CD1 4.4Å; L358-I362 HydrophobicContact CG-CD1 3.79Å; L358-I362 HydrophobicContact CG-CG1 4.36Å; L358-I362 VanDerWaalsContact O-CG1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.37Å; L358-I362 PolarHBondContact O-N 3.01Å; F359-I362 PolarHBondContact O-N 3.24Å; I362-G364 PolarHBondContact O-N 2.98Å; I362-I373 HydrophobicContact CG1-CD1 4.45Å; I362-I373 HydrophobicContact CG1-CG2 4.15Å; I362-L375 HydrophobicContact CG2-CD2 4.18Å; I362-L381 HydrophobicContact CG2-CD1 4.05Å; I362-L381 HydrophobicContact CG2-CD2 4.46Å; I362-M458 HydrophobicContact CG2-CE 4.46Å; I362-L460 HydrophobicContact CB-CD1 4.26Å; I362-L460 HydrophobicContact CG2-CD1 3.96Å; I362-L460 HydrophobicContact CG2-CD2 4.47Å; I362-M488 HydrophobicContact CD1-CE 4.12Å; I362-M488 HydrophobicContact CD1-SD 3.6Å
363	S	90.9	Very high	92.8	Very high	29 Å²	29	39.2 Å²	39.2	20%	0.203	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.2	177	58.5	0	0	0	0	114.3	F359 R360 M361 Q365	F359-S363 WeakPolarHBondContact O-CB 3.19Å; F359-S363 PolarHBondContact O-N 3.18Å; F359-S363 PolarHBondContact O-OG 3.21Å; R360-S363 WeakPolarHBondContact CA-OG 3.13Å; R360-S363 PolarHBondContact O-OG 3.29Å; R360-S363 VanDerWaalsContact O-OG 3.12Å; M361-S363 VanDerWaalsContact C-N 3.29Å; M361-S363 PolarHBondContact O-N 3.34Å; S363-Q365 VanDerWaalsContact C-N 3.26Å; S363-Q365 PolarHBondContact O-N 2.82Å
364	G	89	Confident	93.3	Very high	51 Å²	51	41.6 Å²	41.6	53%	0.526	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	9.7	178.7	0	0	0	0	0	115.1	R360 M361 I362 E366	R360-G364 PolarHBondContact O-N 3.32Å; R360-G364 VanDerWaalsContact O-N 3.17Å; M361-G364 PolarHBondContact O-N 3Å; M361-G364 VanDerWaalsContact O-N 3.09Å; I362-G364 PolarHBondContact O-N 2.98Å; G364-E366 VanDerWaalsContact C-N 3.34Å
365	Q	88.4	Confident	93.6	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	26%	0.257	S	S	.	.	S	Bend	trans	-78.6	-21.7	177.9	-61.5	176.9	7.4	0	0	112.4	R360 S363	R360-Q365 HydrophobicContact CB-CB 4.26Å; R360-Q365 PolarHBondContact O-N 3.14Å; S363-Q365 VanDerWaalsContact C-N 3.26Å; S363-Q365 PolarHBondContact O-N 2.82Å
366	E	91.1	Very high	93.7	Very high	25 Å²	25	44 Å²	44	12%	0.117	26%	0.259	C	S	.	.	S	Bend	trans	-134.2	140.1	179.7	-169.7	162.8	179.2	0	0	109.7	K324 Y326 R360 M361 G364	K324-E366 WeakPolarHBondContact CE-OE1 3.43Å; K324-E366 IonicContact NZ-OE1 3.35Å; Y326-E366 VanDerWaalsContact CE2-OE1 3.23Å; Y326-E366 WeakPolarHBondContact CE2-OE1 3.42Å; R360-E366 HydrophobicContact CB-CB 3.83Å; R360-E366 IonicContact CZ-OE2 3.83Å; R360-E366 IonicContact NE-OE2 2.99Å; R360-E366 PolarHBondContact NE-OE2 2.96Å; R360-E366 IonicContact NH2-OE2 3.63Å; R360-E366 PolarHBondContact NH2-OE2 2.92Å; R360-E366 VanDerWaalsContact NH2-OE2 3.11Å; R360-E366 PolarHBondContact O-N 3.44Å; M361-E366 WeakPolarHBondContact CA-O 3.42Å; M361-E366 HydrophobicContact CG-CB 4.04Å; M361-E366 HydrophobicContact CG-CG 4.27Å; M361-E366 WeakPolarHBondContact CG-O 3.46Å; G364-E366 VanDerWaalsContact C-N 3.34Å
367	Q	93.8	Very high	93.8	Very high	138 Å²	138	52.1 Å²	52.1	65%	0.645	29%	0.293	S	S	*	.			trans	-93.9	141.4	179.6	-67.8	-65.3	-19.5	0	0	110.9	K324	K324-Q367 PolarHBondContact NZ-O 3.01Å
368	P	95.1	Very high	93.8	Very high	34 Å²	34	54.6 Å²	54.6	22%	0.221	31%	0.307	C	S	.	.			trans	-67.7	155	170.4	31.9	-35.4	0	0	0	110.8	L322 M361	L322-P368 HydrophobicContact CD1-CB 3.44Å; L322-P368 VanDerWaalsContact CD1-CB 3.44Å; L322-P368 HydrophobicContact CD1-CG 4.3Å; M361-P368 HydrophobicContact SD-CB 4.06Å
369	D	95.4	Very high	93.8	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	32%	0.315	S	S	.	.	S	Bend	trans	-79.3	-33.3	174.6	-56.2	-18.6	0	0	0	110.2	R323 K324 S325	R323-D369 PolarHBondContact O-N 2.82Å; K324-D369 IonicContact NZ-OD1 3.5Å; K324-D369 PolarHBondContact NZ-OD1 3.43Å; S325-D369 WeakPolarHBondContact CB-OD2 3.49Å; S325-D369 PolarHBondContact N-OD2 2.62Å; S325-D369 PolarHBondContact OG-OD2 2.82Å
370	S	95.9	Very high	93.7	Very high	56 Å²	56	60.7 Å²	60.7	39%	0.392	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	167.7	166.5	71.4	0	0	0	0	111.5	R323	R323-S370 WeakPolarHBondContact CB-OG 3.31Å; R323-S370 PolarHBondContact N-O 2.52Å; R323-S370 PolarHBondContact O-N 3.06Å
371	G	95.9	Very high	93.6	Very high	31 Å²	31	58.7 Å²	58.7	32%	0.32	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-175.7	-176.3	0	0	0	0	0	112.6	S320 N321	S320-G371 CarbonylContact O-C 3.58Å; S320-G371 WeakPolarHBondContact O-CA 3.29Å; N321-G371 VanDerWaalsContact O-CA 3.24Å; N321-G371 WeakPolarHBondContact O-CA 3.43Å
372	T	96.4	Very high	93.3	Very high	76 Å²	76	58.3 Å²	58.3	47%	0.466	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.7	-175.9	58.7	0	0	0	0	111.5	V319 S320	V319-T372 WeakPolarHBondContact CA-O 3.45Å; S320-T372 PolarHBondContact N-O 3.35Å; S320-T372 PolarHBondContact O-N 3.44Å
373	I	97.2	Very high	92.8	Very high	39 Å²	39	58.1 Å²	58.1	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.7	171.3	-58.8	-173.9	0	0	0	106.1	L317 E318 V319 L322 L358 M361 I362	L317-I373 HydrophobicContact CD1-CG2 3.57Å; E318-I373 WeakPolarHBondContact O-CA 3.41Å; V319-I373 HydrophobicContact CG1-CG1 4.47Å; V319-I373 HydrophobicContact CG2-CG1 4.39Å; V319-I373 HydrophobicContact CG2-CG2 4.42Å; L322-I373 HydrophobicContact CD1-CD1 3.88Å; L322-I373 HydrophobicContact CD1-CG1 3.82Å; L322-I373 HydrophobicContact CD2-CD1 4.01Å; L322-I373 HydrophobicContact CD2-CG1 4.37Å; L358-I373 HydrophobicContact CD1-CD1 4.45Å; M361-I373 HydrophobicContact CB-CD1 3.57Å; I362-I373 HydrophobicContact CG1-CD1 4.45Å; I362-I373 HydrophobicContact CG1-CG2 4.15Å
374	T	96.3	Very high	91.7	Very high	58 Å²	58	57.3 Å²	57.3	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.3	-178.3	-53.9	0	0	0	0	109.9	E318	E318-T374 PolarHBondContact N-O 3.32Å; E318-T374 PolarHBondContact O-N 3.39Å
375	L	95.4	Very high	90.4	Very high	61 Å²	61	55.9 Å²	55.9	32%	0.319	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	143.8	169.1	-69.5	172.4	0	0	0	110.3	V316 L317 I362 V379 M458	V316-L375 WeakPolarHBondContact O-CA 3.49Å; L317-L375 HydrophobicContact CB-CD2 4.32Å; L317-L375 HydrophobicContact CD1-CD2 3.62Å; L317-L375 HydrophobicContact CD1-CG 4.29Å; I362-L375 HydrophobicContact CG2-CD2 4.18Å; L375-V379 HydrophobicContact CB-CB 4.49Å; L375-V379 HydrophobicContact CD2-CG1 4.19Å; L375-M458 HydrophobicContact CD2-CE 4.5Å; L375-M458 HydrophobicContact CD2-SD 3.84Å
376	G	94.5	Very high	88.7	Confident	8 Å²	8	55.5 Å²	55.5	8%	0.082	30%	0.3	C	S	.	.			trans	-65.9	148.9	171.8	0	0	0	0	0	112.1	K315 V316 T378 V379	K315-G376 WeakPolarHBondContact O-CA 3.34Å; V316-G376 PolarHBondContact O-N 3.02Å; G376-T378 PolarHBondContact O-N 3.42Å; G376-T378 VanDerWaalsContact O-N 3.08Å; G376-V379 VanDerWaalsContact O-CB 3.32Å; G376-V379 WeakPolarHBondContact O-CB 3.39Å; G376-V379 WeakPolarHBondContact O-CG2 3.24Å; G376-V379 PolarHBondContact O-N 3.28Å
377	E	93	Very high	87	Confident	209 Å²	209	55.5 Å²	55.5	98%	0.977	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.3	-176.3	-61.3	179.8	174.2	0	0	114
378	T	92.9	Very high	85.2	Confident	62 Å²	62	55.1 Å²	55.1	38%	0.38	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.1	178.9	54.7	0	0	0	0	113.2	G313 G376 K380 N457	G313-T378 WeakPolarHBondContact CA-OG1 3.4Å; G313-T378 PolarHBondContact N-OG1 2.83Å; G376-T378 PolarHBondContact O-N 3.42Å; G376-T378 VanDerWaalsContact O-N 3.08Å; T378-K380 PolarHBondContact O-N 3Å; T378-N457 PolarHBondContact O-ND2 2.86Å
379	V	94.1	Very high	83.2	Confident	25 Å²	25	61.3 Å²	61.3	15%	0.152	32%	0.324	C	S	.	.			trans	-73.6	121.4	-176.9	177.9	0	0	0	0	110.5	L312 V316 L375 G376 N457 M458	L312-V379 HydrophobicContact CD1-CG2 3.86Å; V316-V379 HydrophobicContact CG1-CG2 4.08Å; V316-V379 WeakPolarHBondContact O-CG2 3.31Å; L375-V379 HydrophobicContact CB-CB 4.49Å; L375-V379 HydrophobicContact CD2-CG1 4.19Å; G376-V379 VanDerWaalsContact O-CB 3.32Å; G376-V379 WeakPolarHBondContact O-CB 3.39Å; G376-V379 WeakPolarHBondContact O-CG2 3.24Å; G376-V379 PolarHBondContact O-N 3.28Å; V379-N457 WeakPolarHBondContact CA-OD1 3.42Å; V379-M458 HydrophobicContact CG1-CB 3.64Å; V379-M458 HydrophobicContact CG1-CG 4.39Å; V379-M458 HydrophobicContact CG1-SD 3.88Å
380	K	91.7	Very high	81.7	Confident	106 Å²	106	60.8 Å²	60.8	46%	0.461	33%	0.326	S	S	.	.			trans	-106.8	99.1	164.7	-173.2	-179	179.9	-169.8	0	108.1	P310 T378 G456 N457 M458	P310-K380 HydrophobicContact CG-CB 3.84Å; P310-K380 HydrophobicContact CG-CD 4.28Å; T378-K380 PolarHBondContact O-N 3Å; K380-G456 WeakPolarHBondContact O-CA 3.17Å; K380-N457 PolarHBondContact N-OD1 2.87Å; K380-N457 PolarHBondContact O-N 3.14Å; K380-N457 PolarHBondContact O-OD1 3.2Å; K380-M458 PolarHBondContact O-N 2.92Å
381	L	91.5	Very high	80.9	Confident	29 Å²	29	58.9 Å²	58.9	15%	0.152	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.2	178.6	-162.9	77.5	0	0	0	111	I362 M458 L460	I362-L381 HydrophobicContact CG2-CD1 4.05Å; I362-L381 HydrophobicContact CG2-CD2 4.46Å; L381-M458 CarbonylContact C-O 3.58Å; L381-M458 WeakPolarHBondContact CA-O 3.33Å; L381-M458 HydrophobicContact CD1-CB 4.2Å; L381-M458 HydrophobicContact CD1-CG 3.91Å; L381-M458 HydrophobicContact CD1-SD 3.94Å; L381-L460 HydrophobicContact CD1-CD1 3.87Å; L381-L460 HydrophobicContact CD1-CD2 4.2Å; L381-L460 HydrophobicContact CD1-CG 3.79Å; L381-L460 HydrophobicContact CD2-CD1 3.97Å; L381-L460 HydrophobicContact CG-CD1 4.21Å; L381-L460 HydrophobicContact CG-CG 4.33Å
382	A	88	Confident	80.4	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.1	164.5	0	0	0	0	0	109.8	L451 G455 M458 L459 L460	A382-L451 HydrophobicContact CB-CD2 4.42Å; A382-L451 HydrophobicContact CB-CG 4.42Å; A382-G455 WeakPolarHBondContact CB-O 3.36Å; A382-M458 PolarHBondContact N-O 2.8Å; A382-L459 HydrophobicContact CB-CD2 3.96Å; A382-L459 CarbonylContact O-C 3.6Å; A382-L459 WeakPolarHBondContact O-CA 3.4Å; A382-L460 PolarHBondContact O-N 2.72Å
383	S	81.8	Confident	80.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.1	-176.2	68.3	0	0	0	0	112.1	D385 Q386 F387 L451	S383-D385 VanDerWaalsContact C-N 3.34Å; S383-Q386 WeakPolarHBondContact OG-CG 3.26Å; S383-F387 VanDerWaalsContact O-CD2 3.29Å; S383-F387 WeakPolarHBondContact O-CD2 3.48Å; S383-F387 WeakPolarHBondContact O-CE2 3.46Å; S383-L451 VanDerWaalsContact C-CD1 3.48Å
384	V	67.4	Low	79.8	Confident	13 Å²	13	62.6 Å²	62.6	8%	0.079	33%	0.328	C	S	.	.	S	Bend	trans	-65.3	-38.2	179.8	170.6	0	0	0	0	111.5	Q386 F387 R388 H447 L451	V384-Q386 PolarHBondContact O-N 3.49Å; V384-F387 WeakPolarHBondContact O-CA 3.26Å; V384-F387 WeakPolarHBondContact O-CB 3.26Å; V384-F387 PolarHBondContact O-N 3.37Å; V384-R388 HydrophobicContact CG1-CG 4.33Å; V384-R388 PolarHBondContact O-N 3.36Å; V384-H447 HydrophobicContact CG1-CB 3.75Å; V384-L451 HydrophobicContact CB-CD1 4.34Å; V384-L451 HydrophobicContact CG2-CD1 3.49Å; V384-L451 VanDerWaalsContact CG2-CD1 3.49Å
385	D	62.6	Low	79.7	Confident	21 Å²	21	63.5 Å²	63.5	11%	0.112	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-25.2	-175.5	-71.2	-30.5	0	0	0	113.1	S383 F387 R388	S383-D385 VanDerWaalsContact C-N 3.34Å; D385-F387 PolarHBondContact O-N 2.86Å; D385-R388 IonicContact OD1-NH1 3.96Å
386	Q	53.6	Low	79.6	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-23.4	170.4	-72.1	175.6	-10.3	0	0	112.6	S383 V384 S390	S383-Q386 WeakPolarHBondContact OG-CG 3.26Å; V384-Q386 PolarHBondContact O-N 3.49Å; Q386-S390 PolarHBondContact O-OG 3.04Å; Q386-S390 VanDerWaalsContact O-OG 3.13Å
387	F	54.2	Low	79.6	Confident	26 Å²	26	61.5 Å²	61.5	11%	0.114	32%	0.315	C	S	.	.	H	α-helix	trans	-101	-27.4	-177	-60.6	-72.8	0	0	0	114.4	S383 V384 D385 D389 S390 M391 K450 L451 V454	S383-F387 VanDerWaalsContact O-CD2 3.29Å; S383-F387 WeakPolarHBondContact O-CD2 3.48Å; S383-F387 WeakPolarHBondContact O-CE2 3.46Å; V384-F387 WeakPolarHBondContact O-CA 3.26Å; V384-F387 WeakPolarHBondContact O-CB 3.26Å; V384-F387 PolarHBondContact O-N 3.37Å; D385-F387 PolarHBondContact O-N 2.86Å; F387-D389 VanDerWaalsContact C-N 3.27Å; F387-D389 PolarHBondContact O-N 2.77Å; F387-S390 VanDerWaalsContact CA-OG 3.32Å; F387-S390 WeakPolarHBondContact CA-OG 3.37Å; F387-S390 PolarHBondContact O-N 3.17Å; F387-S390 PolarHBondContact O-OG 3.42Å; F387-M391 WeakPolarHBondContact O-CG 3.41Å; F387-M391 PolarHBondContact O-N 2.87Å; F387-K450 HydrophobicContact CD1-CB 4.39Å; F387-K450 HydrophobicContact CG-CB 4.47Å; F387-L451 HydrophobicContact CE2-CB 4.37Å; F387-V454 HydrophobicContact CE1-CG2 4.13Å; F387-V454 HydrophobicContact CZ-CB 4.26Å; F387-V454 HydrophobicContact CZ-CG2 3.65Å
388	R	56.3	Low	79.7	Confident	129 Å²	129	53 Å²	53	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-53.4	-44.6	-176.9	-91.5	-178.5	173.6	-174.3	0.6	112.7	V384 D385 S390 H447	V384-R388 HydrophobicContact CG1-CG 4.33Å; V384-R388 PolarHBondContact O-N 3.36Å; D385-R388 IonicContact OD1-NH1 3.96Å; R388-S390 VanDerWaalsContact C-N 3.34Å; R388-H447 WeakPolarHBondContact CG-CE1 3.37Å
389	D	54.2	Low	79.7	Confident	165 Å²	165	53.7 Å²	53.7	88%	0.882	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.1	-178.8	-67.7	-22.9	0	0	0	113.7	F387	F387-D389 VanDerWaalsContact C-N 3.27Å; F387-D389 PolarHBondContact O-N 2.77Å
390	S	62.6	Low	79.6	Confident	69 Å²	69	53.2 Å²	53.2	48%	0.483	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	0.9	-170.3	64.1	0	0	0	0	115.7	Q386 F387 R388	Q386-S390 PolarHBondContact O-OG 3.04Å; Q386-S390 VanDerWaalsContact O-OG 3.13Å; F387-S390 VanDerWaalsContact CA-OG 3.32Å; F387-S390 WeakPolarHBondContact CA-OG 3.37Å; F387-S390 PolarHBondContact O-N 3.17Å; F387-S390 PolarHBondContact O-OG 3.42Å; R388-S390 VanDerWaalsContact C-N 3.34Å
391	M	78.9	Confident	79.6	Confident	16 Å²	16	48.3 Å²	48.3	8%	0.079	25%	0.248	C	C	.	.			trans	-81.2	132.1	176	-62.4	-168	-54.3	0	0	112.3	F387 N393 E400 V435 R443 L446 H447 K450	F387-M391 WeakPolarHBondContact O-CG 3.41Å; F387-M391 PolarHBondContact O-N 2.87Å; M391-N393 PolarHBondContact O-N 2.79Å; M391-E400 WeakPolarHBondContact CA-OE1 3.34Å; M391-E400 HydrophobicContact CB-CG 4.36Å; M391-E400 HydrophobicContact CG-CG 4.28Å; M391-E400 HydrophobicContact SD-CG 4.38Å; M391-V435 HydrophobicContact CB-CG1 4Å; M391-V435 HydrophobicContact CE-CG1 3.93Å; M391-V435 HydrophobicContact SD-CG1 4.43Å; M391-R443 HydrophobicContact CE-CG 3.83Å; M391-L446 HydrophobicContact CE-CD2 3.95Å; M391-L446 HydrophobicContact CE-CG 4.44Å; M391-L446 HydrophobicContact SD-CD2 3.47Å; M391-L446 WeakPolarHBondContact SD-CD2 3.37Å; M391-L446 HydrophobicContact SD-CG 3.65Å; M391-H447 WeakPolarHBondContact CE-CD2 3.46Å; M391-H447 WeakPolarHBondContact CE-NE2 3.24Å; M391-H447 VanDerWaalsContact SD-CD2 3.53Å; M391-K450 HydrophobicContact CG-CD 4.23Å; M391-K450 HydrophobicContact SD-CD 4.04Å
392	D	85.5	Confident	79.6	Confident	66 Å²	66	47.2 Å²	47.2	35%	0.353	24%	0.243	S	C	.	.			trans	-80.2	106.3	178	-174.3	-15.6	0	0	0	110.4	S394 K395	D392-S394 VanDerWaalsContact CG-OG 3.26Å; D392-S394 PolarHBondContact O-N 2.77Å; D392-S394 VanDerWaalsContact OD1-CB 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.39Å; D392-S394 PolarHBondContact OD1-N 2.91Å; D392-S394 PolarHBondContact OD1-OG 3.02Å; D392-S394 PolarHBondContact OD2-OG 3.11Å; D392-K395 HydrophobicContact CB-CB 4.43Å; D392-K395 HydrophobicContact CB-CD 3.95Å; D392-K395 HydrophobicContact CB-CG 3.95Å; D392-K395 PolarHBondContact O-N 3.25Å; D392-K395 VanDerWaalsContact O-N 3.08Å; D392-K395 WeakPolarHBondContact OD2-CE 3.23Å
393	N	89.8	Confident	79.6	Confident	84 Å²	84	50.2 Å²	50.2	45%	0.449	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.6	-180	-74.7	-20.6	0	0	0	113.9	M391 G436 R443	M391-N393 PolarHBondContact O-N 2.79Å; N393-G436 PolarHBondContact O-N 2.86Å; N393-G436 VanDerWaalsContact O-N 3.07Å; N393-R443 PolarHBondContact OD1-NH2 3.35Å
394	S	91.9	Very high	80	Confident	75 Å²	75	51.9 Å²	51.9	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.5	179.9	74.4	0	0	0	0	113.5	D392	D392-S394 VanDerWaalsContact CG-OG 3.26Å; D392-S394 PolarHBondContact O-N 2.77Å; D392-S394 VanDerWaalsContact OD1-CB 3.31Å; D392-S394 WeakPolarHBondContact OD1-CB 3.39Å; D392-S394 PolarHBondContact OD1-N 2.91Å; D392-S394 PolarHBondContact OD1-OG 3.02Å; D392-S394 PolarHBondContact OD2-OG 3.11Å
395	K	93.3	Very high	81.1	Confident	77 Å²	77	56.4 Å²	56.4	34%	0.335	32%	0.315	S	S	.	.	S	Bend	trans	-75.9	155.4	180	-69.8	-176	-161.8	159.7	0	111.7	D392 E399 E400 R434 V435	D392-K395 HydrophobicContact CB-CB 4.43Å; D392-K395 HydrophobicContact CB-CD 3.95Å; D392-K395 HydrophobicContact CB-CG 3.95Å; D392-K395 PolarHBondContact O-N 3.25Å; D392-K395 VanDerWaalsContact O-N 3.08Å; D392-K395 WeakPolarHBondContact OD2-CE 3.23Å; K395-E399 HydrophobicContact CB-CB 4.1Å; K395-E399 HydrophobicContact CD-CB 4.35Å; K395-E399 HydrophobicContact CG-CB 4.43Å; K395-E400 HydrophobicContact CB-CB 4.36Å; K395-E400 WeakPolarHBondContact CD-OE2 3.36Å; K395-E400 IonicContact NZ-OE2 3.48Å; K395-E400 PolarHBondContact NZ-OE2 3.18Å; K395-R434 CarbonylContact O-C 3.57Å; K395-R434 VanDerWaalsContact O-CA 3.31Å; K395-R434 WeakPolarHBondContact O-CA 3.34Å; K395-V435 WeakPolarHBondContact O-CG2 3.11Å; K395-V435 PolarHBondContact O-N 3.08Å
396	T	94.6	Very high	82.5	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.16	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-72.2	156.9	167	63.1	0	0	0	0	111.1	W398 E399 E400 G432 K433	T396-W398 PolarHBondContact O-N 3.22Å; T396-E399 WeakPolarHBondContact CB-OE2 3.4Å; T396-E399 WeakPolarHBondContact CG2-OE2 3.25Å; T396-E399 PolarHBondContact N-OE2 3.32Å; T396-E399 PolarHBondContact O-N 2.86Å; T396-E399 VanDerWaalsContact O-N 3.17Å; T396-E399 WeakPolarHBondContact OG1-CB 3.43Å; T396-E399 WeakPolarHBondContact OG1-CG 3.48Å; T396-E399 PolarHBondContact OG1-N 3.18Å; T396-E399 PolarHBondContact OG1-OE2 3.36Å; T396-E400 WeakPolarHBondContact O-CB 3.17Å; T396-E400 PolarHBondContact O-N 2.99Å; T396-G432 WeakPolarHBondContact CG2-O 3.38Å; T396-K433 CarbonylContact C-O 3.49Å; T396-K433 WeakPolarHBondContact CA-O 3.45Å
397	V	93.2	Very high	84.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-48.5	-47.1	171.9	169.3	0	0	0	0	111.2	E400 V401 V421 F426 K433 L438 L446	V397-E400 PolarHBondContact O-N 3.15Å; V397-V401 WeakPolarHBondContact O-CG2 3.41Å; V397-V401 PolarHBondContact O-N 3.03Å; V397-V401 VanDerWaalsContact O-N 3.12Å; V397-V421 HydrophobicContact CG1-CG1 3.93Å; V397-F426 HydrophobicContact CB-CD1 4.37Å; V397-F426 HydrophobicContact CG1-CB 3.98Å; V397-F426 HydrophobicContact CG1-CD1 3.67Å; V397-F426 HydrophobicContact CG1-CD2 3.8Å; V397-F426 HydrophobicContact CG1-CE1 3.97Å; V397-F426 HydrophobicContact CG1-CE2 4.09Å; V397-F426 HydrophobicContact CG1-CG 3.56Å; V397-F426 HydrophobicContact CG1-CZ 4.14Å; V397-F426 HydrophobicContact CG2-CD1 3.97Å; V397-F426 HydrophobicContact CG2-CE1 3.82Å; V397-F426 HydrophobicContact CG2-CZ 4.42Å; V397-K433 HydrophobicContact CG2-CB 4.41Å; V397-K433 PolarHBondContact N-O 3.32Å; V397-L438 HydrophobicContact CG2-CD1 3.84Å; V397-L438 HydrophobicContact CG2-CD2 3.73Å; V397-L438 HydrophobicContact CG2-CG 4.3Å; V397-L446 HydrophobicContact CG1-CD1 4.27Å
398	W	94.9	Very high	85.9	Confident	32 Å²	32	60.3 Å²	60.3	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-46.7	-179.5	170.2	75.4	0	0	0	112.3	T396 E400 V401 S402 S417 Q431	T396-W398 PolarHBondContact O-N 3.22Å; W398-E400 VanDerWaalsContact C-N 3.3Å; W398-E400 PolarHBondContact O-N 3.04Å; W398-V401 PolarHBondContact O-N 3.26Å; W398-S402 WeakPolarHBondContact O-CB 3.22Å; W398-S402 PolarHBondContact O-N 3.1Å; W398-S402 PolarHBondContact O-OG 3.21Å; W398-S417 PolarHBondContact NE1-OG 3.38Å; W398-Q431 HydrophobicContact CB-CB 4.15Å; W398-Q431 WeakPolarHBondContact CB-O 2.99Å; W398-Q431 PolarHBondContact N-O 3.28Å
399	E	94.7	Very high	87.2	Confident	75 Å²	75	60.4 Å²	60.4	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-40.5	177.5	-75.7	161.3	158.8	0	0	111.7	K395 T396 G403	K395-E399 HydrophobicContact CB-CB 4.1Å; K395-E399 HydrophobicContact CD-CB 4.35Å; K395-E399 HydrophobicContact CG-CB 4.43Å; T396-E399 WeakPolarHBondContact CB-OE2 3.4Å; T396-E399 WeakPolarHBondContact CG2-OE2 3.25Å; T396-E399 PolarHBondContact N-OE2 3.32Å; T396-E399 PolarHBondContact O-N 2.86Å; T396-E399 VanDerWaalsContact O-N 3.17Å; T396-E399 WeakPolarHBondContact OG1-CB 3.43Å; T396-E399 WeakPolarHBondContact OG1-CG 3.48Å; T396-E399 PolarHBondContact OG1-N 3.18Å; T396-E399 PolarHBondContact OG1-OE2 3.36Å; E399-G403 VanDerWaalsContact O-CA 3.25Å; E399-G403 WeakPolarHBondContact O-CA 3.37Å; E399-G403 PolarHBondContact O-N 2.89Å
400	E	91.9	Very high	88.4	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-36.6	-177.1	-177.3	56.7	-157.5	0	0	112.7	M391 K395 T396 V397 W398 V435 L446 K450	M391-E400 WeakPolarHBondContact CA-OE1 3.34Å; M391-E400 HydrophobicContact CB-CG 4.36Å; M391-E400 HydrophobicContact CG-CG 4.28Å; M391-E400 HydrophobicContact SD-CG 4.38Å; K395-E400 HydrophobicContact CB-CB 4.36Å; K395-E400 WeakPolarHBondContact CD-OE2 3.36Å; K395-E400 IonicContact NZ-OE2 3.48Å; K395-E400 PolarHBondContact NZ-OE2 3.18Å; T396-E400 WeakPolarHBondContact O-CB 3.17Å; T396-E400 PolarHBondContact O-N 2.99Å; V397-E400 PolarHBondContact O-N 3.15Å; W398-E400 VanDerWaalsContact C-N 3.3Å; W398-E400 PolarHBondContact O-N 3.04Å; E400-V435 HydrophobicContact CB-CG2 3.83Å; E400-V435 HydrophobicContact CG-CG2 4.01Å; E400-L446 HydrophobicContact CG-CD2 4.45Å; E400-K450 HydrophobicContact CG-CD 4.23Å; E400-K450 IonicContact OE1-NZ 3.06Å; E400-K450 PolarHBondContact OE1-NZ 3.15Å
401	V	90.9	Very high	89	Confident	3 Å²	3	51 Å²	51	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-43.9	175.3	175.3	0	0	0	0	111.3	V397 W398 M408 Y420 V421 L446 A449 K450 Q453	V397-V401 WeakPolarHBondContact O-CG2 3.41Å; V397-V401 PolarHBondContact O-N 3.03Å; V397-V401 VanDerWaalsContact O-N 3.12Å; W398-V401 PolarHBondContact O-N 3.26Å; V401-M408 HydrophobicContact CG1-CE 3.77Å; V401-M408 HydrophobicContact CG1-SD 4.21Å; V401-M408 WeakPolarHBondContact O-CE 3.34Å; V401-Y420 HydrophobicContact CG1-CD1 3.76Å; V401-Y420 HydrophobicContact CG1-CE1 3.85Å; V401-V421 HydrophobicContact CB-CG2 3.81Å; V401-V421 HydrophobicContact CG1-CG2 3.73Å; V401-V421 HydrophobicContact CG2-CG2 4.27Å; V401-L446 HydrophobicContact CG2-CD1 3.25Å; V401-A449 HydrophobicContact CG2-CB 4.28Å; V401-K450 HydrophobicContact CG2-CG 4.41Å; V401-Q453 PolarHBondContact O-NE2 2.91Å; V401-Q453 PolarHBondContact O-OE1 2.73Å
402	S	91.5	Very high	88.6	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.035	32%	0.324	C	S	.	.	H	α-helix	trans	-87.8	-17.1	-171.2	68.9	0	0	0	0	115.3	W398 G404 L405 M408	W398-S402 WeakPolarHBondContact O-CB 3.22Å; W398-S402 PolarHBondContact O-N 3.1Å; W398-S402 PolarHBondContact O-OG 3.21Å; S402-G404 PolarHBondContact O-N 3.17Å; S402-G404 PolarHBondContact OG-N 3.01Å; S402-L405 WeakPolarHBondContact CB-O 3.47Å; S402-L405 PolarHBondContact O-N 2.9Å; S402-M408 VanDerWaalsContact CA-SD 3.5Å
403	G	88.6	Confident	88.1	Confident	65 Å²	65	55.3 Å²	55.3	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	18.3	-165	0	0	0	0	0	113.2	E399	E399-G403 VanDerWaalsContact O-CA 3.25Å; E399-G403 WeakPolarHBondContact O-CA 3.37Å; E399-G403 PolarHBondContact O-N 2.89Å
404	G	88.7	Confident	87.8	Confident	37 Å²	37	57.8 Å²	57.8	38%	0.381	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	9	-175.7	0	0	0	0	0	114.7	S402	S402-G404 PolarHBondContact O-N 3.17Å; S402-G404 PolarHBondContact OG-N 3.01Å
405	L	91.5	Very high	87.5	Confident	107 Å²	107	56.4 Å²	56.4	56%	0.56	32%	0.315	S	S	*	.			trans	-87.3	134	179.9	-59.8	174.5	0	0	0	111.4	S402 I407 S417	S402-L405 WeakPolarHBondContact CB-O 3.47Å; S402-L405 PolarHBondContact O-N 2.9Å; L405-I407 VanDerWaalsContact C-N 3.29Å; L405-I407 WeakPolarHBondContact CB-O 3.45Å; L405-I407 PolarHBondContact O-N 3.4Å; L405-S417 WeakPolarHBondContact O-CB 3.36Å; L405-S417 PolarHBondContact O-OG 2.97Å
406	D	91.3	Very high	87.4	Confident	116 Å²	116	56.6 Å²	56.6	62%	0.62	32%	0.324	S	S	*	.	S	Bend	trans	-69.5	-29.6	174.1	-73.3	-41.1	0	0	0	112.6	P416 S417	D406-P416 WeakPolarHBondContact O-CA 3.35Å; D406-S417 PolarHBondContact O-N 2.82Å; D406-S417 PolarHBondContact O-OG 2.95Å; D406-S417 VanDerWaalsContact O-OG 3.08Å
407	I	92.1	Very high	87.3	Confident	100 Å²	100	55.4 Å²	55.4	51%	0.513	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.2	175.7	-59.7	177.2	0	0	0	107.8	L405 E414	L405-I407 VanDerWaalsContact C-N 3.29Å; L405-I407 WeakPolarHBondContact CB-O 3.45Å; L405-I407 PolarHBondContact O-N 3.4Å; I407-E414 HydrophobicContact CG2-CB 3.76Å; I407-E414 HydrophobicContact CG2-CG 4.2Å
408	M	86.8	Confident	87.2	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.1	175.8	-75	169.7	75.7	0	0	110.1	V401 S402 E414 M415 S417 Y420 Q453	V401-M408 HydrophobicContact CG1-CE 3.77Å; V401-M408 HydrophobicContact CG1-SD 4.21Å; V401-M408 WeakPolarHBondContact O-CE 3.34Å; S402-M408 VanDerWaalsContact CA-SD 3.5Å; M408-E414 CarbonylContact O-C 3.58Å; M408-E414 WeakPolarHBondContact O-CA 3.33Å; M408-M415 PolarHBondContact N-O 3.15Å; M408-M415 PolarHBondContact O-N 3.42Å; M408-S417 WeakPolarHBondContact SD-CB 3.4Å; M408-Y420 HydrophobicContact CE-CD1 4.06Å; M408-Y420 HydrophobicContact CE-CE1 4.38Å; M408-Y420 HydrophobicContact SD-CD1 4.3Å; M408-Q453 HydrophobicContact CE-CG 4.11Å
409	K	83.3	Confident	86.8	Confident	130 Å²	130	62.1 Å²	62.1	57%	0.565	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.2	169.1	-172.6	173.6	179.9	174.8	0	109.6	G411 T413	K409-G411 WeakPolarHBondContact CE-O 3.22Å; K409-G411 WeakPolarHBondContact CG-O 3.12Å; K409-T413 WeakPolarHBondContact CA-O 3.22Å
410	I	79.7	Confident	86.6	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	106.9	175.1	-67	150.9	0	0	0	107.1	F305 P307 N412 T413 M415 Y420 Q453	F305-I410 HydrophobicContact CD1-CG2 4.31Å; P307-I410 HydrophobicContact CB-CG2 4.29Å; P307-I410 HydrophobicContact CG-CG2 3.95Å; I410-N412 PolarHBondContact O-N 3.29Å; I410-N412 VanDerWaalsContact O-N 3.17Å; I410-T413 PolarHBondContact N-O 2.85Å; I410-T413 PolarHBondContact O-N 3.06Å; I410-M415 HydrophobicContact CD1-CG 3.87Å; I410-M415 HydrophobicContact CD1-SD 3.39Å; I410-M415 WeakPolarHBondContact CD1-SD 3.41Å; I410-Y420 HydrophobicContact CD1-CD1 4.1Å; I410-Y420 HydrophobicContact CD1-CD2 3.17Å; I410-Y420 HydrophobicContact CD1-CE1 4.22Å; I410-Y420 HydrophobicContact CD1-CE2 3.3Å; I410-Y420 HydrophobicContact CD1-CG 3.58Å; I410-Y420 HydrophobicContact CG1-CD2 4.49Å; I410-Y420 HydrophobicContact CG1-CE2 4.29Å; I410-Q453 HydrophobicContact CG1-CG 4.31Å
411	G	75.8	Confident	86.5	Confident	33 Å²	33	58 Å²	58	34%	0.34	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-115.7	-167.5	0	0	0	0	0	110.9	P307 K409	P307-G411 VanDerWaalsContact CB-CA 3.48Å; K409-G411 WeakPolarHBondContact CE-O 3.22Å; K409-G411 WeakPolarHBondContact CG-O 3.12Å
412	N	71.6	Confident	86.4	Confident	129 Å²	129	58.7 Å²	58.7	69%	0.69	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.8	-179.7	-67.1	-38.3	0	0	0	114	I410	I410-N412 PolarHBondContact O-N 3.29Å; I410-N412 VanDerWaalsContact O-N 3.17Å
413	T	73	Confident	86.1	Confident	43 Å²	43	63.3 Å²	63.3	26%	0.264	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.3	-175.2	-35.4	0	0	0	0	110.4	E300 K409 I410	E300-T413 WeakPolarHBondContact CG-OG1 2.95Å; E300-T413 PolarHBondContact OE2-OG1 3.02Å; K409-T413 WeakPolarHBondContact CA-O 3.22Å; I410-T413 PolarHBondContact N-O 2.85Å; I410-T413 PolarHBondContact O-N 3.06Å
414	E	84.4	Confident	86	Confident	137 Å²	137	60.2 Å²	60.2	64%	0.64	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	137	168.6	-71.4	-177.4	179.5	0	0	109.9	I407 M408	I407-E414 HydrophobicContact CG2-CB 3.76Å; I407-E414 HydrophobicContact CG2-CG 4.2Å; M408-E414 CarbonylContact O-C 3.58Å; M408-E414 WeakPolarHBondContact O-CA 3.33Å
415	M	86.1	Confident	85.7	Confident	46 Å²	46	58.9 Å²	58.9	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.8	174.7	68.6	-176.7	-58.6	0	0	111.8	M408 I410 S417 Y420	M408-M415 PolarHBondContact N-O 3.15Å; M408-M415 PolarHBondContact O-N 3.42Å; I410-M415 HydrophobicContact CD1-CG 3.87Å; I410-M415 HydrophobicContact CD1-SD 3.39Å; I410-M415 WeakPolarHBondContact CD1-SD 3.41Å; M415-S417 PolarHBondContact O-N 2.8Å; M415-Y420 HydrophobicContact CE-CD2 4.25Å; M415-Y420 HydrophobicContact SD-CD2 3.71Å; M415-Y420 HydrophobicContact SD-CG 4.2Å
416	P	90.5	Very high	85.5	Confident	81 Å²	81	53.9 Å²	53.9	53%	0.526	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	125.8	174	-23.7	34.1	0	0	0	110.7	D406 R418 A419 Y420	D406-P416 WeakPolarHBondContact O-CA 3.35Å; P416-R418 VanDerWaalsContact C-N 3.28Å; P416-R418 PolarHBondContact O-N 2.98Å; P416-A419 HydrophobicContact CB-CB 4.05Å; P416-A419 WeakPolarHBondContact O-CA 3.46Å; P416-A419 WeakPolarHBondContact O-CB 3.36Å; P416-A419 PolarHBondContact O-N 2.69Å; P416-Y420 PolarHBondContact O-N 2.87Å; P416-Y420 VanDerWaalsContact O-N 3.12Å
417	S	92.1	Very high	85.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-39.7	-174.7	56.6	0	0	0	0	112.6	W398 L405 D406 M408 M415 A419 Y420 V421	W398-S417 PolarHBondContact NE1-OG 3.38Å; L405-S417 WeakPolarHBondContact O-CB 3.36Å; L405-S417 PolarHBondContact O-OG 2.97Å; D406-S417 PolarHBondContact O-N 2.82Å; D406-S417 PolarHBondContact O-OG 2.95Å; D406-S417 VanDerWaalsContact O-OG 3.08Å; M408-S417 WeakPolarHBondContact SD-CB 3.4Å; M415-S417 PolarHBondContact O-N 2.8Å; S417-A419 VanDerWaalsContact C-N 3.28Å; S417-A419 PolarHBondContact O-N 2.93Å; S417-Y420 WeakPolarHBondContact O-CB 3.38Å; S417-Y420 PolarHBondContact O-N 3.2Å; S417-V421 VanDerWaalsContact O-CG2 3.3Å; S417-V421 WeakPolarHBondContact O-CG2 3.42Å; S417-V421 PolarHBondContact O-N 3.4Å
418	R	91.2	Very high	84.6	Confident	124 Å²	124	51 Å²	51	47%	0.468	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-32.8	175.1	-64.1	-170.4	175.1	-79.7	-2	113.2	P416 G422 Q431	P416-R418 VanDerWaalsContact C-N 3.28Å; P416-R418 PolarHBondContact O-N 2.98Å; R418-G422 PolarHBondContact O-N 3.3Å; R418-Q431 PolarHBondContact O-NE2 2.94Å
419	A	87.3	Confident	84.4	Confident	48 Å²	48	56.5 Å²	56.5	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-70.8	-40.8	175.9	0	0	0	0	0	110.6	P416 S417 G422 R423	P416-A419 HydrophobicContact CB-CB 4.05Å; P416-A419 WeakPolarHBondContact O-CA 3.46Å; P416-A419 WeakPolarHBondContact O-CB 3.36Å; P416-A419 PolarHBondContact O-N 2.69Å; S417-A419 VanDerWaalsContact C-N 3.28Å; S417-A419 PolarHBondContact O-N 2.93Å; A419-G422 PolarHBondContact O-N 3.22Å; A419-R423 PolarHBondContact O-N 3.42Å
420	Y	89.2	Confident	84.6	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.02	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-51.6	174.6	-178	-108.5	0	0	0	112.1	V401 M408 I410 M415 P416 S417 G422 R423 F424 A449 Q453	V401-Y420 HydrophobicContact CG1-CD1 3.76Å; V401-Y420 HydrophobicContact CG1-CE1 3.85Å; M408-Y420 HydrophobicContact CE-CD1 4.06Å; M408-Y420 HydrophobicContact CE-CE1 4.38Å; M408-Y420 HydrophobicContact SD-CD1 4.3Å; I410-Y420 HydrophobicContact CD1-CD1 4.1Å; I410-Y420 HydrophobicContact CD1-CD2 3.17Å; I410-Y420 HydrophobicContact CD1-CE1 4.22Å; I410-Y420 HydrophobicContact CD1-CE2 3.3Å; I410-Y420 HydrophobicContact CD1-CG 3.58Å; I410-Y420 HydrophobicContact CG1-CD2 4.49Å; I410-Y420 HydrophobicContact CG1-CE2 4.29Å; M415-Y420 HydrophobicContact CE-CD2 4.25Å; M415-Y420 HydrophobicContact SD-CD2 3.71Å; M415-Y420 HydrophobicContact SD-CG 4.2Å; P416-Y420 PolarHBondContact O-N 2.87Å; P416-Y420 VanDerWaalsContact O-N 3.12Å; S417-Y420 WeakPolarHBondContact O-CB 3.38Å; S417-Y420 PolarHBondContact O-N 3.2Å; Y420-G422 PolarHBondContact O-N 2.8Å; Y420-R423 VanDerWaalsContact O-CB 3.25Å; Y420-R423 WeakPolarHBondContact O-CB 3.36Å; Y420-R423 PolarHBondContact O-N 3.41Å; Y420-F424 HydrophobicContact CD1-CE2 4.37Å; Y420-F424 HydrophobicContact CD2-CE2 4.35Å; Y420-F424 AromaticContact CE1-CE2 3.82Å; Y420-F424 HydrophobicContact CE1-CE2 3.82Å; Y420-F424 AromaticContact CE2-CE2 3.83Å; Y420-F424 HydrophobicContact CE2-CE2 3.83Å; Y420-F424 HydrophobicContact CE2-CZ 4.41Å; Y420-F424 AromaticContact CZ-CE2 3.54Å; Y420-A449 HydrophobicContact CE1-CB 4.46Å; Y420-A449 PolarHBondContact OH-O 3.49Å; Y420-Q453 HydrophobicContact CE1-CB 4.24Å; Y420-Q453 PolarHBondContact OH-N 3.14Å
421	V	90.6	Very high	85.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-37.6	176.6	172	0	0	0	0	111.1	V397 V401 S417 R423 F424 F426 Q431	V397-V421 HydrophobicContact CG1-CG1 3.93Å; V401-V421 HydrophobicContact CB-CG2 3.81Å; V401-V421 HydrophobicContact CG1-CG2 3.73Å; V401-V421 HydrophobicContact CG2-CG2 4.27Å; S417-V421 VanDerWaalsContact O-CG2 3.3Å; S417-V421 WeakPolarHBondContact O-CG2 3.42Å; S417-V421 PolarHBondContact O-N 3.4Å; V421-R423 VanDerWaalsContact C-N 3.25Å; V421-R423 PolarHBondContact O-N 2.83Å; V421-F424 PolarHBondContact O-N 3.15Å; V421-F426 HydrophobicContact CG1-CB 3.54Å; V421-F426 HydrophobicContact CG1-CD2 4.4Å; V421-F426 HydrophobicContact CG1-CG 4.32Å; V421-Q431 HydrophobicContact CG1-CG 3.8Å
422	G	87.9	Confident	85.8	Confident	16 Å²	16	53.5 Å²	53.5	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-24.4	174.9	0	0	0	0	0	115.1	R418 A419 Y420 F424 N425 F426	R418-G422 PolarHBondContact O-N 3.3Å; A419-G422 PolarHBondContact O-N 3.22Å; Y420-G422 PolarHBondContact O-N 2.8Å; G422-F424 VanDerWaalsContact C-N 3.25Å; G422-F424 PolarHBondContact O-N 2.92Å; G422-N425 PolarHBondContact O-N 3.41Å; G422-F426 WeakPolarHBondContact CA-O 3.38Å
423	R	85.2	Confident	86.8	Confident	102 Å²	102	50.4 Å²	50.4	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-25.1	175.9	-59.2	-61.3	-173.1	164.7	3.5	112.7	E303 A419 Y420 V421 N425 T472	E303-R423 WeakPolarHBondContact O-CD 3.31Å; E303-R423 WeakPolarHBondContact O-CG 3.05Å; E303-R423 PolarHBondContact O-NE 3.37Å; E303-R423 VanDerWaalsContact O-NE 3.09Å; A419-R423 PolarHBondContact O-N 3.42Å; Y420-R423 VanDerWaalsContact O-CB 3.25Å; Y420-R423 WeakPolarHBondContact O-CB 3.36Å; Y420-R423 PolarHBondContact O-N 3.41Å; V421-R423 VanDerWaalsContact C-N 3.25Å; V421-R423 PolarHBondContact O-N 2.83Å; R423-N425 VanDerWaalsContact C-N 3.28Å; R423-T472 WeakPolarHBondContact O-CG2 3.46Å
424	F	88	Confident	87.8	Confident	1 Å²	1	55 Å²	55	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	23.9	176.4	-59.5	-87.1	0	0	0	112	L304 Y420 V421 G422 F426 R445 L448 A449 L452	L304-F424 HydrophobicContact CD1-CE1 4.11Å; L304-F424 HydrophobicContact CD1-CE2 3.98Å; L304-F424 HydrophobicContact CD1-CZ 3.44Å; L304-F424 VanDerWaalsContact CD1-CZ 3.44Å; L304-F424 HydrophobicContact CD2-CE1 4.44Å; Y420-F424 HydrophobicContact CD1-CE2 4.37Å; Y420-F424 HydrophobicContact CD2-CE2 4.35Å; Y420-F424 AromaticContact CE1-CE2 3.82Å; Y420-F424 HydrophobicContact CE1-CE2 3.82Å; Y420-F424 AromaticContact CE2-CE2 3.83Å; Y420-F424 HydrophobicContact CE2-CE2 3.83Å; Y420-F424 HydrophobicContact CE2-CZ 4.41Å; Y420-F424 AromaticContact CZ-CE2 3.54Å; V421-F424 PolarHBondContact O-N 3.15Å; G422-F424 VanDerWaalsContact C-N 3.25Å; G422-F424 PolarHBondContact O-N 2.92Å; F424-F426 VanDerWaalsContact C-N 3.26Å; F424-F426 HydrophobicContact CB-CD2 4.08Å; F424-F426 HydrophobicContact CB-CE2 4.32Å; F424-F426 WeakPolarHBondContact O-CD2 3.37Å; F424-F426 PolarHBondContact O-N 3.36Å; F424-R445 WeakPolarHBondContact O-CD 3.41Å; F424-R445 PolarHBondContact O-NE 3.41Å; F424-L448 HydrophobicContact CD1-CB 4.46Å; F424-L448 HydrophobicContact CD1-CD2 4.2Å; F424-L448 HydrophobicContact CD1-CG 4.29Å; F424-L448 HydrophobicContact CE1-CB 4.39Å; F424-L448 HydrophobicContact CE1-CD2 4.08Å; F424-L448 HydrophobicContact CE1-CG 3.89Å; F424-A449 HydrophobicContact CB-CB 4.29Å; F424-A449 HydrophobicContact CD1-CB 3.97Å; F424-A449 HydrophobicContact CD2-CB 3.44Å; F424-A449 VanDerWaalsContact CD2-CB 3.44Å; F424-A449 HydrophobicContact CE1-CB 4.12Å; F424-A449 HydrophobicContact CE2-CB 3.61Å; F424-A449 HydrophobicContact CG-CB 3.61Å; F424-A449 VanDerWaalsContact CZ-CA 3.46Å; F424-A449 HydrophobicContact CZ-CB 3.94Å; F424-L452 HydrophobicContact CE1-CD1 4Å; F424-L452 HydrophobicContact CZ-CB 4.41Å; F424-L452 HydrophobicContact CZ-CD1 4.06Å
425	N	82.2	Confident	88.1	Confident	9 Å²	9	48.5 Å²	48.5	5%	0.048	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.7	177.7	-78.2	-39.6	0	0	0	116.9	N34 G422 R423 K427 D469 T472	N34-N425 HydrophobicContact CB-CB 4.03Å; N34-N425 PolarHBondContact ND2-ND2 2.72Å; G422-N425 PolarHBondContact O-N 3.41Å; R423-N425 VanDerWaalsContact C-N 3.28Å; N425-K427 PolarHBondContact O-N 3.19Å; N425-D469 VanDerWaalsContact CG-OD2 3.31Å; N425-D469 PolarHBondContact ND2-OD1 3.38Å; N425-D469 PolarHBondContact ND2-OD2 2.84Å; N425-D469 PolarHBondContact OD1-OD2 3.34Å; N425-T472 PolarHBondContact ND2-OG1 2.93Å
426	F	87.6	Confident	88.2	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.278	C	S	.	.			trans	-88.8	95.2	164.8	-64	-78.1	0	0	0	109.3	V397 V421 G422 F424 D430 Q431 L438 E442 R445 L446	V397-F426 HydrophobicContact CB-CD1 4.37Å; V397-F426 HydrophobicContact CG1-CB 3.98Å; V397-F426 HydrophobicContact CG1-CD1 3.67Å; V397-F426 HydrophobicContact CG1-CD2 3.8Å; V397-F426 HydrophobicContact CG1-CE1 3.97Å; V397-F426 HydrophobicContact CG1-CE2 4.09Å; V397-F426 HydrophobicContact CG1-CG 3.56Å; V397-F426 HydrophobicContact CG1-CZ 4.14Å; V397-F426 HydrophobicContact CG2-CD1 3.97Å; V397-F426 HydrophobicContact CG2-CE1 3.82Å; V397-F426 HydrophobicContact CG2-CZ 4.42Å; V421-F426 HydrophobicContact CG1-CB 3.54Å; V421-F426 HydrophobicContact CG1-CD2 4.4Å; V421-F426 HydrophobicContact CG1-CG 4.32Å; G422-F426 WeakPolarHBondContact CA-O 3.38Å; F424-F426 VanDerWaalsContact C-N 3.26Å; F424-F426 HydrophobicContact CB-CD2 4.08Å; F424-F426 HydrophobicContact CB-CE2 4.32Å; F424-F426 WeakPolarHBondContact O-CD2 3.37Å; F424-F426 PolarHBondContact O-N 3.36Å; F426-D430 HydrophobicContact CD1-CB 4.37Å; F426-Q431 HydrophobicContact CB-CG 4.21Å; F426-Q431 WeakPolarHBondContact O-CG 3.43Å; F426-Q431 PolarHBondContact O-NE2 2.76Å; F426-L438 HydrophobicContact CE1-CD1 4.47Å; F426-L438 HydrophobicContact CE1-CD2 4.25Å; F426-E442 HydrophobicContact CE1-CB 4.23Å; F426-E442 HydrophobicContact CE1-CG 4.45Å; F426-E442 HydrophobicContact CZ-CB 4.49Å; F426-E442 VanDerWaalsContact CZ-O 3.25Å; F426-E442 WeakPolarHBondContact CZ-O 3.47Å; F426-R445 HydrophobicContact CE2-CB 3.87Å; F426-R445 HydrophobicContact CZ-CB 4.12Å; F426-L446 HydrophobicContact CE2-CB 4.15Å; F426-L446 HydrophobicContact CZ-CB 3.93Å
427	K	81.9	Confident	88.1	Confident	94 Å²	94	50.7 Å²	50.7	41%	0.409	28%	0.282	S	S	.	.			trans	-112.1	142.3	-175.9	-65.5	178.9	-176.3	168	0	111.5	N425 V429 D430	N425-K427 PolarHBondContact O-N 3.19Å; K427-V429 PolarHBondContact O-N 3.32Å; K427-V429 VanDerWaalsContact O-N 3.11Å; K427-D430 WeakPolarHBondContact O-CB 3.29Å; K427-D430 PolarHBondContact O-N 2.98Å
428	G	81.8	Confident	87.8	Confident	61 Å²	61	51.4 Å²	51.4	63%	0.629	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	53.9	-117.4	174.5	0	0	0	0	0	112.4	D430 Q431	G428-D430 PolarHBondContact O-N 3.27Å; G428-Q431 WeakPolarHBondContact O-CB 3.42Å; G428-Q431 PolarHBondContact O-N 3.48Å
429	V	83.3	Confident	87.2	Confident	120 Å²	120	47.6 Å²	47.6	73%	0.727	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-62.5	-27.9	-178.4	-62.3	0	0	0	0	113.5	K427 Q431 G432 K433	K427-V429 PolarHBondContact O-N 3.32Å; K427-V429 VanDerWaalsContact O-N 3.11Å; V429-Q431 PolarHBondContact O-N 3.07Å; V429-G432 PolarHBondContact O-N 2.75Å; V429-K433 PolarHBondContact O-N 2.86Å
430	D	85.8	Confident	86.6	Confident	44 Å²	44	48.3 Å²	48.3	24%	0.235	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-65.4	-24.8	179.9	-64.7	-42.2	0	0	0	112.2	F426 K427 G428 G432 K433	F426-D430 HydrophobicContact CD1-CB 4.37Å; K427-D430 WeakPolarHBondContact O-CB 3.29Å; K427-D430 PolarHBondContact O-N 2.98Å; G428-D430 PolarHBondContact O-N 3.27Å; D430-G432 PolarHBondContact O-N 2.66Å; D430-K433 HydrophobicContact CB-CD 4.39Å; D430-K433 WeakPolarHBondContact O-CB 3.09Å; D430-K433 PolarHBondContact O-N 3.44Å; D430-K433 WeakPolarHBondContact OD1-CE 3.26Å; D430-K433 IonicContact OD1-NZ 3.72Å; D430-K433 PolarHBondContact OD1-NZ 2.9Å
431	Q	91.4	Very high	86	Confident	13 Å²	13	48.5 Å²	48.5	6%	0.061	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-68.8	-23	174.5	-61.9	-166.4	-1.6	0	0	112.7	W398 R418 V421 F426 G428 V429	W398-Q431 HydrophobicContact CB-CB 4.15Å; W398-Q431 WeakPolarHBondContact CB-O 2.99Å; W398-Q431 PolarHBondContact N-O 3.28Å; R418-Q431 PolarHBondContact O-NE2 2.94Å; V421-Q431 HydrophobicContact CG1-CG 3.8Å; F426-Q431 HydrophobicContact CB-CG 4.21Å; F426-Q431 WeakPolarHBondContact O-CG 3.43Å; F426-Q431 PolarHBondContact O-NE2 2.76Å; G428-Q431 WeakPolarHBondContact O-CB 3.42Å; G428-Q431 PolarHBondContact O-N 3.48Å; V429-Q431 PolarHBondContact O-N 3.07Å
432	G	91	Very high	85.7	Confident	47 Å²	47	49.8 Å²	49.8	49%	0.485	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-93.4	-5.4	178.1	0	0	0	0	0	114	T396 V429 D430	T396-G432 WeakPolarHBondContact CG2-O 3.38Å; V429-G432 PolarHBondContact O-N 2.75Å; D430-G432 PolarHBondContact O-N 2.66Å
433	K	91.9	Very high	85.6	Confident	64 Å²	64	52 Å²	52	28%	0.278	30%	0.303	S	S	.	.	S	Bend	trans	-60.3	142	172.3	-76.9	174.7	169.5	164.9	0	109.8	T396 V397 V429 D430 L438 E442	T396-K433 CarbonylContact C-O 3.49Å; T396-K433 WeakPolarHBondContact CA-O 3.45Å; V397-K433 HydrophobicContact CG2-CB 4.41Å; V397-K433 PolarHBondContact N-O 3.32Å; V429-K433 PolarHBondContact O-N 2.86Å; D430-K433 HydrophobicContact CB-CD 4.39Å; D430-K433 WeakPolarHBondContact O-CB 3.09Å; D430-K433 PolarHBondContact O-N 3.44Å; D430-K433 WeakPolarHBondContact OD1-CE 3.26Å; D430-K433 IonicContact OD1-NZ 3.72Å; D430-K433 PolarHBondContact OD1-NZ 2.9Å; K433-L438 HydrophobicContact CB-CD2 3.89Å; K433-L438 HydrophobicContact CD-CD2 4.13Å; K433-E442 IonicContact NZ-OE1 2.79Å; K433-E442 PolarHBondContact NZ-OE1 3.05Å; K433-E442 IonicContact NZ-OE2 3.74Å
434	R	93.5	Very high	85.4	Confident	140 Å²	140	48.9 Å²	48.9	53%	0.528	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-76.8	145.7	173.9	-70	179.8	168.7	170.8	-2	110.6	K395 G436 E437	K395-R434 CarbonylContact O-C 3.57Å; K395-R434 VanDerWaalsContact O-CA 3.31Å; K395-R434 WeakPolarHBondContact O-CA 3.34Å; R434-G436 PolarHBondContact O-N 3.37Å; R434-E437 HydrophobicContact CB-CG 4.1Å; R434-E437 WeakPolarHBondContact O-CB 3.19Å; R434-E437 PolarHBondContact O-N 3.43Å
435	V	90.9	Very high	85.4	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.2	-33.5	-179.2	174.7	0	0	0	0	111.8	M391 K395 E400 E437 L438 R443 L446	M391-V435 HydrophobicContact CB-CG1 4Å; M391-V435 HydrophobicContact CE-CG1 3.93Å; M391-V435 HydrophobicContact SD-CG1 4.43Å; K395-V435 WeakPolarHBondContact O-CG2 3.11Å; K395-V435 PolarHBondContact O-N 3.08Å; E400-V435 HydrophobicContact CB-CG2 3.83Å; E400-V435 HydrophobicContact CG-CG2 4.01Å; V435-E437 PolarHBondContact O-N 3.12Å; V435-L438 PolarHBondContact O-N 3.39Å; V435-R443 PolarHBondContact O-NH2 3.41Å; V435-L446 HydrophobicContact CB-CD2 4.35Å; V435-L446 HydrophobicContact CG1-CD2 3.87Å; V435-L446 HydrophobicContact CG2-CD2 3.69Å
436	G	88.7	Confident	85.8	Confident	45 Å²	45	49.6 Å²	49.6	46%	0.464	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.5	175	0	0	0	0	0	115.4	N393 R434	N393-G436 PolarHBondContact O-N 2.86Å; N393-G436 VanDerWaalsContact O-N 3.07Å; R434-G436 PolarHBondContact O-N 3.37Å
437	E	88.2	Confident	85.7	Confident	128 Å²	128	49.9 Å²	49.9	60%	0.598	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-98.9	-6.3	-178.6	-63.9	168.1	-176.2	0	0	112.6	R434 V435	R434-E437 HydrophobicContact CB-CG 4.1Å; R434-E437 WeakPolarHBondContact O-CB 3.19Å; R434-E437 PolarHBondContact O-N 3.43Å; V435-E437 PolarHBondContact O-N 3.12Å
438	L	86	Confident	86	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.089	29%	0.288	C	S	.	.			trans	-69.5	139.6	-177.4	-60.6	-177.2	0	0	0	111.3	V397 F426 K433 V435 E442 R443 L446	V397-L438 HydrophobicContact CG2-CD1 3.84Å; V397-L438 HydrophobicContact CG2-CD2 3.73Å; V397-L438 HydrophobicContact CG2-CG 4.3Å; F426-L438 HydrophobicContact CE1-CD1 4.47Å; F426-L438 HydrophobicContact CE1-CD2 4.25Å; K433-L438 HydrophobicContact CB-CD2 3.89Å; K433-L438 HydrophobicContact CD-CD2 4.13Å; V435-L438 PolarHBondContact O-N 3.39Å; L438-E442 WeakPolarHBondContact CA-OE2 3.41Å; L438-E442 HydrophobicContact CB-CB 3.82Å; L438-E442 HydrophobicContact CD2-CB 4.08Å; L438-E442 HydrophobicContact CG-CB 4.34Å; L438-R443 HydrophobicContact CB-CB 4.33Å; L438-L446 HydrophobicContact CD1-CB 4.28Å; L438-L446 HydrophobicContact CD1-CD2 3.65Å
439	S	79.4	Confident	86.4	Confident	43 Å²	43	42.9 Å²	42.9	30%	0.301	26%	0.259	S	S	.	.			trans	-63.2	166.6	166.6	76.1	0	0	0	0	111.2	G441 E442 R443	S439-G441 VanDerWaalsContact C-N 3.28Å; S439-G441 PolarHBondContact O-N 3.18Å; S439-E442 PolarHBondContact N-OE2 3.29Å; S439-E442 PolarHBondContact O-N 2.97Å; S439-E442 PolarHBondContact OG-N 3.33Å; S439-R443 WeakPolarHBondContact O-CB 3.47Å; S439-R443 PolarHBondContact O-N 3.2Å
440	G	73.6	Confident	86.6	Confident	64 Å²	64	38.3 Å²	38.3	66%	0.66	23%	0.229	S	C	*	.	H	α-helix	trans	-55.3	-43.1	177	0	0	0	0	0	112.9	R443 G444	G440-R443 PolarHBondContact O-N 2.91Å; G440-G444 PolarHBondContact O-N 2.96Å
441	G	76.6	Confident	86.7	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-45.3	177.1	0	0	0	0	0	113.5	S439 R443 G444 R445 D467	S439-G441 VanDerWaalsContact C-N 3.28Å; S439-G441 PolarHBondContact O-N 3.18Å; G441-R443 VanDerWaalsContact C-N 3.31Å; G441-R443 PolarHBondContact O-N 3.37Å; G441-G444 WeakPolarHBondContact O-CA 3.35Å; G441-G444 PolarHBondContact O-N 3.24Å; G441-G444 VanDerWaalsContact O-N 3.14Å; G441-R445 WeakPolarHBondContact O-CG 3.33Å; G441-R445 PolarHBondContact O-N 2.68Å; G441-D467 VanDerWaalsContact CA-CG 3.5Å; G441-D467 WeakPolarHBondContact CA-OD2 3.29Å
442	E	84.8	Confident	86.5	Confident	27 Å²	27	35.6 Å²	35.6	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-46.2	173.2	-77.2	177.1	152.3	0	0	111	F426 K433 L438 S439 G444 R445 L446	F426-E442 HydrophobicContact CE1-CB 4.23Å; F426-E442 HydrophobicContact CE1-CG 4.45Å; F426-E442 HydrophobicContact CZ-CB 4.49Å; F426-E442 VanDerWaalsContact CZ-O 3.25Å; F426-E442 WeakPolarHBondContact CZ-O 3.47Å; K433-E442 IonicContact NZ-OE1 2.79Å; K433-E442 PolarHBondContact NZ-OE1 3.05Å; K433-E442 IonicContact NZ-OE2 3.74Å; L438-E442 WeakPolarHBondContact CA-OE2 3.41Å; L438-E442 HydrophobicContact CB-CB 3.82Å; L438-E442 HydrophobicContact CD2-CB 4.08Å; L438-E442 HydrophobicContact CG-CB 4.34Å; S439-E442 PolarHBondContact N-OE2 3.29Å; S439-E442 PolarHBondContact O-N 2.97Å; S439-E442 PolarHBondContact OG-N 3.33Å; E442-G444 VanDerWaalsContact C-N 3.29Å; E442-G444 PolarHBondContact O-N 2.87Å; E442-R445 VanDerWaalsContact CG-NH2 3.35Å; E442-R445 PolarHBondContact O-N 3.29Å; E442-R445 VanDerWaalsContact O-N 3.13Å; E442-L446 PolarHBondContact O-N 3.24Å
443	R	84.9	Confident	86.2	Confident	62 Å²	62	35.8 Å²	35.8	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-38.3	176.5	-175.2	171.7	-80.6	-115.2	-1.6	112.1	M391 N393 V435 L438 S439 G440 G441 L446 H447	M391-R443 HydrophobicContact CE-CG 3.83Å; N393-R443 PolarHBondContact OD1-NH2 3.35Å; V435-R443 PolarHBondContact O-NH2 3.41Å; L438-R443 HydrophobicContact CB-CB 4.33Å; S439-R443 WeakPolarHBondContact O-CB 3.47Å; S439-R443 PolarHBondContact O-N 3.2Å; G440-R443 PolarHBondContact O-N 2.91Å; G441-R443 VanDerWaalsContact C-N 3.31Å; G441-R443 PolarHBondContact O-N 3.37Å; R443-L446 PolarHBondContact O-N 2.92Å; R443-H447 PolarHBondContact O-N 2.9Å; R443-H447 PolarHBondContact O-ND1 2.75Å
444	G	82.4	Confident	85.6	Confident	37 Å²	37	36.1 Å²	36.1	38%	0.381	21%	0.211	S	C	.	.	H	α-helix	trans	-56.7	-48.2	171.4	0	0	0	0	0	112.5	G440 G441 E442 L446 H447 L448	G440-G444 PolarHBondContact O-N 2.96Å; G441-G444 WeakPolarHBondContact O-CA 3.35Å; G441-G444 PolarHBondContact O-N 3.24Å; G441-G444 VanDerWaalsContact O-N 3.14Å; E442-G444 VanDerWaalsContact C-N 3.29Å; E442-G444 PolarHBondContact O-N 2.87Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.48Å; G444-H447 WeakPolarHBondContact O-CB 3.38Å; G444-H447 PolarHBondContact O-N 2.72Å; G444-L448 PolarHBondContact O-N 3.31Å
445	R	87.8	Confident	84.8	Confident	25 Å²	25	29.5 Å²	29.5	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-38.5	176.2	-62	-163.1	-63.2	-105.5	-0.7	112.8	F424 F426 G441 E442 L448 A449 D467 L468	F424-R445 WeakPolarHBondContact O-CD 3.41Å; F424-R445 PolarHBondContact O-NE 3.41Å; F426-R445 HydrophobicContact CE2-CB 3.87Å; F426-R445 HydrophobicContact CZ-CB 4.12Å; G441-R445 WeakPolarHBondContact O-CG 3.33Å; G441-R445 PolarHBondContact O-N 2.68Å; E442-R445 VanDerWaalsContact CG-NH2 3.35Å; E442-R445 PolarHBondContact O-N 3.29Å; E442-R445 VanDerWaalsContact O-N 3.13Å; R445-L448 PolarHBondContact O-N 3.07Å; R445-A449 PolarHBondContact O-N 3.34Å; R445-D467 PolarHBondContact NH1-O 3.45Å; R445-L468 HydrophobicContact CG-CD2 3.64Å
446	L	89.7	Confident	84.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.6	175.3	60.2	0	0	0	111.4	M391 V397 E400 V401 F426 V435 L438 E442 R443 G444 L448 A449 K450	M391-L446 HydrophobicContact CE-CD2 3.95Å; M391-L446 HydrophobicContact CE-CG 4.44Å; M391-L446 HydrophobicContact SD-CD2 3.47Å; M391-L446 WeakPolarHBondContact SD-CD2 3.37Å; M391-L446 HydrophobicContact SD-CG 3.65Å; V397-L446 HydrophobicContact CG1-CD1 4.27Å; E400-L446 HydrophobicContact CG-CD2 4.45Å; V401-L446 HydrophobicContact CG2-CD1 3.25Å; F426-L446 HydrophobicContact CE2-CB 4.15Å; F426-L446 HydrophobicContact CZ-CB 3.93Å; V435-L446 HydrophobicContact CB-CD2 4.35Å; V435-L446 HydrophobicContact CG1-CD2 3.87Å; V435-L446 HydrophobicContact CG2-CD2 3.69Å; L438-L446 HydrophobicContact CD1-CB 4.28Å; L438-L446 HydrophobicContact CD1-CD2 3.65Å; E442-L446 PolarHBondContact O-N 3.24Å; R443-L446 PolarHBondContact O-N 2.92Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.48Å; L446-L448 VanDerWaalsContact C-N 3.34Å; L446-L448 PolarHBondContact O-N 3.38Å; L446-A449 WeakPolarHBondContact O-CB 3.47Å; L446-A449 PolarHBondContact O-N 3.06Å; L446-K450 PolarHBondContact O-N 2.86Å; L446-K450 VanDerWaalsContact O-N 3.09Å
447	H	86.2	Confident	84.7	Confident	7 Å²	7	27.5 Å²	27.5	3%	0.032	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-44.2	175.1	-67.8	146.5	0	0	0	112.2	V384 R388 M391 R443 G444 A449 K450 L451	V384-H447 HydrophobicContact CG1-CB 3.75Å; R388-H447 WeakPolarHBondContact CG-CE1 3.37Å; M391-H447 WeakPolarHBondContact CE-CD2 3.46Å; M391-H447 WeakPolarHBondContact CE-NE2 3.24Å; M391-H447 VanDerWaalsContact SD-CD2 3.53Å; R443-H447 PolarHBondContact O-N 2.9Å; R443-H447 PolarHBondContact O-ND1 2.75Å; G444-H447 WeakPolarHBondContact O-CB 3.38Å; G444-H447 PolarHBondContact O-N 2.72Å; H447-A449 VanDerWaalsContact C-N 3.28Å; H447-A449 PolarHBondContact O-N 3.18Å; H447-K450 PolarHBondContact O-N 2.91Å; H447-L451 WeakPolarHBondContact O-CB 3.47Å; H447-L451 PolarHBondContact O-N 3.3Å
448	L	89	Confident	85	Confident	7 Å²	7	21.4 Å²	21.4	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-44.3	177.3	-175.5	65.3	0	0	0	110.5	F424 G444 R445 L446 K450 L451 L452 L461 P464 L468 L476	F424-L448 HydrophobicContact CD1-CB 4.46Å; F424-L448 HydrophobicContact CD1-CD2 4.2Å; F424-L448 HydrophobicContact CD1-CG 4.29Å; F424-L448 HydrophobicContact CE1-CB 4.39Å; F424-L448 HydrophobicContact CE1-CD2 4.08Å; F424-L448 HydrophobicContact CE1-CG 3.89Å; G444-L448 PolarHBondContact O-N 3.31Å; R445-L448 PolarHBondContact O-N 3.07Å; L446-L448 VanDerWaalsContact C-N 3.34Å; L446-L448 PolarHBondContact O-N 3.38Å; L448-K450 PolarHBondContact O-N 2.86Å; L448-L451 PolarHBondContact O-N 3.33Å; L448-L452 HydrophobicContact CD1-CD1 4.08Å; L448-L452 HydrophobicContact CD1-CD2 4.48Å; L448-L452 HydrophobicContact CD1-CG 4.07Å; L448-L452 HydrophobicContact CG-CD1 4.14Å; L448-L452 HydrophobicContact CG-CG 4.37Å; L448-L452 WeakPolarHBondContact O-CB 3.07Å; L448-L452 VanDerWaalsContact O-CG 3.29Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.4Å; L448-L461 HydrophobicContact CD1-CD2 4.1Å; L448-P464 HydrophobicContact CD1-CB 3.91Å; L448-P464 HydrophobicContact CD2-CB 4.34Å; L448-L468 HydrophobicContact CD2-CD1 4.09Å; L448-L476 HydrophobicContact CD1-CD1 4.32Å; L448-L476 HydrophobicContact CD2-CD1 4.39Å; L448-L476 HydrophobicContact CD2-CD2 4.07Å
449	A	89.7	Confident	85.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-48.8	175.9	0	0	0	0	0	112.5	V401 Y420 F424 R445 L446 H447 Q453	V401-A449 HydrophobicContact CG2-CB 4.28Å; Y420-A449 HydrophobicContact CE1-CB 4.46Å; Y420-A449 PolarHBondContact OH-O 3.49Å; F424-A449 HydrophobicContact CB-CB 4.29Å; F424-A449 HydrophobicContact CD1-CB 3.97Å; F424-A449 HydrophobicContact CD2-CB 3.44Å; F424-A449 VanDerWaalsContact CD2-CB 3.44Å; F424-A449 HydrophobicContact CE1-CB 4.12Å; F424-A449 HydrophobicContact CE2-CB 3.61Å; F424-A449 HydrophobicContact CG-CB 3.61Å; F424-A449 VanDerWaalsContact CZ-CA 3.46Å; F424-A449 HydrophobicContact CZ-CB 3.94Å; R445-A449 PolarHBondContact O-N 3.34Å; L446-A449 WeakPolarHBondContact O-CB 3.47Å; L446-A449 PolarHBondContact O-N 3.06Å; H447-A449 VanDerWaalsContact C-N 3.28Å; H447-A449 PolarHBondContact O-N 3.18Å; A449-Q453 WeakPolarHBondContact O-CB 3.31Å; A449-Q453 PolarHBondContact O-N 3.17Å
450	K	87.9	Confident	86.1	Confident	25 Å²	25	18.6 Å²	18.6	11%	0.109	12%	0.118	C	C	.	.	H	α-helix	trans	-65.8	-41.8	179.7	-68.5	-170	73.3	-178.1	0	112.9	F387 M391 E400 V401 L446 H447 L448 Q453 V454	F387-K450 HydrophobicContact CD1-CB 4.39Å; F387-K450 HydrophobicContact CG-CB 4.47Å; M391-K450 HydrophobicContact CG-CD 4.23Å; M391-K450 HydrophobicContact SD-CD 4.04Å; E400-K450 HydrophobicContact CG-CD 4.23Å; E400-K450 IonicContact OE1-NZ 3.06Å; E400-K450 PolarHBondContact OE1-NZ 3.15Å; V401-K450 HydrophobicContact CG2-CG 4.41Å; L446-K450 PolarHBondContact O-N 2.86Å; L446-K450 VanDerWaalsContact O-N 3.09Å; H447-K450 PolarHBondContact O-N 2.91Å; L448-K450 PolarHBondContact O-N 2.86Å; K450-Q453 WeakPolarHBondContact O-CB 3.11Å; K450-Q453 PolarHBondContact O-N 3.22Å; K450-V454 WeakPolarHBondContact O-CG2 3.4Å; K450-V454 PolarHBondContact O-N 3.47Å; K450-V454 VanDerWaalsContact O-N 3.12Å
451	L	86.4	Confident	87	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-48	-179.9	-173.6	161	0	0	0	110.7	A382 S383 V384 F387 H447 L448 Q453 V454 G455 L459 L461	A382-L451 HydrophobicContact CB-CD2 4.42Å; A382-L451 HydrophobicContact CB-CG 4.42Å; S383-L451 VanDerWaalsContact C-CD1 3.48Å; V384-L451 HydrophobicContact CB-CD1 4.34Å; V384-L451 HydrophobicContact CG2-CD1 3.49Å; V384-L451 VanDerWaalsContact CG2-CD1 3.49Å; F387-L451 HydrophobicContact CE2-CB 4.37Å; H447-L451 WeakPolarHBondContact O-CB 3.47Å; H447-L451 PolarHBondContact O-N 3.3Å; L448-L451 PolarHBondContact O-N 3.33Å; L451-Q453 PolarHBondContact O-N 3.4Å; L451-V454 PolarHBondContact O-N 3.11Å; L451-G455 PolarHBondContact O-N 3.3Å; L451-L459 HydrophobicContact CD2-CD2 4.04Å; L451-L461 HydrophobicContact CD1-CD2 3.69Å; L451-L461 HydrophobicContact CD2-CD2 3.54Å; L451-L461 HydrophobicContact CG-CD2 4.26Å
452	L	87.6	Confident	87.7	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.2	-24.3	179.1	-63	-170.5	0	0	0	112.6	L304 I306 P307 F424 L448 L459 L476	L304-L452 HydrophobicContact CD1-CD1 4.23Å; L304-L452 HydrophobicContact CD2-CD1 3.74Å; L304-L452 HydrophobicContact CG-CD1 4.22Å; I306-L452 HydrophobicContact CD1-CD2 3.65Å; I306-L452 HydrophobicContact CG1-CD1 4.38Å; I306-L452 HydrophobicContact CG1-CD2 3.85Å; I306-L452 HydrophobicContact CG2-CD2 4.28Å; P307-L452 WeakPolarHBondContact CD-O 3.37Å; F424-L452 HydrophobicContact CE1-CD1 4Å; F424-L452 HydrophobicContact CZ-CB 4.41Å; F424-L452 HydrophobicContact CZ-CD1 4.06Å; L448-L452 HydrophobicContact CD1-CD1 4.08Å; L448-L452 HydrophobicContact CD1-CD2 4.48Å; L448-L452 HydrophobicContact CD1-CG 4.07Å; L448-L452 HydrophobicContact CG-CD1 4.14Å; L448-L452 HydrophobicContact CG-CG 4.37Å; L448-L452 WeakPolarHBondContact O-CB 3.07Å; L448-L452 VanDerWaalsContact O-CG 3.29Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.4Å; L452-L459 HydrophobicContact CD2-CD1 4.34Å; L452-L476 HydrophobicContact CD1-CD1 3.87Å
453	Q	84.3	Confident	87.9	Confident	50 Å²	50	16.7 Å²	16.7	23%	0.234	9%	0.09	C	C	.	.	H	α-helix	trans	-70	-44.7	172.5	178.3	-171.2	-4.2	0	0	112.3	V401 M408 I410 Y420 A449 K450 L451 G455	V401-Q453 PolarHBondContact O-NE2 2.91Å; V401-Q453 PolarHBondContact O-OE1 2.73Å; M408-Q453 HydrophobicContact CE-CG 4.11Å; I410-Q453 HydrophobicContact CG1-CG 4.31Å; Y420-Q453 HydrophobicContact CE1-CB 4.24Å; Y420-Q453 PolarHBondContact OH-N 3.14Å; A449-Q453 WeakPolarHBondContact O-CB 3.31Å; A449-Q453 PolarHBondContact O-N 3.17Å; K450-Q453 WeakPolarHBondContact O-CB 3.11Å; K450-Q453 PolarHBondContact O-N 3.22Å; L451-Q453 PolarHBondContact O-N 3.4Å; Q453-G455 VanDerWaalsContact C-N 3.32Å
454	V	79.3	Confident	88.1	Confident	72 Å²	72	14.3 Å²	14.3	44%	0.436	8%	0.083	S	C	.	.	H	α-helix	trans	-69.7	-35.9	-179.3	174.1	0	0	0	0	110.7	F387 K450 L451	F387-V454 HydrophobicContact CE1-CG2 4.13Å; F387-V454 HydrophobicContact CZ-CB 4.26Å; F387-V454 HydrophobicContact CZ-CG2 3.65Å; K450-V454 WeakPolarHBondContact O-CG2 3.4Å; K450-V454 PolarHBondContact O-N 3.47Å; K450-V454 VanDerWaalsContact O-N 3.12Å; L451-V454 PolarHBondContact O-N 3.11Å
455	G	77.6	Confident	88.4	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.01	7%	0.068	C	C	.	.			trans	60.3	-159.8	-177	0	0	0	0	0	111.9	A382 L451 Q453	A382-G455 WeakPolarHBondContact CB-O 3.36Å; L451-G455 PolarHBondContact O-N 3.3Å; Q453-G455 VanDerWaalsContact C-N 3.32Å
456	G	86.3	Confident	88.2	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.01	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	155.6	-171.1	-170.8	0	0	0	0	0	108.2	G309 K380 F483	G309-G456 VanDerWaalsContact CA-O 3.22Å; G309-G456 WeakPolarHBondContact CA-O 3.36Å; G309-G456 PolarHBondContact N-O 3.15Å; K380-G456 WeakPolarHBondContact O-CA 3.17Å; G456-F483 WeakPolarHBondContact O-CE2 3.39Å; G456-F483 WeakPolarHBondContact O-CZ 3.46Å
457	N	92.1	Very high	87.8	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.011	8%	0.078	C	C	.	.	S	Bend	trans	-119.5	-2.2	169.2	63.2	14.9	0	0	0	112.5	P310 L312 T378 V379 K380 G485 C486	P310-N457 PolarHBondContact O-ND2 2.84Å; L312-N457 HydrophobicContact CB-CB 4.26Å; L312-N457 HydrophobicContact CD1-CB 4.31Å; T378-N457 PolarHBondContact O-ND2 2.86Å; V379-N457 WeakPolarHBondContact CA-OD1 3.42Å; K380-N457 PolarHBondContact N-OD1 2.87Å; K380-N457 PolarHBondContact O-N 3.14Å; K380-N457 PolarHBondContact O-OD1 3.2Å; N457-G485 WeakPolarHBondContact O-CA 3.42Å; N457-C486 PolarHBondContact O-N 2.88Å
458	M	93.6	Very high	87.7	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	111.9	166.6	-173.6	173.5	-177	0	0	109.8	V316 L317 I339 I362 L375 V379 K380 L381 A382 L460 C486 M488	V316-M458 HydrophobicContact CG1-SD 3.92Å; L317-M458 HydrophobicContact CB-CE 3.99Å; L317-M458 HydrophobicContact CD2-CE 3.98Å; L317-M458 HydrophobicContact CG-CE 4.47Å; I339-M458 HydrophobicContact CD1-CE 4.04Å; I362-M458 HydrophobicContact CG2-CE 4.46Å; L375-M458 HydrophobicContact CD2-CE 4.5Å; L375-M458 HydrophobicContact CD2-SD 3.84Å; V379-M458 HydrophobicContact CG1-CB 3.64Å; V379-M458 HydrophobicContact CG1-CG 4.39Å; V379-M458 HydrophobicContact CG1-SD 3.88Å; K380-M458 PolarHBondContact O-N 2.92Å; L381-M458 CarbonylContact C-O 3.58Å; L381-M458 WeakPolarHBondContact CA-O 3.33Å; L381-M458 HydrophobicContact CD1-CB 4.2Å; L381-M458 HydrophobicContact CD1-CG 3.91Å; L381-M458 HydrophobicContact CD1-SD 3.94Å; A382-M458 PolarHBondContact N-O 2.8Å; M458-L460 HydrophobicContact CE-CD2 4.22Å; M458-C486 CarbonylContact C-O 3.54Å; M458-C486 VanDerWaalsContact CA-O 3.27Å; M458-C486 WeakPolarHBondContact CA-O 3.37Å; M458-C486 HydrophobicContact CG-CB 4.5Å; M458-M488 HydrophobicContact CE-CG 4.15Å; M458-M488 HydrophobicContact CE-SD 3.77Å
459	L	94.2	Very high	87.6	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.8	-180	-51.9	179.2	0	0	0	110.5	I306 A382 L451 L452 L461 L480 F483 C486 A487 M488	I306-L459 HydrophobicContact CD1-CD1 4Å; I306-L459 HydrophobicContact CG2-CD1 4.07Å; A382-L459 HydrophobicContact CB-CD2 3.96Å; A382-L459 CarbonylContact O-C 3.6Å; A382-L459 WeakPolarHBondContact O-CA 3.4Å; L451-L459 HydrophobicContact CD2-CD2 4.04Å; L452-L459 HydrophobicContact CD2-CD1 4.34Å; L459-L461 HydrophobicContact CB-CD2 4.48Å; L459-L461 HydrophobicContact CB-CG 4.4Å; L459-L480 HydrophobicContact CD1-CD2 4.15Å; L459-F483 HydrophobicContact CD1-CD1 3.92Å; L459-F483 HydrophobicContact CD1-CE1 3.65Å; L459-F483 HydrophobicContact CD1-CE2 4.29Å; L459-F483 HydrophobicContact CD1-CG 4.35Å; L459-F483 HydrophobicContact CD1-CZ 3.84Å; L459-F483 HydrophobicContact CD2-CE1 4.38Å; L459-F483 HydrophobicContact CD2-CZ 3.96Å; L459-F483 HydrophobicContact CG-CD1 4.34Å; L459-F483 HydrophobicContact CG-CE1 3.59Å; L459-F483 HydrophobicContact CG-CZ 3.68Å; L459-C486 PolarHBondContact N-O 3.29Å; L459-A487 HydrophobicContact CB-CB 4.18Å; L459-A487 CarbonylContact O-C 3.53Å; L459-A487 WeakPolarHBondContact O-CA 3.14Å; L459-M488 PolarHBondContact O-N 3.13Å
460	L	94.1	Very high	87.4	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	106.8	168.1	-55	-174.6	0	0	0	108.7	F359 I362 L381 A382 M458 M488	F359-L460 HydrophobicContact CB-CD1 4.13Å; F359-L460 HydrophobicContact CD1-CB 4.36Å; F359-L460 HydrophobicContact CD1-CD1 4.15Å; F359-L460 HydrophobicContact CD1-CD2 4.11Å; F359-L460 HydrophobicContact CD1-CG 4.45Å; F359-L460 HydrophobicContact CD2-CB 3.84Å; F359-L460 HydrophobicContact CE1-CB 4.32Å; F359-L460 HydrophobicContact CE1-CD2 3.92Å; F359-L460 HydrophobicContact CE2-CB 3.82Å; F359-L460 HydrophobicContact CG-CB 4.11Å; F359-L460 HydrophobicContact CG-CD1 4.05Å; F359-L460 HydrophobicContact CZ-CB 4.06Å; F359-L460 HydrophobicContact CZ-CD2 4.33Å; I362-L460 HydrophobicContact CB-CD1 4.26Å; I362-L460 HydrophobicContact CG2-CD1 3.96Å; I362-L460 HydrophobicContact CG2-CD2 4.47Å; L381-L460 HydrophobicContact CD1-CD1 3.87Å; L381-L460 HydrophobicContact CD1-CD2 4.2Å; L381-L460 HydrophobicContact CD1-CG 3.79Å; L381-L460 HydrophobicContact CD2-CD1 3.97Å; L381-L460 HydrophobicContact CG-CD1 4.21Å; L381-L460 HydrophobicContact CG-CG 4.33Å; A382-L460 PolarHBondContact O-N 2.72Å; M458-L460 HydrophobicContact CE-CD2 4.22Å; L460-M488 HydrophobicContact CD2-CB 3.81Å; L460-M488 HydrophobicContact CD2-CG 4Å; L460-M488 HydrophobicContact CD2-SD 3.93Å
461	L	93	Very high	87.2	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.4	-177.6	-56.3	-176.9	0	0	0	109.5	F359 L448 L451 L459 P464 L480 M488 V489 I490	F359-L461 WeakPolarHBondContact CE2-O 3.49Å; L448-L461 HydrophobicContact CD1-CD2 4.1Å; L451-L461 HydrophobicContact CD1-CD2 3.69Å; L451-L461 HydrophobicContact CD2-CD2 3.54Å; L451-L461 HydrophobicContact CG-CD2 4.26Å; L459-L461 HydrophobicContact CB-CD2 4.48Å; L459-L461 HydrophobicContact CB-CG 4.4Å; L461-P464 HydrophobicContact CB-CB 4.2Å; L461-P464 HydrophobicContact CB-CG 3.88Å; L461-P464 HydrophobicContact CD1-CG 4.32Å; L461-L480 HydrophobicContact CD1-CD1 4.05Å; L461-L480 HydrophobicContact CD1-CD2 3.91Å; L461-M488 PolarHBondContact N-O 3.45Å; L461-V489 HydrophobicContact CB-CB 4.4Å; L461-V489 HydrophobicContact CB-CG1 3.99Å; L461-V489 HydrophobicContact CB-CG2 4.16Å; L461-V489 HydrophobicContact CD1-CG2 4Å; L461-V489 HydrophobicContact CG-CG2 4.34Å; L461-V489 CarbonylContact O-C 3.52Å; L461-V489 WeakPolarHBondContact O-CA 3.47Å; L461-I490 PolarHBondContact O-N 3.4Å
462	D	90.6	Very high	87.1	Confident	27 Å²	27	14.5 Å²	14.5	14%	0.144	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.3	179	-164.8	-2.7	0	0	0	109.8	S356 F359 I490	S356-D462 WeakPolarHBondContact CB-OD2 3.33Å; S356-D462 PolarHBondContact OG-OD2 2.98Å; F359-D462 HydrophobicContact CD2-CB 4.27Å; F359-D462 HydrophobicContact CE2-CB 4.2Å; D462-I490 HydrophobicContact CB-CD1 4.27Å; D462-I490 WeakPolarHBondContact OD1-CD1 3.45Å
463	E	88.9	Confident	87.2	Confident	34 Å²	34	14.5 Å²	14.5	16%	0.159	8%	0.079	C	C	.	.	S	Bend	trans	49.6	52.9	-179.5	-62.9	-69.5	171.9	0	0	114.1	K355 T465 N466 I490 S491 H492	K355-E463 IonicContact NZ-OE1 2.72Å; E463-T465 PolarHBondContact O-N 3.46Å; E463-N466 WeakPolarHBondContact CB-ND2 3.43Å; E463-N466 PolarHBondContact O-N 3.34Å; E463-I490 WeakPolarHBondContact CA-O 3.06Å; E463-I490 HydrophobicContact CG-CG2 4.12Å; E463-I490 PolarHBondContact N-O 2.84Å; E463-I490 WeakPolarHBondContact OE1-CG2 3.48Å; E463-S491 WeakPolarHBondContact OE2-CA 3.25Å; E463-H492 IonicContact OE1-CD2 2.86Å; E463-H492 PolarHBondContact OE1-CD2 3.25Å; E463-H492 IonicContact OE1-CG 3.57Å; E463-H492 IonicContact OE1-NE2 3.37Å; E463-H492 PolarHBondContact OE1-NE2 3.49Å; E463-H492 IonicContact OE2-CD2 3.83Å; E463-H492 PolarHBondContact OE2-N 3.35Å
464	P	90.2	Very high	87.5	Confident	12 Å²	12	12.4 Å²	12.4	8%	0.078	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.6	-174.2	34.9	-38.8	0	0	0	113.2	L448 L461 L468 L476 V489 I490 F496	L448-P464 HydrophobicContact CD1-CB 3.91Å; L448-P464 HydrophobicContact CD2-CB 4.34Å; L461-P464 HydrophobicContact CB-CB 4.2Å; L461-P464 HydrophobicContact CB-CG 3.88Å; L461-P464 HydrophobicContact CD1-CG 4.32Å; P464-L468 WeakPolarHBondContact O-CD1 3.19Å; P464-L468 WeakPolarHBondContact O-CG 3.46Å; P464-L476 HydrophobicContact CB-CD2 3.94Å; P464-L476 HydrophobicContact CG-CD2 4.22Å; P464-V489 HydrophobicContact CG-CG1 3.53Å; P464-I490 VanDerWaalsContact CD-O 3.22Å; P464-I490 WeakPolarHBondContact CD-O 3.38Å; P464-F496 HydrophobicContact CG-CZ 4.44Å
465	T	88.5	Confident	87.9	Confident	11 Å²	11	9.5 Å²	9.5	7%	0.067	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.1	-176.8	57.1	0	0	0	0	112.7	E463 D467 L468 L473 S491 D493 F496	E463-T465 PolarHBondContact O-N 3.46Å; T465-D467 PolarHBondContact O-N 3.44Å; T465-L468 PolarHBondContact O-N 3.08Å; T465-L473 HydrophobicContact CG2-CD1 3.42Å; T465-L473 VanDerWaalsContact CG2-CD1 3.42Å; T465-S491 WeakPolarHBondContact CG2-OG 3.43Å; T465-S491 PolarHBondContact OG1-OG 3.46Å; T465-D493 HydrophobicContact CG2-CB 4.14Å; T465-F496 HydrophobicContact CG2-CB 4.16Å; T465-F496 HydrophobicContact CG2-CD1 3.66Å; T465-F496 HydrophobicContact CG2-CD2 3.78Å; T465-F496 HydrophobicContact CG2-CE1 3.88Å; T465-F496 HydrophobicContact CG2-CE2 4.01Å; T465-F496 HydrophobicContact CG2-CG 3.6Å; T465-F496 HydrophobicContact CG2-CZ 4.04Å
466	N	84.1	Confident	88.6	Confident	36 Å²	36	9.5 Å²	9.5	19%	0.193	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	135.8	-179.7	-77.3	-25.8	0	0	0	111.3	E463 L468	E463-N466 WeakPolarHBondContact CB-ND2 3.43Å; E463-N466 PolarHBondContact O-N 3.34Å; N466-L468 PolarHBondContact O-N 3.39Å
467	D	80.6	Confident	88.9	Confident	22 Å²	22	9.4 Å²	9.4	12%	0.118	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	16.1	177.4	-51.3	-75.8	0	0	0	114.5	N34 Q69 N184 G441 R445 T465	N34-D467 PolarHBondContact ND2-O 3.08Å; Q69-D467 PolarHBondContact NE2-OD1 3.44Å; N184-D467 PolarHBondContact ND2-OD1 2.78Å; G441-D467 VanDerWaalsContact CA-CG 3.5Å; G441-D467 WeakPolarHBondContact CA-OD2 3.29Å; R445-D467 PolarHBondContact NH1-O 3.45Å; T465-D467 PolarHBondContact O-N 3.44Å
468	L	84.5	Confident	88.8	Confident	1 Å²	1	10 Å²	10	1%	0.005	5%	0.054	C	C	.	.			trans	-90.6	135	168.8	-66.1	-169.4	0	0	0	110.4	H210 R445 L448 P464 T465 N466 T472 L473 L476	H210-L468 PolarHBondContact CD2-O 2.91Å; H210-L468 PolarHBondContact NE2-O 3.46Å; R445-L468 HydrophobicContact CG-CD2 3.64Å; L448-L468 HydrophobicContact CD2-CD1 4.09Å; P464-L468 WeakPolarHBondContact O-CD1 3.19Å; P464-L468 WeakPolarHBondContact O-CG 3.46Å; T465-L468 PolarHBondContact O-N 3.08Å; N466-L468 PolarHBondContact O-N 3.39Å; L468-T472 HydrophobicContact CD1-CG2 4.24Å; L468-T472 HydrophobicContact CD2-CG2 3.83Å; L468-T472 HydrophobicContact CG-CG2 4.5Å; L468-L473 HydrophobicContact CB-CB 4.4Å; L468-L476 HydrophobicContact CD1-CD2 4.04Å
469	D	85.4	Confident	88.7	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.			trans	-68.9	160.6	166.2	61.7	34.1	0	0	0	112.1	N34 H210 N425 E471 T472 L473	N34-D469 PolarHBondContact N-OD2 3.19Å; H210-D469 VanDerWaalsContact CE1-CA 3.5Å; H210-D469 WeakPolarHBondContact CE1-CA 3.22Å; N425-D469 VanDerWaalsContact CG-OD2 3.31Å; N425-D469 PolarHBondContact ND2-OD1 3.38Å; N425-D469 PolarHBondContact ND2-OD2 2.84Å; N425-D469 PolarHBondContact OD1-OD2 3.34Å; D469-E471 PolarHBondContact O-N 3.05Å; D469-T472 PolarHBondContact O-N 2.97Å; D469-T472 VanDerWaalsContact OD1-CB 3.29Å; D469-T472 WeakPolarHBondContact OD1-CB 2.89Å; D469-T472 PolarHBondContact OD1-N 3.31Å; D469-T472 PolarHBondContact OD1-OG1 2.93Å; D469-L473 WeakPolarHBondContact O-CB 3.44Å; D469-L473 PolarHBondContact O-N 3.41Å
470	I	86.3	Confident	88.7	Confident	4 Å²	4	10.1 Å²	10.1	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-54.9	-41.5	-176.6	-65.2	-173	0	0	0	111.2	L31 H210 R212 L215 Y237 L473 R474	L31-I470 HydrophobicContact CD1-CD1 4.27Å; L31-I470 HydrophobicContact CD2-CD1 3.36Å; L31-I470 HydrophobicContact CD2-CG1 4.43Å; L31-I470 HydrophobicContact CG-CD1 4.45Å; H210-I470 HydrophobicContact CB-CG1 4.42Å; R212-I470 HydrophobicContact CG-CD1 4.28Å; L215-I470 HydrophobicContact CD1-CD1 4.03Å; Y237-I470 HydrophobicContact CD2-CD1 4.35Å; Y237-I470 HydrophobicContact CE2-CD1 3.76Å; Y237-I470 HydrophobicContact CE2-CG2 4.18Å; Y237-I470 WeakPolarHBondContact OH-CG2 3.31Å; I470-L473 PolarHBondContact O-N 2.82Å; I470-R474 HydrophobicContact CG2-CG 4.34Å; I470-R474 WeakPolarHBondContact O-CB 3.33Å; I470-R474 WeakPolarHBondContact O-CD 3.19Å; I470-R474 WeakPolarHBondContact O-CG 3.44Å; I470-R474 PolarHBondContact O-N 3.35Å
471	E	83.1	Confident	88.5	Confident	20 Å²	20	12.5 Å²	12.5	9%	0.093	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-48.2	177	-75.4	84.6	172.4	0	0	112.6	L33 K244 R258 D469 R474 A475	L33-E471 HydrophobicContact CD2-CB 4.08Å; L33-E471 HydrophobicContact CD2-CG 3.94Å; K244-E471 IonicContact NZ-OE1 3.68Å; K244-E471 PolarHBondContact NZ-OE1 3.27Å; R258-E471 IonicContact NH2-OE1 3.04Å; R258-E471 PolarHBondContact NH2-OE1 3.12Å; D469-E471 PolarHBondContact O-N 3.05Å; E471-R474 PolarHBondContact O-N 3.19Å; E471-A475 PolarHBondContact O-N 2.97Å
472	T	85.6	Confident	88.4	Confident	12 Å²	12	13.1 Å²	13.1	7%	0.074	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-40.9	-179.7	-52.3	0	0	0	0	111.4	R423 N425 L468 D469 R474 A475 L476	R423-T472 WeakPolarHBondContact O-CG2 3.46Å; N425-T472 PolarHBondContact ND2-OG1 2.93Å; L468-T472 HydrophobicContact CD1-CG2 4.24Å; L468-T472 HydrophobicContact CD2-CG2 3.83Å; L468-T472 HydrophobicContact CG-CG2 4.5Å; D469-T472 PolarHBondContact O-N 2.97Å; D469-T472 VanDerWaalsContact OD1-CB 3.29Å; D469-T472 WeakPolarHBondContact OD1-CB 2.89Å; D469-T472 PolarHBondContact OD1-N 3.31Å; D469-T472 PolarHBondContact OD1-OG1 2.93Å; T472-R474 VanDerWaalsContact C-N 3.27Å; T472-R474 PolarHBondContact O-N 3.12Å; T472-A475 WeakPolarHBondContact O-CB 3.47Å; T472-A475 PolarHBondContact O-N 3.32Å; T472-L476 PolarHBondContact O-N 3.31Å
473	L	89.9	Confident	88.4	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56	-44.6	174.2	-179.2	66.9	0	0	0	110.7	T465 L468 D469 I470 L476 E477 D493 F496	T465-L473 HydrophobicContact CG2-CD1 3.42Å; T465-L473 VanDerWaalsContact CG2-CD1 3.42Å; L468-L473 HydrophobicContact CB-CB 4.4Å; D469-L473 WeakPolarHBondContact O-CB 3.44Å; D469-L473 PolarHBondContact O-N 3.41Å; I470-L473 PolarHBondContact O-N 2.82Å; L473-L476 WeakPolarHBondContact O-CB 3.45Å; L473-L476 PolarHBondContact O-N 3.31Å; L473-E477 WeakPolarHBondContact O-CG 3.37Å; L473-E477 PolarHBondContact O-N 3.07Å; L473-D493 VanDerWaalsContact CD2-OD2 3.26Å; L473-D493 WeakPolarHBondContact CD2-OD2 3.39Å; L473-F496 HydrophobicContact CD1-CD2 3.6Å; L473-F496 HydrophobicContact CD1-CE2 4.12Å; L473-F496 HydrophobicContact CD1-CG 4.3Å; L473-F496 HydrophobicContact CG-CD2 4.31Å
474	R	88.7	Confident	88.4	Confident	6 Å²	6	10.5 Å²	10.5	2%	0.023	6%	0.058	C	C	.	.	H	α-helix	trans	-69.5	-36.5	177.5	-71.7	168.5	52.5	-174.7	-19	113.8	S261 E265 I470 E471 T472 L476 E477 N478	S261-R474 PolarHBondContact O-NH2 3.08Å; S261-R474 VanDerWaalsContact O-NH2 3.08Å; S261-R474 PolarHBondContact OG-NH2 3.19Å; E265-R474 WeakPolarHBondContact OE2-CD 3.16Å; E265-R474 IonicContact OE2-CZ 4Å; E265-R474 IonicContact OE2-NE 3.87Å; E265-R474 PolarHBondContact OE2-NE 2.78Å; E265-R474 IonicContact OE2-NH1 2.76Å; E265-R474 PolarHBondContact OE2-NH1 2.94Å; E265-R474 IonicContact OE2-NH2 2.71Å; I470-R474 HydrophobicContact CG2-CG 4.34Å; I470-R474 WeakPolarHBondContact O-CB 3.33Å; I470-R474 WeakPolarHBondContact O-CD 3.19Å; I470-R474 WeakPolarHBondContact O-CG 3.44Å; I470-R474 PolarHBondContact O-N 3.35Å; E471-R474 PolarHBondContact O-N 3.19Å; T472-R474 VanDerWaalsContact C-N 3.27Å; T472-R474 PolarHBondContact O-N 3.12Å; R474-L476 VanDerWaalsContact C-N 3.28Å; R474-E477 WeakPolarHBondContact CA-OE2 3.28Å; R474-E477 PolarHBondContact O-N 2.99Å; R474-N478 PolarHBondContact O-N 3.12Å; R474-N478 PolarHBondContact O-ND2 2.76Å
475	A	88	Confident	88.5	Confident	10 Å²	10	10 Å²	10	8%	0.083	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-41.9	171.6	0	0	0	0	0	110.4	E303 L304 E471 T472 N478 A479	E303-A475 HydrophobicContact CB-CB 4.16Å; L304-A475 HydrophobicContact CB-CB 4Å; E471-A475 PolarHBondContact O-N 2.97Å; T472-A475 WeakPolarHBondContact O-CB 3.47Å; T472-A475 PolarHBondContact O-N 3.32Å; A475-N478 PolarHBondContact O-N 2.82Å; A475-A479 VanDerWaalsContact O-CB 3.27Å; A475-A479 WeakPolarHBondContact O-CB 3.3Å; A475-A479 PolarHBondContact O-N 2.93Å
476	L	92.4	Very high	88.8	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-45.4	173.6	179.8	65.8	0	0	0	112.8	L304 L448 L452 P464 L468 T472 L473 R474 N478 A479 L480 F496	L304-L476 HydrophobicContact CD2-CB 4.18Å; L304-L476 HydrophobicContact CD2-CD1 4.13Å; L448-L476 HydrophobicContact CD1-CD1 4.32Å; L448-L476 HydrophobicContact CD2-CD1 4.39Å; L448-L476 HydrophobicContact CD2-CD2 4.07Å; L452-L476 HydrophobicContact CD1-CD1 3.87Å; P464-L476 HydrophobicContact CB-CD2 3.94Å; P464-L476 HydrophobicContact CG-CD2 4.22Å; L468-L476 HydrophobicContact CD1-CD2 4.04Å; T472-L476 PolarHBondContact O-N 3.31Å; L473-L476 WeakPolarHBondContact O-CB 3.45Å; L473-L476 PolarHBondContact O-N 3.31Å; R474-L476 VanDerWaalsContact C-N 3.28Å; L476-N478 VanDerWaalsContact C-N 3.34Å; L476-N478 PolarHBondContact O-N 3.43Å; L476-A479 PolarHBondContact O-N 3.2Å; L476-L480 HydrophobicContact CD1-CD1 4.1Å; L476-L480 HydrophobicContact CD1-CG 4.21Å; L476-L480 HydrophobicContact CG-CD1 4.02Å; L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.45Å; L476-F496 HydrophobicContact CD2-CE2 4Å; L476-F496 HydrophobicContact CD2-CZ 4.2Å; L476-F496 HydrophobicContact CG-CE2 4.19Å
477	E	93.3	Very high	89.3	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-56.5	-49	175.7	-70.5	170.9	148	0	0	111.7	R212 L473 R474 A479 L480 L481 F496 R499 I500	R212-E477 IonicContact CZ-OE1 2.86Å; R212-E477 VanDerWaalsContact CZ-OE1 3.29Å; R212-E477 IonicContact CZ-OE2 3.69Å; R212-E477 IonicContact NH1-OE1 2.83Å; R212-E477 PolarHBondContact NH1-OE1 2.93Å; R212-E477 VanDerWaalsContact NH1-OE1 3.11Å; R212-E477 IonicContact NH1-OE2 3.85Å; R212-E477 PolarHBondContact NH1-OE2 2.98Å; R212-E477 IonicContact NH2-OE1 2.95Å; R212-E477 PolarHBondContact NH2-OE1 3.3Å; R212-E477 IonicContact NH2-OE2 2.93Å; L473-E477 WeakPolarHBondContact O-CG 3.37Å; L473-E477 PolarHBondContact O-N 3.07Å; R474-E477 WeakPolarHBondContact CA-OE2 3.28Å; R474-E477 PolarHBondContact O-N 2.99Å; E477-A479 VanDerWaalsContact C-N 3.35Å; E477-L480 PolarHBondContact O-N 3.03Å; E477-L481 WeakPolarHBondContact O-CB 3.26Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.45Å; E477-L481 PolarHBondContact O-N 3.48Å; E477-F496 HydrophobicContact CG-CD2 3.38Å; E477-F496 HydrophobicContact CG-CE2 3.7Å; E477-F496 HydrophobicContact CG-CG 4.43Å; E477-F496 WeakPolarHBondContact OE1-CA 3.24Å; E477-R499 VanDerWaalsContact OE2-CD 3.31Å; E477-R499 WeakPolarHBondContact OE2-CD 3.37Å; E477-R499 IonicContact OE2-CZ 3.29Å; E477-R499 IonicContact OE2-NE 3.79Å; E477-R499 PolarHBondContact OE2-NE 3.49Å; E477-R499 IonicContact OE2-NH1 3.39Å; E477-R499 PolarHBondContact OE2-NH1 3.39Å; E477-I500 HydrophobicContact CB-CG2 4Å; E477-I500 HydrophobicContact CG-CG2 4.05Å
478	N	90.6	Very high	90.1	Very high	15 Å²	15	6.7 Å²	6.7	8%	0.08	4%	0.037	C	C	.	.	H	α-helix	trans	-63.6	-43.4	178.1	-72.1	-33.7	0	0	0	111	S261 R474 A475 L476 L480 L481 E482 R499	S261-N478 WeakPolarHBondContact CB-ND2 3.39Å; S261-N478 PolarHBondContact OG-ND2 2.88Å; R474-N478 PolarHBondContact O-N 3.12Å; R474-N478 PolarHBondContact O-ND2 2.76Å; A475-N478 PolarHBondContact O-N 2.82Å; L476-N478 VanDerWaalsContact C-N 3.34Å; L476-N478 PolarHBondContact O-N 3.43Å; N478-L480 VanDerWaalsContact C-N 3.29Å; N478-L480 PolarHBondContact O-N 3.01Å; N478-L481 PolarHBondContact O-N 3.01Å; N478-E482 VanDerWaalsContact O-CG 3.31Å; N478-E482 WeakPolarHBondContact O-CG 3.4Å; N478-E482 PolarHBondContact O-N 2.76Å; N478-R499 PolarHBondContact OD1-NH2 3.17Å
479	A	91.1	Very high	90.7	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-59.9	-40.9	178.3	0	0	0	0	0	111.7	L304 I306 A475 L476 E477 F483	L304-A479 HydrophobicContact CB-CB 4.05Å; L304-A479 HydrophobicContact CD2-CB 4.07Å; L304-A479 HydrophobicContact CG-CB 3.92Å; L304-A479 WeakPolarHBondContact O-CB 3.13Å; I306-A479 HydrophobicContact CD1-CB 4.06Å; I306-A479 HydrophobicContact CG1-CB 3.94Å; A475-A479 VanDerWaalsContact O-CB 3.27Å; A475-A479 WeakPolarHBondContact O-CB 3.3Å; A475-A479 PolarHBondContact O-N 2.93Å; L476-A479 PolarHBondContact O-N 3.2Å; E477-A479 VanDerWaalsContact C-N 3.35Å; A479-F483 WeakPolarHBondContact O-CB 3.35Å; A479-F483 PolarHBondContact O-N 3.48Å
480	L	93.5	Very high	91.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-71	-36.4	175.2	-72	171.6	0	0	0	113	R283 I306 I344 L459 L461 L476 E477 N478 E482 F483 A487 V489 F496 I500	R283-L480 PolarHBondContact NH1-O 2.97Å; R283-L480 PolarHBondContact NH2-O 3.45Å; I306-L480 HydrophobicContact CD1-CD2 3.8Å; I306-L480 HydrophobicContact CD1-CG 4.26Å; I344-L480 HydrophobicContact CD1-CB 4.09Å; I344-L480 WeakPolarHBondContact CD1-O 3.35Å; L459-L480 HydrophobicContact CD1-CD2 4.15Å; L461-L480 HydrophobicContact CD1-CD1 4.05Å; L461-L480 HydrophobicContact CD1-CD2 3.91Å; L476-L480 HydrophobicContact CD1-CD1 4.1Å; L476-L480 HydrophobicContact CD1-CG 4.21Å; L476-L480 HydrophobicContact CG-CD1 4.02Å; L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 WeakPolarHBondContact O-CG 3.49Å; L476-L480 PolarHBondContact O-N 3.45Å; E477-L480 PolarHBondContact O-N 3.03Å; N478-L480 VanDerWaalsContact C-N 3.29Å; N478-L480 PolarHBondContact O-N 3.01Å; L480-E482 VanDerWaalsContact C-N 3.32Å; L480-F483 PolarHBondContact O-N 3.09Å; L480-A487 HydrophobicContact CD2-CB 4.23Å; L480-V489 HydrophobicContact CD1-CG2 4.47Å; L480-F496 HydrophobicContact CD1-CE2 4.24Å; L480-F496 HydrophobicContact CD1-CZ 3.69Å; L480-I500 HydrophobicContact CD1-CD1 3.6Å
481	L	91.2	Very high	91.4	Very high	51 Å²	51	6.5 Å²	6.5	27%	0.267	4%	0.035	S	C	.	.	H	α-helix	trans	-64.6	-36.9	174.7	-75	170.6	0	0	0	112.2	E477 N478 R499 I500	E477-L481 WeakPolarHBondContact O-CB 3.26Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.45Å; E477-L481 PolarHBondContact O-N 3.48Å; N478-L481 PolarHBondContact O-N 3.01Å; L481-R499 HydrophobicContact CD1-CG 4.25Å; L481-I500 HydrophobicContact CG-CG2 4.27Å
482	E	90.4	Very high	91.7	Very high	12 Å²	12	6.2 Å²	6.2	6%	0.056	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.6	179.3	-51.8	-61.4	179.6	0	0	113.4	K264 R286 Y295 N299 N478 L480 P484	K264-E482 IonicContact NZ-OE1 3.62Å; K264-E482 PolarHBondContact NZ-OE1 2.84Å; R286-E482 IonicContact NH2-OE2 3.08Å; Y295-E482 WeakPolarHBondContact CE1-OE2 3.25Å; Y295-E482 PolarHBondContact OH-OE2 3.5Å; N299-E482 WeakPolarHBondContact ND2-CB 3.37Å; N299-E482 PolarHBondContact ND2-O 2.86Å; N299-E482 VanDerWaalsContact OD1-CB 3.31Å; N299-E482 WeakPolarHBondContact OD1-CB 3.47Å; N478-E482 VanDerWaalsContact O-CG 3.31Å; N478-E482 WeakPolarHBondContact O-CG 3.4Å; N478-E482 PolarHBondContact O-N 2.76Å; L480-E482 VanDerWaalsContact C-N 3.32Å; E482-P484 WeakPolarHBondContact O-CD 3.35Å
483	F	91.2	Very high	92	Very high	1 Å²	1	6.2 Å²	6.2	0%	0.004	3%	0.034	C	C	.	.			trans	-76.4	120.9	179.2	176.4	-118.1	0	0	0	111.5	R283 I306 G456 L459 A479 L480 G485 C486	R283-F483 PolarHBondContact NH2-O 3Å; I306-F483 HydrophobicContact CB-CD2 3.77Å; I306-F483 HydrophobicContact CB-CE2 4.37Å; I306-F483 HydrophobicContact CB-CG 4.44Å; I306-F483 HydrophobicContact CD1-CB 4.28Å; I306-F483 HydrophobicContact CD1-CG 4.44Å; I306-F483 HydrophobicContact CG2-CD2 3.51Å; I306-F483 HydrophobicContact CG2-CE2 3.61Å; I306-F483 HydrophobicContact CG2-CG 4.35Å; G456-F483 WeakPolarHBondContact O-CE2 3.39Å; G456-F483 WeakPolarHBondContact O-CZ 3.46Å; L459-F483 HydrophobicContact CD1-CD1 3.92Å; L459-F483 HydrophobicContact CD1-CE1 3.65Å; L459-F483 HydrophobicContact CD1-CE2 4.29Å; L459-F483 HydrophobicContact CD1-CG 4.35Å; L459-F483 HydrophobicContact CD1-CZ 3.84Å; L459-F483 HydrophobicContact CD2-CE1 4.38Å; L459-F483 HydrophobicContact CD2-CZ 3.96Å; L459-F483 HydrophobicContact CG-CD1 4.34Å; L459-F483 HydrophobicContact CG-CE1 3.59Å; L459-F483 HydrophobicContact CG-CZ 3.68Å; A479-F483 WeakPolarHBondContact O-CB 3.35Å; A479-F483 PolarHBondContact O-N 3.48Å; L480-F483 PolarHBondContact O-N 3.09Å; F483-G485 PolarHBondContact O-N 3.28Å; F483-C486 WeakPolarHBondContact CE1-O 3.12Å
484	P	88.7	Confident	92.1	Very high	6 Å²	6	7 Å²	7	4%	0.039	4%	0.037	C	C	.	.	S	Bend	trans	-83.3	49	-176.8	36.2	-37.4	0	0	0	112.4	L290 P308 E482	L290-P484 HydrophobicContact CB-CB 4Å; P308-P484 HydrophobicContact CB-CG 3.7Å; E482-P484 WeakPolarHBondContact O-CD 3.35Å
485	G	92.1	Very high	92.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-151.4	-167.5	179.4	0	0	0	0	0	111.7	N457 F483	N457-G485 WeakPolarHBondContact O-CA 3.42Å; F483-G485 PolarHBondContact O-N 3.28Å
486	C	94.4	Very high	92.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	150.5	172.6	-65.8	0	0	0	0	111.1	L312 V316 I339 P340 G342 A343 N457 M458 L459 F483	L312-C486 HydrophobicContact CD2-CB 4.45Å; V316-C486 HydrophobicContact CG1-CB 4.13Å; I339-C486 HydrophobicContact CG2-CB 4.4Å; P340-C486 PolarHBondContact O-SG 2.95Å; G342-C486 PolarHBondContact N-SG 3.21Å; A343-C486 PolarHBondContact N-SG 2.88Å; A343-C486 WeakPolarHBondContact O-CA 3.37Å; A343-C486 WeakPolarHBondContact O-CB 3.44Å; N457-C486 PolarHBondContact O-N 2.88Å; M458-C486 CarbonylContact C-O 3.54Å; M458-C486 VanDerWaalsContact CA-O 3.27Å; M458-C486 WeakPolarHBondContact CA-O 3.37Å; M458-C486 HydrophobicContact CG-CB 4.5Å; L459-C486 PolarHBondContact N-O 3.29Å; F483-C486 WeakPolarHBondContact CE1-O 3.12Å
487	A	95.4	Very high	92.6	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.9	170.3	0	0	0	0	0	110	A343 I344 V345 L459 L480 V489	A343-A487 PolarHBondContact O-N 3.43Å; I344-A487 CarbonylContact C-O 3.52Å; I344-A487 VanDerWaalsContact CA-O 3.29Å; I344-A487 WeakPolarHBondContact CA-O 3.48Å; I344-A487 HydrophobicContact CD1-CB 4.44Å; I344-A487 HydrophobicContact CG1-CB 4.22Å; I344-A487 HydrophobicContact CG2-CB 4.42Å; V345-A487 PolarHBondContact N-O 3.02Å; L459-A487 HydrophobicContact CB-CB 4.18Å; L459-A487 CarbonylContact O-C 3.53Å; L459-A487 WeakPolarHBondContact O-CA 3.14Å; L480-A487 HydrophobicContact CD2-CB 4.23Å; A487-V489 HydrophobicContact CB-CG2 4.12Å
488	M	97	Very high	92.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.1	161.9	-58	-174.7	73.8	0	0	107.1	L317 F337 I339 V345 I347 L358 F359 I362 M458 L459 L460 L461 L505	L317-M488 HydrophobicContact CD2-SD 4.1Å; F337-M488 HydrophobicContact CE2-CE 4.44Å; F337-M488 HydrophobicContact CZ-CE 4.26Å; I339-M488 HydrophobicContact CD1-CE 4.02Å; I339-M488 HydrophobicContact CD1-CG 3.8Å; I339-M488 HydrophobicContact CD1-SD 3.51Å; I339-M488 VanDerWaalsContact CD1-SD 3.51Å; V345-M488 HydrophobicContact CB-CG 4.21Å; V345-M488 HydrophobicContact CG1-CE 4.42Å; V345-M488 HydrophobicContact CG2-CG 4.49Å; V345-M488 CarbonylContact O-C 3.54Å; V345-M488 WeakPolarHBondContact O-CA 3.44Å; I347-M488 HydrophobicContact CD1-CB 4.23Å; I347-M488 HydrophobicContact CD1-CE 3.72Å; I347-M488 HydrophobicContact CG1-CE 4.43Å; L358-M488 HydrophobicContact CD2-CE 4.15Å; F359-M488 HydrophobicContact CE1-CB 3.65Å; F359-M488 HydrophobicContact CE1-CE 4.46Å; F359-M488 HydrophobicContact CE1-SD 4.39Å; F359-M488 HydrophobicContact CZ-CB 3.84Å; F359-M488 WeakPolarHBondContact CZ-O 3.38Å; I362-M488 HydrophobicContact CD1-CE 4.12Å; I362-M488 HydrophobicContact CD1-SD 3.6Å; M458-M488 HydrophobicContact CE-CG 4.15Å; M458-M488 HydrophobicContact CE-SD 3.77Å; L459-M488 PolarHBondContact O-N 3.13Å; L460-M488 HydrophobicContact CD2-CB 3.81Å; L460-M488 HydrophobicContact CD2-CG 4Å; L460-M488 HydrophobicContact CD2-SD 3.93Å; L461-M488 PolarHBondContact N-O 3.45Å; M488-L505 HydrophobicContact CE-CD2 4.43Å
489	V	96.2	Very high	92.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	112.1	-174	-170.2	0	0	0	0	109.3	V345 G346 I347 L461 P464 L480 A487 F496 I500	V345-V489 PolarHBondContact O-N 3.31Å; G346-V489 CarbonylContact C-O 3.57Å; G346-V489 WeakPolarHBondContact CA-O 3.25Å; I347-V489 PolarHBondContact N-O 2.86Å; L461-V489 HydrophobicContact CB-CB 4.4Å; L461-V489 HydrophobicContact CB-CG1 3.99Å; L461-V489 HydrophobicContact CB-CG2 4.16Å; L461-V489 HydrophobicContact CD1-CG2 4Å; L461-V489 HydrophobicContact CG-CG2 4.34Å; L461-V489 CarbonylContact O-C 3.52Å; L461-V489 WeakPolarHBondContact O-CA 3.47Å; P464-V489 HydrophobicContact CG-CG1 3.53Å; L480-V489 HydrophobicContact CD1-CG2 4.47Å; A487-V489 HydrophobicContact CB-CG2 4.12Å; V489-F496 HydrophobicContact CB-CE1 4.43Å; V489-F496 HydrophobicContact CG1-CE1 3.64Å; V489-F496 HydrophobicContact CG1-CZ 4.16Å; V489-I500 HydrophobicContact CG2-CD1 4.14Å
490	I	94.8	Very high	92.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.8	166.6	-57.3	166.2	0	0	0	106.1	I347 K355 F359 L461 D462 E463 P464	I347-I490 HydrophobicContact CB-CB 4.49Å; I347-I490 HydrophobicContact CB-CG1 3.91Å; I347-I490 HydrophobicContact CD1-CG1 3.96Å; I347-I490 HydrophobicContact CG1-CG1 4.42Å; I347-I490 HydrophobicContact CG2-CG1 4.21Å; K355-I490 HydrophobicContact CB-CD1 3.75Å; K355-I490 HydrophobicContact CB-CG1 4.14Å; K355-I490 HydrophobicContact CB-CG2 4.29Å; K355-I490 HydrophobicContact CD-CG2 3.97Å; F359-I490 HydrophobicContact CD2-CD1 3.79Å; F359-I490 HydrophobicContact CE1-CD1 4.32Å; F359-I490 HydrophobicContact CE1-CG1 4.34Å; F359-I490 HydrophobicContact CE2-CD1 3.53Å; F359-I490 HydrophobicContact CE2-CG1 3.83Å; F359-I490 HydrophobicContact CG-CD1 4.29Å; F359-I490 HydrophobicContact CZ-CD1 3.83Å; F359-I490 HydrophobicContact CZ-CG1 3.71Å; L461-I490 PolarHBondContact O-N 3.4Å; D462-I490 HydrophobicContact CB-CD1 4.27Å; D462-I490 WeakPolarHBondContact OD1-CD1 3.45Å; E463-I490 WeakPolarHBondContact CA-O 3.06Å; E463-I490 HydrophobicContact CG-CG2 4.12Å; E463-I490 PolarHBondContact N-O 2.84Å; E463-I490 WeakPolarHBondContact OE1-CG2 3.48Å; P464-I490 VanDerWaalsContact CD-O 3.22Å; P464-I490 WeakPolarHBondContact CD-O 3.38Å
491	S	93	Very high	92.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.			trans	-155.4	144	176.7	-179.9	0	0	0	0	109.8	I347 E463 T465 D493 L497	I347-S491 PolarHBondContact O-N 2.84Å; E463-S491 WeakPolarHBondContact OE2-CA 3.25Å; T465-S491 WeakPolarHBondContact CG2-OG 3.43Å; T465-S491 PolarHBondContact OG1-OG 3.46Å; S491-D493 PolarHBondContact OG-N 3.03Å; S491-L497 WeakPolarHBondContact O-CD1 3.47Å
492	H	88.4	Confident	92.9	Very high	14 Å²	14	3.8 Å²	3.8	7%	0.065	2%	0.018	C	C	.	.			trans	-96.6	-5.4	167.8	-69.2	-58.2	0	0	0	114	L186 D187 G349 K355 E463 R494	L186-H492 VanDerWaalsContact O-CB 3.24Å; L186-H492 WeakPolarHBondContact O-CB 3.43Å; L186-H492 PolarHBondContact O-CD2 3.45Å; L186-H492 VanDerWaalsContact O-CG 3.32Å; D187-H492 VanDerWaalsContact CA-CE1 3.49Å; D187-H492 WeakPolarHBondContact CA-CE1 3.33Å; D187-H492 VanDerWaalsContact CA-ND1 3.34Å; D187-H492 WeakPolarHBondContact CA-ND1 3.4Å; D187-H492 WeakPolarHBondContact CB-CE1 3.48Å; G349-H492 PolarHBondContact O-CE1 3.11Å; K355-H492 PolarHBondContact NZ-CE1 2.72Å; K355-H492 PolarHBondContact NZ-NE2 2.65Å; E463-H492 IonicContact OE1-CD2 2.86Å; E463-H492 PolarHBondContact OE1-CD2 3.25Å; E463-H492 IonicContact OE1-CG 3.57Å; E463-H492 IonicContact OE1-NE2 3.37Å; E463-H492 PolarHBondContact OE1-NE2 3.49Å; E463-H492 IonicContact OE2-CD2 3.83Å; E463-H492 PolarHBondContact OE2-N 3.35Å; H492-R494 PolarHBondContact O-N 3.01Å; H492-R494 VanDerWaalsContact O-N 3.13Å
493	D	92.2	Very high	93.1	Very high	13 Å²	13	3.9 Å²	3.9	7%	0.07	2%	0.018	C	C	.	.			trans	-74.9	103.5	174.1	-175.5	-32.3	0	0	0	110.1	R212 T465 L473 S491 W495 F496 L497	R212-D493 IonicContact NH2-OD2 3.44Å; T465-D493 HydrophobicContact CG2-CB 4.14Å; L473-D493 VanDerWaalsContact CD2-OD2 3.26Å; L473-D493 WeakPolarHBondContact CD2-OD2 3.39Å; S491-D493 PolarHBondContact OG-N 3.03Å; D493-W495 PolarHBondContact O-N 2.96Å; D493-W495 PolarHBondContact OD1-N 2.92Å; D493-F496 HydrophobicContact CB-CB 3.74Å; D493-F496 VanDerWaalsContact CG-CB 3.45Å; D493-F496 PolarHBondContact O-N 3.23Å; D493-F496 WeakPolarHBondContact OD1-CB 3.45Å; D493-F496 PolarHBondContact OD1-N 3.27Å; D493-L497 WeakPolarHBondContact O-CG 3.43Å; D493-L497 PolarHBondContact O-N 3.47Å
494	R	92	Very high	93.3	Very high	16 Å²	16	3.8 Å²	3.8	6%	0.06	2%	0.018	C	C	.	.	H	α-helix	trans	-60.7	-42.6	-178.1	-66.2	177.9	-67.2	157.8	0.6	112.2	A188 E195 D211 Y213 H492 L497 D498 F520	A188-R494 HydrophobicContact CB-CG 3.83Å; E195-R494 IonicContact OE2-CZ 3.84Å; E195-R494 IonicContact OE2-NH1 3.75Å; E195-R494 PolarHBondContact OE2-NH1 3.23Å; E195-R494 IonicContact OE2-NH2 3.29Å; E195-R494 PolarHBondContact OE2-NH2 3.11Å; D211-R494 IonicContact OD1-NH2 2.69Å; D211-R494 IonicContact OD2-NH2 3.83Å; Y213-R494 HydrophobicContact CD2-CB 3.71Å; Y213-R494 HydrophobicContact CE2-CB 4.04Å; H492-R494 PolarHBondContact O-N 3.01Å; H492-R494 VanDerWaalsContact O-N 3.13Å; R494-L497 PolarHBondContact O-N 3.17Å; R494-D498 WeakPolarHBondContact O-CB 3.2Å; R494-D498 PolarHBondContact O-N 3.36Å; R494-F520 HydrophobicContact CB-CD1 3.93Å; R494-F520 HydrophobicContact CB-CE1 3.78Å; R494-F520 HydrophobicContact CB-CZ 4.3Å; R494-F520 HydrophobicContact CG-CD1 4.15Å; R494-F520 HydrophobicContact CG-CE1 3.53Å; R494-F520 HydrophobicContact CG-CE2 4.25Å; R494-F520 HydrophobicContact CG-CZ 3.6Å
495	W	91.6	Very high	93.7	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.008	2%	0.016	C	C	.	.	H	α-helix	trans	-66.4	-44.5	179.8	-176	-64.3	0	0	0	110.8	R212 Y213 Y237 E265 W268 V269 D493 L497 D498 R499	R212-W495 HydrophobicContact CB-CB 4.25Å; R212-W495 HydrophobicContact CB-CD2 3.77Å; R212-W495 HydrophobicContact CB-CE3 3.73Å; R212-W495 HydrophobicContact CB-CG 4.03Å; R212-W495 HydrophobicContact CB-CZ3 4.29Å; R212-W495 VanDerWaalsContact NH1-NE1 3.16Å; Y213-W495 AromaticContact CD1-CE3 3.49Å; Y213-W495 HydrophobicContact CD1-CE3 3.49Å; Y213-W495 VanDerWaalsContact CD1-CE3 3.49Å; Y213-W495 AromaticContact CD1-CZ3 3.9Å; Y213-W495 HydrophobicContact CD1-CZ3 3.9Å; Y213-W495 HydrophobicContact CD2-CB 3.98Å; Y213-W495 HydrophobicContact CD2-CE3 4.36Å; Y213-W495 HydrophobicContact CE1-CD2 4.4Å; Y213-W495 AromaticContact CE1-CE3 3.42Å; Y213-W495 HydrophobicContact CE1-CE3 3.42Å; Y213-W495 VanDerWaalsContact CE1-CE3 3.42Å; Y213-W495 AromaticContact CE1-CZ3 3.79Å; Y213-W495 HydrophobicContact CE1-CZ3 3.79Å; Y213-W495 HydrophobicContact CE2-CB 4.01Å; Y213-W495 HydrophobicContact CE2-CE3 4.35Å; Y213-W495 AromaticContact CG-CE3 3.96Å; Y213-W495 HydrophobicContact CG-CE3 3.96Å; Y213-W495 AromaticContact CZ-CE3 3.9Å; Y237-W495 HydrophobicContact CD1-CH2 4.3Å; Y237-W495 HydrophobicContact CE1-CH2 4.27Å; Y237-W495 HydrophobicContact CE1-CZ2 4.25Å; E265-W495 HydrophobicContact CG-CZ2 4.4Å; W268-W495 AromaticContact CE3-CE2 3.95Å; W268-W495 HydrophobicContact CE3-CH2 4.48Å; W268-W495 AromaticContact CE3-CZ2 3.77Å; W268-W495 HydrophobicContact CE3-CZ2 3.77Å; W268-W495 HydrophobicContact CH2-CD2 4.33Å; W268-W495 AromaticContact CZ3-CD2 3.85Å; W268-W495 HydrophobicContact CZ3-CD2 3.85Å; W268-W495 AromaticContact CZ3-CE2 3.33Å; W268-W495 HydrophobicContact CZ3-CE3 4.3Å; W268-W495 HydrophobicContact CZ3-CG 4.46Å; W268-W495 AromaticContact CZ3-CH2 3.93Å; W268-W495 HydrophobicContact CZ3-CH2 3.93Å; W268-W495 AromaticContact CZ3-CZ2 3.4Å; W268-W495 HydrophobicContact CZ3-CZ2 3.4Å; W268-W495 VanDerWaalsContact CZ3-CZ2 3.4Å; W268-W495 HydrophobicContact CZ3-CZ3 4.33Å; W268-W495 AromaticContact CZ3-NE1 3.63Å; V269-W495 HydrophobicContact CG2-CH2 3.57Å; V269-W495 HydrophobicContact CG2-CZ2 3.6Å; D493-W495 PolarHBondContact O-N 2.96Å; D493-W495 PolarHBondContact OD1-N 2.92Å; W495-L497 VanDerWaalsContact C-N 3.34Å; W495-L497 PolarHBondContact O-N 2.97Å; W495-D498 WeakPolarHBondContact O-CB 3.45Å; W495-D498 PolarHBondContact O-N 2.78Å; W495-R499 WeakPolarHBondContact O-CB 3.47Å; W495-R499 PolarHBondContact O-N 3.3Å
496	F	94.1	Very high	93.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-56.7	-49.9	176.9	173.8	-93.1	0	0	0	110.9	P464 T465 L473 L476 E477 L480 V489 D493 R499 I500	P464-F496 HydrophobicContact CG-CZ 4.44Å; T465-F496 HydrophobicContact CG2-CB 4.16Å; T465-F496 HydrophobicContact CG2-CD1 3.66Å; T465-F496 HydrophobicContact CG2-CD2 3.78Å; T465-F496 HydrophobicContact CG2-CE1 3.88Å; T465-F496 HydrophobicContact CG2-CE2 4.01Å; T465-F496 HydrophobicContact CG2-CG 3.6Å; T465-F496 HydrophobicContact CG2-CZ 4.04Å; L473-F496 HydrophobicContact CD1-CD2 3.6Å; L473-F496 HydrophobicContact CD1-CE2 4.12Å; L473-F496 HydrophobicContact CD1-CG 4.3Å; L473-F496 HydrophobicContact CG-CD2 4.31Å; L476-F496 HydrophobicContact CD2-CE2 4Å; L476-F496 HydrophobicContact CD2-CZ 4.2Å; L476-F496 HydrophobicContact CG-CE2 4.19Å; E477-F496 HydrophobicContact CG-CD2 3.38Å; E477-F496 HydrophobicContact CG-CE2 3.7Å; E477-F496 HydrophobicContact CG-CG 4.43Å; E477-F496 WeakPolarHBondContact OE1-CA 3.24Å; L480-F496 HydrophobicContact CD1-CE2 4.24Å; L480-F496 HydrophobicContact CD1-CZ 3.69Å; V489-F496 HydrophobicContact CB-CE1 4.43Å; V489-F496 HydrophobicContact CG1-CE1 3.64Å; V489-F496 HydrophobicContact CG1-CZ 4.16Å; D493-F496 HydrophobicContact CB-CB 3.74Å; D493-F496 VanDerWaalsContact CG-CB 3.45Å; D493-F496 PolarHBondContact O-N 3.23Å; D493-F496 WeakPolarHBondContact OD1-CB 3.45Å; D493-F496 PolarHBondContact OD1-N 3.27Å; F496-R499 PolarHBondContact O-N 2.94Å; F496-R499 VanDerWaalsContact O-N 3.16Å; F496-I500 HydrophobicContact CD1-CD1 4.04Å; F496-I500 HydrophobicContact CD1-CG1 4.33Å; F496-I500 HydrophobicContact CE1-CD1 3.29Å; F496-I500 HydrophobicContact CE1-CG1 4.05Å; F496-I500 HydrophobicContact CE2-CD1 4.14Å; F496-I500 HydrophobicContact CZ-CD1 3.36Å; F496-I500 HydrophobicContact CZ-CG1 4.33Å; F496-I500 WeakPolarHBondContact O-CG1 3.29Å; F496-I500 PolarHBondContact O-N 3.37Å
497	L	94.2	Very high	93.8	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.018	C	C	.	.	H	α-helix	trans	-63.1	-42.8	176.8	-69.4	-177.1	0	0	0	112.2	I348 S491 D493 R494 W495 R499 I500 A501 F520	I348-L497 HydrophobicContact CG2-CD1 3.2Å; S491-L497 WeakPolarHBondContact O-CD1 3.47Å; D493-L497 WeakPolarHBondContact O-CG 3.43Å; D493-L497 PolarHBondContact O-N 3.47Å; R494-L497 PolarHBondContact O-N 3.17Å; W495-L497 VanDerWaalsContact C-N 3.34Å; W495-L497 PolarHBondContact O-N 2.97Å; L497-R499 PolarHBondContact O-N 3.19Å; L497-I500 PolarHBondContact O-N 2.8Å; L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.37Å; L497-F520 HydrophobicContact CB-CB 4.02Å; L497-F520 HydrophobicContact CD1-CD2 4.47Å
498	D	92.2	Very high	93.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-57.4	-36.9	174.3	-97.6	-23.7	0	0	0	113	Y213 W268 K279 R494 W495 N519 F520 T521	Y213-D498 WeakPolarHBondContact CE2-OD2 3.45Å; Y213-D498 PolarHBondContact OH-OD2 2.74Å; W268-D498 HydrophobicContact CH2-CB 4.06Å; W268-D498 HydrophobicContact CZ2-CB 4Å; K279-D498 PolarHBondContact NZ-O 3.41Å; R494-D498 WeakPolarHBondContact O-CB 3.2Å; R494-D498 PolarHBondContact O-N 3.36Å; W495-D498 WeakPolarHBondContact O-CB 3.45Å; W495-D498 PolarHBondContact O-N 2.78Å; D498-N519 PolarHBondContact OD1-OD1 3.19Å; D498-F520 WeakPolarHBondContact OD1-CA 3.34Å; D498-F520 WeakPolarHBondContact OD1-CB 3.31Å; D498-F520 PolarHBondContact OD1-N 2.96Å; D498-F520 VanDerWaalsContact OD1-N 3.16Å; D498-T521 VanDerWaalsContact CG-OG1 3.27Å; D498-T521 WeakPolarHBondContact OD1-CB 3.06Å; D498-T521 PolarHBondContact OD1-N 3.2Å; D498-T521 PolarHBondContact OD1-OG1 2.85Å; D498-T521 PolarHBondContact OD2-OG1 3.42Å
499	R	90.2	Very high	92.8	Very high	7 Å²	7	8.2 Å²	8.2	3%	0.026	4%	0.04	C	C	.	.	H	α-helix	trans	-76.1	-40.6	-178.8	-173.8	163.9	167.9	-176	-1.5	112.5	E265 K279 E477 N478 L481 W495 F496 L497	E265-R499 IonicContact OE1-NH1 3.36Å; K279-R499 VanDerWaalsContact NZ-C 3.27Å; K279-R499 PolarHBondContact NZ-O 3.41Å; E477-R499 VanDerWaalsContact OE2-CD 3.31Å; E477-R499 WeakPolarHBondContact OE2-CD 3.37Å; E477-R499 IonicContact OE2-CZ 3.29Å; E477-R499 IonicContact OE2-NE 3.79Å; E477-R499 PolarHBondContact OE2-NE 3.49Å; E477-R499 IonicContact OE2-NH1 3.39Å; E477-R499 PolarHBondContact OE2-NH1 3.39Å; N478-R499 PolarHBondContact OD1-NH2 3.17Å; L481-R499 HydrophobicContact CD1-CG 4.25Å; W495-R499 WeakPolarHBondContact O-CB 3.47Å; W495-R499 PolarHBondContact O-N 3.3Å; F496-R499 PolarHBondContact O-N 2.94Å; F496-R499 VanDerWaalsContact O-N 3.16Å; L497-R499 PolarHBondContact O-N 3.19Å
500	I	93	Very high	92.2	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-104.5	-28.5	-171.4	72.6	164.2	0	0	0	115.2	I344 E477 L480 L481 V489 F496 L497	I344-I500 WeakPolarHBondContact CB-O 3.32Å; I344-I500 HydrophobicContact CD1-CB 4.41Å; I344-I500 HydrophobicContact CG2-CB 4.4Å; I344-I500 HydrophobicContact CG2-CD1 3.83Å; I344-I500 HydrophobicContact CG2-CG1 3.97Å; E477-I500 HydrophobicContact CB-CG2 4Å; E477-I500 HydrophobicContact CG-CG2 4.05Å; L480-I500 HydrophobicContact CD1-CD1 3.6Å; L481-I500 HydrophobicContact CG-CG2 4.27Å; V489-I500 HydrophobicContact CG2-CD1 4.14Å; F496-I500 HydrophobicContact CD1-CD1 4.04Å; F496-I500 HydrophobicContact CD1-CG1 4.33Å; F496-I500 HydrophobicContact CE1-CD1 3.29Å; F496-I500 HydrophobicContact CE1-CG1 4.05Å; F496-I500 HydrophobicContact CE2-CD1 4.14Å; F496-I500 HydrophobicContact CZ-CD1 3.36Å; F496-I500 HydrophobicContact CZ-CG1 4.33Å; F496-I500 WeakPolarHBondContact O-CG1 3.29Å; F496-I500 PolarHBondContact O-N 3.37Å; L497-I500 PolarHBondContact O-N 2.8Å
501	A	94.8	Very high	91.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.			trans	-73.5	139.8	-167.9	0	0	0	0	0	111.6	L497 I504	L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.37Å; A501-I504 HydrophobicContact CB-CD1 3.92Å
502	T	94.2	Very high	91.6	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.025	9%	0.087	C	C	.	.	S	Bend	trans	-106.1	-19	166.3	62.4	0	0	0	0	112	K279 R283 A343 I344 G518	K279-T502 HydrophobicContact CB-CG2 4.35Å; R283-T502 HydrophobicContact CB-CG2 4.29Å; A343-T502 WeakPolarHBondContact CA-OG1 3.32Å; I344-T502 PolarHBondContact N-OG1 3.36Å; I344-T502 PolarHBondContact O-N 3.1Å; I344-T502 PolarHBondContact O-OG1 3.2Å; T502-G518 CarbonylContact C-O 3.6Å; T502-G518 VanDerWaalsContact C-O 3.23Å; T502-G518 PolarHBondContact O-N 2.99Å
503	H	95.5	Very high	91.9	Very high	14 Å²	14	18.3 Å²	18.3	7%	0.065	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.8	174.5	-57.2	70.9	0	0	0	109.4	I344 V345 G346 F515 F516 G518	I344-H503 PolarHBondContact O-N 2.9Å; I344-H503 VanDerWaalsContact O-N 3.15Å; V345-H503 CarbonylContact C-O 3.59Å; V345-H503 WeakPolarHBondContact CA-O 3.45Å; V345-H503 HydrophobicContact CG1-CB 4.47Å; V345-H503 HydrophobicContact CG2-CB 4.25Å; G346-H503 PolarHBondContact N-O 3.46Å; H503-F515 HydrophobicContact CB-CE2 3.74Å; H503-F515 HydrophobicContact CB-CZ 3.77Å; H503-F515 AromaticContact CD2-CE1 3.64Å; H503-F515 AromaticContact CD2-CZ 3.35Å; H503-F515 WeakPolarHBondContact CD2-CZ 3.5Å; H503-F515 AromaticContact CG-CZ 3.68Å; H503-F516 CarbonylContact C-O 3.56Å; H503-F516 WeakPolarHBondContact CA-O 3.46Å; H503-F516 WeakPolarHBondContact CB-O 3.22Å; H503-G518 CarbonylContact C-O 3.52Å; H503-G518 VanDerWaalsContact CA-O 3.25Å; H503-G518 WeakPolarHBondContact CA-O 3.28Å; H503-G518 PolarHBondContact N-O 3.19Å
504	I	96.2	Very high	92	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.2	172	-62.4	-62.5	0	0	0	109.2	G346 I348 A501 D506 F515 F516 N519 F520 Y523	G346-I504 CarbonylContact O-C 3.57Å; G346-I504 WeakPolarHBondContact O-CA 2.98Å; I348-I504 HydrophobicContact CD1-CG2 3.69Å; I348-I504 HydrophobicContact CG1-CG2 3.82Å; A501-I504 HydrophobicContact CB-CD1 3.92Å; I504-D506 HydrophobicContact CG2-CB 4.4Å; I504-F515 WeakPolarHBondContact O-CA 3.14Å; I504-F516 PolarHBondContact N-O 2.88Å; I504-F516 PolarHBondContact O-N 3.26Å; I504-N519 WeakPolarHBondContact CG1-O 3.13Å; I504-F520 HydrophobicContact CD1-CB 4.28Å; I504-Y523 HydrophobicContact CB-CD1 4.48Å; I504-Y523 HydrophobicContact CB-CG 4.08Å; I504-Y523 HydrophobicContact CG1-CG 4.45Å; I504-Y523 HydrophobicContact CG2-CD1 3.75Å; I504-Y523 HydrophobicContact CG2-CD2 4.41Å; I504-Y523 HydrophobicContact CG2-CE1 4.25Å; I504-Y523 HydrophobicContact CG2-CG 3.84Å
505	L	97.1	Very high	92.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	103.9	168.1	-172	72.8	0	0	0	107.7	L335 F337 V345 G346 I347 I348 L358 M488 Y507 V513 E514 F515	L335-L505 HydrophobicContact CD1-CD1 4.16Å; F337-L505 HydrophobicContact CD1-CD1 4.41Å; F337-L505 HydrophobicContact CE1-CD1 4.38Å; F337-L505 HydrophobicContact CE1-CD2 4.5Å; F337-L505 HydrophobicContact CZ-CD2 4.39Å; V345-L505 HydrophobicContact CG1-CB 3.89Å; G346-L505 PolarHBondContact O-N 2.88Å; I347-L505 WeakPolarHBondContact CA-O 3.42Å; I347-L505 HydrophobicContact CD1-CD2 4.34Å; I347-L505 HydrophobicContact CG1-CB 4.21Å; I347-L505 HydrophobicContact CG1-CD2 4.27Å; I347-L505 HydrophobicContact CG2-CD2 4.47Å; I348-L505 PolarHBondContact N-O 3.4Å; L358-L505 HydrophobicContact CD2-CD2 3.57Å; M488-L505 HydrophobicContact CE-CD2 4.43Å; L505-Y507 HydrophobicContact CD2-CE2 4Å; L505-Y507 HydrophobicContact CG-CE2 4.3Å; L505-V513 HydrophobicContact CD1-CG1 3.51Å; L505-V513 HydrophobicContact CD2-CG1 4.28Å; L505-V513 HydrophobicContact CG-CG1 3.63Å; L505-E514 CarbonylContact C-O 3.59Å; L505-E514 VanDerWaalsContact CA-O 3.31Å; L505-E514 WeakPolarHBondContact CA-O 3.38Å; L505-F515 HydrophobicContact CB-CD2 4.37Å; L505-F515 HydrophobicContact CD1-CB 3.93Å; L505-F515 HydrophobicContact CD1-CD2 3.85Å; L505-F515 HydrophobicContact CD1-CG 4.37Å
506	D	95	Very high	92.3	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.4	-176.4	-177.4	25.2	0	0	0	111.3	I348 I504 Q508 V513 E514 Y523 K527	I348-D506 HydrophobicContact CD1-CB 4.08Å; I348-D506 HydrophobicContact CG1-CB 3.83Å; I348-D506 WeakPolarHBondContact CG1-OD1 3.36Å; I504-D506 HydrophobicContact CG2-CB 4.4Å; D506-Q508 PolarHBondContact O-N 3.49Å; D506-V513 WeakPolarHBondContact O-CA 3.28Å; D506-E514 PolarHBondContact N-O 3.45Å; D506-E514 PolarHBondContact O-N 2.8Å; D506-Y523 HydrophobicContact CB-CD1 4.48Å; D506-Y523 HydrophobicContact CB-CE1 3.47Å; D506-Y523 VanDerWaalsContact CB-CE1 3.47Å; D506-Y523 HydrophobicContact CB-CE2 4.31Å; D506-Y523 WeakPolarHBondContact CB-OH 3.23Å; D506-Y523 WeakPolarHBondContact OD2-CE1 3.47Å; D506-Y523 VanDerWaalsContact OD2-CZ 3.24Å; D506-Y523 PolarHBondContact OD2-OH 3.44Å; D506-K527 IonicContact OD2-NZ 3.18Å; D506-K527 PolarHBondContact OD2-NZ 3.24Å
507	Y	93.2	Very high	92.3	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.5	170.2	-78.2	-109.8	0	0	0	109.7	I332 I347 I348 G349 P350 A353 K355 L358 L505 V513	I332-Y507 HydrophobicContact CD1-CE1 4.07Å; I332-Y507 HydrophobicContact CG1-CE1 3.89Å; I347-Y507 HydrophobicContact CG2-CD2 3.86Å; I347-Y507 HydrophobicContact CG2-CE2 3.67Å; I348-Y507 PolarHBondContact O-N 3.48Å; G349-Y507 WeakPolarHBondContact CA-O 3.29Å; P350-Y507 WeakPolarHBondContact CD-O 3.43Å; A353-Y507 HydrophobicContact CB-CD1 3.93Å; A353-Y507 HydrophobicContact CB-CG 4.18Å; A353-Y507 WeakPolarHBondContact O-CD1 3.49Å; A353-Y507 WeakPolarHBondContact O-CE1 3.37Å; K355-Y507 HydrophobicContact CG-CD1 4.46Å; K355-Y507 HydrophobicContact CG-CD2 3.76Å; K355-Y507 HydrophobicContact CG-CE2 3.96Å; K355-Y507 HydrophobicContact CG-CG 4.03Å; L358-Y507 WeakPolarHBondContact CB-OH 3.5Å; L358-Y507 WeakPolarHBondContact CD2-OH 3.36Å; L505-Y507 HydrophobicContact CD2-CE2 4Å; L505-Y507 HydrophobicContact CG-CE2 4.3Å; Y507-V513 HydrophobicContact CD1-CG2 3.63Å; Y507-V513 HydrophobicContact CD2-CG1 3.97Å; Y507-V513 HydrophobicContact CD2-CG2 4.41Å; Y507-V513 HydrophobicContact CE1-CG2 3.74Å; Y507-V513 HydrophobicContact CE2-CG1 3.96Å; Y507-V513 HydrophobicContact CE2-CG2 4.47Å; Y507-V513 HydrophobicContact CG-CG1 4.31Å; Y507-V513 HydrophobicContact CG-CG2 4Å
508	Q	88.4	Confident	92.2	Very high	36 Å²	36	29.3 Å²	29.3	17%	0.168	14%	0.141	C	C	.	.			trans	-99.6	-176.8	178.5	-59.5	176.3	18.8	0	0	110.3	D506 K512 Y523	D506-Q508 PolarHBondContact O-N 3.49Å; Q508-K512 WeakPolarHBondContact CA-O 3.31Å; Q508-K512 HydrophobicContact CB-CB 4.31Å; Q508-K512 WeakPolarHBondContact CB-O 3.44Å; Q508-K512 PolarHBondContact N-O 3.05Å; Q508-Y523 PolarHBondContact NE2-OH 3.32Å
509	D	83.1	Confident	92.1	Very high	56 Å²	56	29.4 Å²	29.4	30%	0.299	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-64.8	161.7	174.8	-72.6	-42.7	0	0	0	112.3	G511 K512 K542	D509-G511 PolarHBondContact O-N 3.49Å; D509-G511 VanDerWaalsContact O-N 3.1Å; D509-K512 PolarHBondContact O-N 3.09Å; D509-K542 PolarHBondContact OD1-N 2.87Å
510	E	82.7	Confident	92.2	Very high	110 Å²	110	29.3 Å²	29.3	51%	0.514	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	60	22.3	173.6	-58.3	-174	176.8	0	0	115	K512 K542 K544	E510-K512 VanDerWaalsContact C-N 3.27Å; E510-K542 WeakPolarHBondContact CA-O 3.36Å; E510-K542 PolarHBondContact N-O 3.01Å; E510-K544 HydrophobicContact CB-CB 4.21Å
511	G	85	Confident	92.1	Very high	7 Å²	7	30.8 Å²	30.8	7%	0.072	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	79.9	7	178.2	0	0	0	0	0	113.9	L331 I332 D333 D509	L331-G511 WeakPolarHBondContact O-CA 3.5Å; I332-G511 CarbonylContact C-O 3.35Å; I332-G511 WeakPolarHBondContact CA-O 3.31Å; D333-G511 PolarHBondContact N-O 3.5Å; D509-G511 PolarHBondContact O-N 3.49Å; D509-G511 VanDerWaalsContact O-N 3.1Å
512	K	90.9	Very high	91.9	Very high	93 Å²	93	32.3 Å²	32.3	40%	0.404	16%	0.157	S	C	.	.			trans	-71.6	130	175.1	-174.6	-177.9	175.5	-155.1	0	109.5	Q508 D509 E510 E514	Q508-K512 WeakPolarHBondContact CA-O 3.31Å; Q508-K512 HydrophobicContact CB-CB 4.31Å; Q508-K512 WeakPolarHBondContact CB-O 3.44Å; Q508-K512 PolarHBondContact N-O 3.05Å; D509-K512 PolarHBondContact O-N 3.09Å; E510-K512 VanDerWaalsContact C-N 3.27Å; K512-E514 WeakPolarHBondContact CE-OE2 3.29Å; K512-E514 IonicContact NZ-OE2 2.84Å; K512-E514 PolarHBondContact NZ-OE2 3.09Å
513	V	94.7	Very high	91.9	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.097	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.8	175.3	-173	0	0	0	0	108.9	I332 L335 L505 D506 Y507	I332-V513 HydrophobicContact CG1-CG2 4.38Å; I332-V513 HydrophobicContact CG2-CG2 4.32Å; L335-V513 HydrophobicContact CD1-CB 4.01Å; L335-V513 HydrophobicContact CD1-CG1 4.07Å; L335-V513 HydrophobicContact CD2-CB 4.08Å; L335-V513 HydrophobicContact CD2-CG1 3.97Å; L335-V513 HydrophobicContact CD2-CG2 4.45Å; L335-V513 HydrophobicContact CG-CB 4.46Å; L505-V513 HydrophobicContact CD1-CG1 3.51Å; L505-V513 HydrophobicContact CD2-CG1 4.28Å; L505-V513 HydrophobicContact CG-CG1 3.63Å; D506-V513 WeakPolarHBondContact O-CA 3.28Å; Y507-V513 HydrophobicContact CD1-CG2 3.63Å; Y507-V513 HydrophobicContact CD2-CG1 3.97Å; Y507-V513 HydrophobicContact CD2-CG2 4.41Å; Y507-V513 HydrophobicContact CE1-CG2 3.74Å; Y507-V513 HydrophobicContact CE2-CG1 3.96Å; Y507-V513 HydrophobicContact CE2-CG2 4.47Å; Y507-V513 HydrophobicContact CG-CG1 4.31Å; Y507-V513 HydrophobicContact CG-CG2 4Å
514	E	94.5	Very high	91.6	Very high	48 Å²	48	34.1 Å²	34.1	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.1	-177.6	-169.3	74.2	-143	0	0	110	L505 D506 K512 Y523	L505-E514 CarbonylContact C-O 3.59Å; L505-E514 VanDerWaalsContact CA-O 3.31Å; L505-E514 WeakPolarHBondContact CA-O 3.38Å; D506-E514 PolarHBondContact N-O 3.45Å; D506-E514 PolarHBondContact O-N 2.8Å; K512-E514 WeakPolarHBondContact CE-OE2 3.29Å; K512-E514 IonicContact NZ-OE2 2.84Å; K512-E514 PolarHBondContact NZ-OE2 3.09Å; E514-Y523 HydrophobicContact CG-CE2 4.27Å
515	F	95.7	Very high	91.2	Very high	51 Å²	51	38.5 Å²	38.5	22%	0.224	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.6	174.2	-175.6	-107.9	0	0	0	110.2	F337 V345 H503 I504 L505	F337-F515 HydrophobicContact CB-CB 3.93Å; F337-F515 HydrophobicContact CB-CD1 3.7Å; F337-F515 HydrophobicContact CB-CD2 4.23Å; F337-F515 HydrophobicContact CB-CE1 4.22Å; F337-F515 HydrophobicContact CB-CG 3.69Å; F337-F515 AromaticContact CD2-CD2 3.97Å; F337-F515 HydrophobicContact CD2-CD2 3.97Å; F337-F515 HydrophobicContact CD2-CE1 4.5Å; F337-F515 AromaticContact CD2-CE2 3.89Å; F337-F515 HydrophobicContact CD2-CE2 3.89Å; F337-F515 HydrophobicContact CD2-CG 4.29Å; F337-F515 HydrophobicContact CD2-CZ 4.16Å; F337-F515 HydrophobicContact CE2-CE2 4.44Å; F337-F515 HydrophobicContact CG-CB 4.45Å; F337-F515 HydrophobicContact CG-CD1 4.47Å; F337-F515 HydrophobicContact CG-CD2 4.17Å; F337-F515 HydrophobicContact CG-CG 4.12Å; V345-F515 HydrophobicContact CG1-CE2 3.98Å; V345-F515 HydrophobicContact CG2-CE2 4.17Å; H503-F515 HydrophobicContact CB-CE2 3.74Å; H503-F515 HydrophobicContact CB-CZ 3.77Å; H503-F515 AromaticContact CD2-CE1 3.64Å; H503-F515 AromaticContact CD2-CZ 3.35Å; H503-F515 WeakPolarHBondContact CD2-CZ 3.5Å; H503-F515 AromaticContact CG-CZ 3.68Å; I504-F515 WeakPolarHBondContact O-CA 3.14Å; L505-F515 HydrophobicContact CB-CD2 4.37Å; L505-F515 HydrophobicContact CD1-CB 3.93Å; L505-F515 HydrophobicContact CD1-CD2 3.85Å; L505-F515 HydrophobicContact CD1-CG 4.37Å
516	F	94.7	Very high	91	Very high	38 Å²	38	41.4 Å²	41.4	17%	0.167	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.2	-172.5	177.1	-98.6	0	0	0	111.4	H503 I504 G518 E522 Y523 Y526	H503-F516 CarbonylContact C-O 3.56Å; H503-F516 WeakPolarHBondContact CA-O 3.46Å; H503-F516 WeakPolarHBondContact CB-O 3.22Å; I504-F516 PolarHBondContact N-O 2.88Å; I504-F516 PolarHBondContact O-N 3.26Å; F516-G518 PolarHBondContact O-N 2.9Å; F516-E522 HydrophobicContact CE1-CB 3.82Å; F516-E522 HydrophobicContact CZ-CB 4.18Å; F516-Y523 HydrophobicContact CB-CD2 3.54Å; F516-Y523 HydrophobicContact CB-CE2 4.05Å; F516-Y523 HydrophobicContact CB-CG 4.49Å; F516-Y523 AromaticContact CD1-CD2 3.81Å; F516-Y523 HydrophobicContact CD1-CD2 3.81Å; F516-Y523 HydrophobicContact CD1-CG 4.21Å; F516-Y523 HydrophobicContact CD2-CD2 4.15Å; F516-Y523 AromaticContact CG-CD2 3.58Å; F516-Y523 HydrophobicContact CG-CD2 3.58Å; F516-Y523 HydrophobicContact CG-CE2 4.43Å; F516-Y523 HydrophobicContact CG-CG 4.42Å; F516-Y526 AromaticContact CD2-CD1 3.96Å; F516-Y526 HydrophobicContact CD2-CD1 3.96Å; F516-Y526 HydrophobicContact CD2-CD2 4.33Å; F516-Y526 HydrophobicContact CD2-CE1 4.41Å; F516-Y526 AromaticContact CD2-CG 3.93Å; F516-Y526 HydrophobicContact CD2-CG 3.93Å; F516-Y526 HydrophobicContact CE2-CD1 4.11Å; F516-Y526 AromaticContact CE2-CD2 3.88Å; F516-Y526 HydrophobicContact CE2-CD2 3.88Å; F516-Y526 AromaticContact CE2-CG 3.6Å; F516-Y526 HydrophobicContact CE2-CG 3.6Å; F516-Y526 HydrophobicContact CZ-CG 4.4Å
517	E	92.7	Very high	90.7	Very high	120 Å²	120	42 Å²	42	56%	0.561	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.6	171.3	-174.6	-175.3	170.5	0	0	109.8
518	G	91.7	Very high	90.5	Very high	6 Å²	6	47.5 Å²	47.5	6%	0.062	22%	0.223	C	C	.	.	S	Bend	trans	155	178.8	179.5	0	0	0	0	0	112.1	T502 H503 F516 E522	T502-G518 CarbonylContact C-O 3.6Å; T502-G518 VanDerWaalsContact C-O 3.23Å; T502-G518 PolarHBondContact O-N 2.99Å; H503-G518 CarbonylContact C-O 3.52Å; H503-G518 VanDerWaalsContact CA-O 3.25Å; H503-G518 WeakPolarHBondContact CA-O 3.28Å; H503-G518 PolarHBondContact N-O 3.19Å; F516-G518 PolarHBondContact O-N 2.9Å; G518-E522 WeakPolarHBondContact CA-OE2 3.36Å
519	N	91.9	Very high	90.5	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	25%	0.249	C	C	.	.			trans	-85.4	-175.3	173	71.1	16.6	0	0	0	111.8	D498 I504 T521 E522 Y523	D498-N519 PolarHBondContact OD1-OD1 3.19Å; I504-N519 WeakPolarHBondContact CG1-O 3.13Å; N519-T521 PolarHBondContact OD1-N 2.95Å; N519-E522 PolarHBondContact N-OE2 2.81Å; N519-E522 WeakPolarHBondContact OD1-CB 3.49Å; N519-E522 VanDerWaalsContact OD1-CG 3.31Å; N519-E522 WeakPolarHBondContact OD1-CG 3.31Å; N519-E522 PolarHBondContact OD1-N 3.22Å; N519-Y523 WeakPolarHBondContact O-CB 3.44Å; N519-Y523 PolarHBondContact O-N 3.47Å
520	F	92.1	Very high	90.8	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-46.6	-175.9	176.1	-94.3	0	0	0	112.5	A188 I348 R494 L497 D498 I504 Y523 E524	A188-F520 HydrophobicContact CB-CE2 4.12Å; A188-F520 HydrophobicContact CB-CZ 4.07Å; I348-F520 HydrophobicContact CD1-CD2 4.04Å; I348-F520 HydrophobicContact CD1-CE2 3.86Å; I348-F520 HydrophobicContact CG2-CD2 4.38Å; R494-F520 HydrophobicContact CB-CD1 3.93Å; R494-F520 HydrophobicContact CB-CE1 3.78Å; R494-F520 HydrophobicContact CB-CZ 4.3Å; R494-F520 HydrophobicContact CG-CD1 4.15Å; R494-F520 HydrophobicContact CG-CE1 3.53Å; R494-F520 HydrophobicContact CG-CE2 4.25Å; R494-F520 HydrophobicContact CG-CZ 3.6Å; L497-F520 HydrophobicContact CB-CB 4.02Å; L497-F520 HydrophobicContact CD1-CD2 4.47Å; D498-F520 WeakPolarHBondContact OD1-CA 3.34Å; D498-F520 WeakPolarHBondContact OD1-CB 3.31Å; D498-F520 PolarHBondContact OD1-N 2.96Å; D498-F520 VanDerWaalsContact OD1-N 3.16Å; I504-F520 HydrophobicContact CD1-CB 4.28Å; F520-Y523 WeakPolarHBondContact O-CB 3.47Å; F520-Y523 PolarHBondContact O-N 3.5Å; F520-Y523 VanDerWaalsContact O-N 3.17Å; F520-E524 HydrophobicContact CD1-CG 4.27Å; F520-E524 HydrophobicContact CE1-CG 3.65Å; F520-E524 VanDerWaalsContact CE1-OE2 3.24Å; F520-E524 WeakPolarHBondContact CE1-OE2 3.45Å; F520-E524 HydrophobicContact CE2-CG 4.16Å; F520-E524 HydrophobicContact CZ-CG 3.58Å; F520-E524 WeakPolarHBondContact CZ-OE1 3.35Å; F520-E524 PolarHBondContact O-N 3.28Å
521	T	90.2	Very high	90.9	Very high	32 Å²	32	54.3 Å²	54.3	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-46.2	178.4	-68.4	0	0	0	0	111.4	D498 N519 Y523 E524 E525	D498-T521 VanDerWaalsContact CG-OG1 3.27Å; D498-T521 WeakPolarHBondContact OD1-CB 3.06Å; D498-T521 PolarHBondContact OD1-N 3.2Å; D498-T521 PolarHBondContact OD1-OG1 2.85Å; D498-T521 PolarHBondContact OD2-OG1 3.42Å; N519-T521 PolarHBondContact OD1-N 2.95Å; T521-Y523 PolarHBondContact O-N 3.24Å; T521-E524 PolarHBondContact O-N 3.44Å; T521-E525 WeakPolarHBondContact O-CG 3.41Å; T521-E525 PolarHBondContact O-N 2.98Å
522	E	91.3	Very high	90.8	Very high	32 Å²	32	55.5 Å²	55.5	15%	0.15	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-39	176.1	-72.8	173.9	137.4	0	0	111	Q277 S278 F516 G518 N519 Y526	Q277-E522 WeakPolarHBondContact CA-OE1 3.35Å; Q277-E522 WeakPolarHBondContact CB-OE1 3.47Å; Q277-E522 HydrophobicContact CG-CG 4.23Å; Q277-E522 VanDerWaalsContact CG-OE1 3.31Å; Q277-E522 WeakPolarHBondContact CG-OE1 3.44Å; S278-E522 PolarHBondContact N-OE1 2.91Å; F516-E522 HydrophobicContact CE1-CB 3.82Å; F516-E522 HydrophobicContact CZ-CB 4.18Å; G518-E522 WeakPolarHBondContact CA-OE2 3.36Å; N519-E522 PolarHBondContact N-OE2 2.81Å; N519-E522 WeakPolarHBondContact OD1-CB 3.49Å; N519-E522 VanDerWaalsContact OD1-CG 3.31Å; N519-E522 WeakPolarHBondContact OD1-CG 3.31Å; N519-E522 PolarHBondContact OD1-N 3.22Å; E522-Y526 WeakPolarHBondContact O-CB 3.49Å; E522-Y526 PolarHBondContact O-N 3.36Å
523	Y	92.5	Very high	90.3	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-44.3	176.2	179.1	-108	0	0	0	112.7	I348 I504 D506 Q508 E514 F516 N519 F520 T521 E525 Y526 K527	I348-Y523 HydrophobicContact CD1-CD1 3.86Å; I348-Y523 HydrophobicContact CD1-CE1 3.87Å; I504-Y523 HydrophobicContact CB-CD1 4.48Å; I504-Y523 HydrophobicContact CB-CG 4.08Å; I504-Y523 HydrophobicContact CG1-CG 4.45Å; I504-Y523 HydrophobicContact CG2-CD1 3.75Å; I504-Y523 HydrophobicContact CG2-CD2 4.41Å; I504-Y523 HydrophobicContact CG2-CE1 4.25Å; I504-Y523 HydrophobicContact CG2-CG 3.84Å; D506-Y523 HydrophobicContact CB-CD1 4.48Å; D506-Y523 HydrophobicContact CB-CE1 3.47Å; D506-Y523 VanDerWaalsContact CB-CE1 3.47Å; D506-Y523 HydrophobicContact CB-CE2 4.31Å; D506-Y523 WeakPolarHBondContact CB-OH 3.23Å; D506-Y523 WeakPolarHBondContact OD2-CE1 3.47Å; D506-Y523 VanDerWaalsContact OD2-CZ 3.24Å; D506-Y523 PolarHBondContact OD2-OH 3.44Å; Q508-Y523 PolarHBondContact NE2-OH 3.32Å; E514-Y523 HydrophobicContact CG-CE2 4.27Å; F516-Y523 HydrophobicContact CB-CD2 3.54Å; F516-Y523 HydrophobicContact CB-CE2 4.05Å; F516-Y523 HydrophobicContact CB-CG 4.49Å; F516-Y523 AromaticContact CD1-CD2 3.81Å; F516-Y523 HydrophobicContact CD1-CD2 3.81Å; F516-Y523 HydrophobicContact CD1-CG 4.21Å; F516-Y523 HydrophobicContact CD2-CD2 4.15Å; F516-Y523 AromaticContact CG-CD2 3.58Å; F516-Y523 HydrophobicContact CG-CD2 3.58Å; F516-Y523 HydrophobicContact CG-CE2 4.43Å; F516-Y523 HydrophobicContact CG-CG 4.42Å; N519-Y523 WeakPolarHBondContact O-CB 3.44Å; N519-Y523 PolarHBondContact O-N 3.47Å; F520-Y523 WeakPolarHBondContact O-CB 3.47Å; F520-Y523 PolarHBondContact O-N 3.5Å; F520-Y523 VanDerWaalsContact O-N 3.17Å; T521-Y523 PolarHBondContact O-N 3.24Å; Y523-E525 VanDerWaalsContact C-N 3.32Å; Y523-E525 PolarHBondContact O-N 3.04Å; Y523-Y526 HydrophobicContact CD2-CD1 4.09Å; Y523-Y526 AromaticContact CE2-CD1 3.99Å; Y523-Y526 HydrophobicContact CE2-CD1 3.99Å; Y523-Y526 HydrophobicContact CE2-CE1 4.41Å; Y523-Y526 CarbonylContact O-C 3.45Å; Y523-Y526 WeakPolarHBondContact O-CB 3.34Å; Y523-Y526 PolarHBondContact O-N 3.02Å; Y523-Y526 VanDerWaalsContact O-N 3.17Å; Y523-K527 HydrophobicContact CE1-CB 4.43Å; Y523-K527 HydrophobicContact CE1-CD 3.98Å; Y523-K527 WeakPolarHBondContact O-CB 3.43Å; Y523-K527 PolarHBondContact O-N 2.81Å
524	E	89.1	Confident	89.4	Confident	54 Å²	54	58 Å²	58	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.2	-78.8	-157.4	125.8	0	0	111.8	F520 T521 K527 K528 L536	F520-E524 HydrophobicContact CD1-CG 4.27Å; F520-E524 HydrophobicContact CE1-CG 3.65Å; F520-E524 VanDerWaalsContact CE1-OE2 3.24Å; F520-E524 WeakPolarHBondContact CE1-OE2 3.45Å; F520-E524 HydrophobicContact CE2-CG 4.16Å; F520-E524 HydrophobicContact CZ-CG 3.58Å; F520-E524 WeakPolarHBondContact CZ-OE1 3.35Å; F520-E524 PolarHBondContact O-N 3.28Å; T521-E524 PolarHBondContact O-N 3.44Å; E524-K527 PolarHBondContact O-N 3.21Å; E524-K528 VanDerWaalsContact O-CB 3.29Å; E524-K528 WeakPolarHBondContact O-CB 3.48Å; E524-K528 PolarHBondContact O-N 3.25Å; E524-L536 HydrophobicContact CG-CD2 4.42Å
525	E	89.8	Confident	88.4	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-42.5	174.1	-72.4	-178.7	175.6	0	0	111.8	T521 Y523 R529	T521-E525 WeakPolarHBondContact O-CG 3.41Å; T521-E525 PolarHBondContact O-N 2.98Å; Y523-E525 VanDerWaalsContact C-N 3.32Å; Y523-E525 PolarHBondContact O-N 3.04Å; E525-R529 WeakPolarHBondContact O-CB 3.49Å; E525-R529 PolarHBondContact O-N 3.42Å
526	Y	91.6	Very high	87.2	Confident	61 Å²	61	55.8 Å²	55.8	24%	0.239	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-48.1	174.1	167.7	-94.8	0	0	0	111.8	F516 E522 Y523 R529 T530	F516-Y526 AromaticContact CD2-CD1 3.96Å; F516-Y526 HydrophobicContact CD2-CD1 3.96Å; F516-Y526 HydrophobicContact CD2-CD2 4.33Å; F516-Y526 HydrophobicContact CD2-CE1 4.41Å; F516-Y526 AromaticContact CD2-CG 3.93Å; F516-Y526 HydrophobicContact CD2-CG 3.93Å; F516-Y526 HydrophobicContact CE2-CD1 4.11Å; F516-Y526 AromaticContact CE2-CD2 3.88Å; F516-Y526 HydrophobicContact CE2-CD2 3.88Å; F516-Y526 AromaticContact CE2-CG 3.6Å; F516-Y526 HydrophobicContact CE2-CG 3.6Å; F516-Y526 HydrophobicContact CZ-CG 4.4Å; E522-Y526 WeakPolarHBondContact O-CB 3.49Å; E522-Y526 PolarHBondContact O-N 3.36Å; Y523-Y526 HydrophobicContact CD2-CD1 4.09Å; Y523-Y526 AromaticContact CE2-CD1 3.99Å; Y523-Y526 HydrophobicContact CE2-CD1 3.99Å; Y523-Y526 HydrophobicContact CE2-CE1 4.41Å; Y523-Y526 CarbonylContact O-C 3.45Å; Y523-Y526 WeakPolarHBondContact O-CB 3.34Å; Y523-Y526 PolarHBondContact O-N 3.02Å; Y523-Y526 VanDerWaalsContact O-N 3.17Å; Y526-R529 PolarHBondContact O-N 3.46Å; Y526-T530 WeakPolarHBondContact O-CB 3.22Å; Y526-T530 PolarHBondContact O-N 2.92Å; Y526-T530 PolarHBondContact O-OG1 3.24Å
527	K	89.5	Confident	86.1	Confident	16 Å²	16	58.9 Å²	58.9	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-47.4	179.7	-170.7	176.2	177.5	-176.7	0	110.4	E189 D506 Y523 E524 R529 T530 L531 A535 L536	E189-K527 IonicContact OE1-NZ 3.27Å; E189-K527 PolarHBondContact OE1-NZ 2.74Å; D506-K527 IonicContact OD2-NZ 3.18Å; D506-K527 PolarHBondContact OD2-NZ 3.24Å; Y523-K527 HydrophobicContact CE1-CB 4.43Å; Y523-K527 HydrophobicContact CE1-CD 3.98Å; Y523-K527 WeakPolarHBondContact O-CB 3.43Å; Y523-K527 PolarHBondContact O-N 2.81Å; E524-K527 PolarHBondContact O-N 3.21Å; K527-R529 PolarHBondContact O-N 3.45Å; K527-T530 PolarHBondContact O-N 3.11Å; K527-L531 HydrophobicContact CG-CD1 4.04Å; K527-L531 WeakPolarHBondContact O-CB 3.47Å; K527-L531 PolarHBondContact O-N 3.49Å; K527-A535 WeakPolarHBondContact CE-O 3.38Å; K527-A535 HydrophobicContact CG-CB 4.47Å; K527-A535 PolarHBondContact NZ-O 3.43Å; K527-L536 HydrophobicContact CB-CD2 4.48Å; K527-L536 HydrophobicContact CD-CD2 4.02Å; K527-L536 HydrophobicContact CG-CD2 4.35Å
528	K	87.8	Confident	84.9	Confident	118 Å²	118	53.9 Å²	53.9	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-41.9	176.3	-171.8	174.6	-178.2	175.5	0	112.8	E524 T530 G532 L536	E524-K528 VanDerWaalsContact O-CB 3.29Å; E524-K528 WeakPolarHBondContact O-CB 3.48Å; E524-K528 PolarHBondContact O-N 3.25Å; K528-T530 VanDerWaalsContact C-N 3.34Å; K528-G532 CarbonylContact O-C 3.6Å; K528-G532 WeakPolarHBondContact O-CA 3.33Å; K528-G532 PolarHBondContact O-N 3.18Å; K528-L536 HydrophobicContact CB-CD1 4.1Å; K528-L536 HydrophobicContact CD-CD1 4.19Å; K528-L536 HydrophobicContact CG-CD1 4.31Å
529	R	90	Very high	83.7	Confident	187 Å²	187	57.8 Å²	57.8	71%	0.706	29%	0.293	S	S	*	.	H	α-helix	trans	-68.6	-33.5	178.4	-178	174.7	63.3	-122.7	0.3	112.6	E525 Y526 K527	E525-R529 WeakPolarHBondContact O-CB 3.49Å; E525-R529 PolarHBondContact O-N 3.42Å; Y526-R529 PolarHBondContact O-N 3.46Å; K527-R529 PolarHBondContact O-N 3.45Å
530	T	88.7	Confident	82.4	Confident	74 Å²	74	60.2 Å²	60.2	45%	0.454	30%	0.302	S	S	.	.	H	α-helix	trans	-93.5	-38.6	-170.1	-50.8	0	0	0	0	112.4	Y526 K527 K528	Y526-T530 WeakPolarHBondContact O-CB 3.22Å; Y526-T530 PolarHBondContact O-N 2.92Å; Y526-T530 PolarHBondContact O-OG1 3.24Å; K527-T530 PolarHBondContact O-N 3.11Å; K528-T530 VanDerWaalsContact C-N 3.34Å
531	L	84.7	Confident	81	Confident	85 Å²	85	62 Å²	62	45%	0.445	31%	0.311	S	S	.	.	H	α-helix	trans	-111.2	-8.1	-175.2	-56.8	-179.9	0	0	0	113.3	K527 A535	K527-L531 HydrophobicContact CG-CD1 4.04Å; K527-L531 WeakPolarHBondContact O-CB 3.47Å; K527-L531 PolarHBondContact O-N 3.49Å; L531-A535 HydrophobicContact CB-CB 3.45Å; L531-A535 VanDerWaalsContact CB-CB 3.45Å; L531-A535 HydrophobicContact CD1-CB 4.15Å; L531-A535 HydrophobicContact CG-CB 4.46Å
532	G	83.8	Confident	79.7	Confident	31 Å²	31	66.8 Å²	66.8	32%	0.32	33%	0.329	S	S	.	.			trans	89.3	173.8	-174.9	0	0	0	0	0	113.4	K528 A535	K528-G532 CarbonylContact O-C 3.6Å; K528-G532 WeakPolarHBondContact O-CA 3.33Å; K528-G532 PolarHBondContact O-N 3.18Å; G532-A535 WeakPolarHBondContact O-CB 3.44Å; G532-A535 PolarHBondContact O-N 2.98Å
533	A	78.7	Confident	78.3	Confident	55 Å²	55	68.1 Å²	68.1	46%	0.455	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67.9	-34.7	-177.8	0	0	0	0	0	112.8	A535 L536	A533-A535 PolarHBondContact O-N 3.4Å; A533-A535 VanDerWaalsContact O-N 3.08Å; A533-L536 WeakPolarHBondContact O-CB 3.18Å; A533-L536 PolarHBondContact O-N 2.99Å
534	D	75.6	Confident	77.1	Confident	108 Å²	108	72.5 Å²	72.5	58%	0.578	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-63.7	-14.8	-179.7	-56	-0.4	0	0	0	113.6	L536 E537 K539	D534-L536 VanDerWaalsContact C-N 3.25Å; D534-E537 PolarHBondContact O-N 3.24Å; D534-K539 PolarHBondContact O-NZ 3.28Å
535	A	73.5	Confident	76.2	Confident	24 Å²	24	80.6 Å²	80.6	20%	0.198	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-77.1	-12.3	174.7	0	0	0	0	0	113.1	K527 L531 G532 A533	K527-A535 WeakPolarHBondContact CE-O 3.38Å; K527-A535 HydrophobicContact CG-CB 4.47Å; K527-A535 PolarHBondContact NZ-O 3.43Å; L531-A535 HydrophobicContact CB-CB 3.45Å; L531-A535 VanDerWaalsContact CB-CB 3.45Å; L531-A535 HydrophobicContact CD1-CB 4.15Å; L531-A535 HydrophobicContact CG-CB 4.46Å; G532-A535 WeakPolarHBondContact O-CB 3.44Å; G532-A535 PolarHBondContact O-N 2.98Å; A533-A535 PolarHBondContact O-N 3.4Å; A533-A535 VanDerWaalsContact O-N 3.08Å
536	L	72.1	Confident	75	Confident	27 Å²	27	79.1 Å²	79.1	14%	0.141	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-94.4	-2.2	173.3	-58.7	178.2	0	0	0	112.2	E524 K527 K528 A533 D534	E524-L536 HydrophobicContact CG-CD2 4.42Å; K527-L536 HydrophobicContact CB-CD2 4.48Å; K527-L536 HydrophobicContact CD-CD2 4.02Å; K527-L536 HydrophobicContact CG-CD2 4.35Å; K528-L536 HydrophobicContact CB-CD1 4.1Å; K528-L536 HydrophobicContact CD-CD1 4.19Å; K528-L536 HydrophobicContact CG-CD1 4.31Å; A533-L536 WeakPolarHBondContact O-CB 3.18Å; A533-L536 PolarHBondContact O-N 2.99Å; D534-L536 VanDerWaalsContact C-N 3.25Å
537	E	72	Confident	73.8	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	40%	0.401	S	S	.	.	S	Bend	trans	-86.6	128	177.4	-65.6	-165.5	158.7	0	0	110.9	D534 K539	D534-E537 PolarHBondContact O-N 3.24Å; E537-K539 PolarHBondContact O-N 3.14Å
538	P	66.8	Low	71.9	Confident	14 Å²	14	92.3 Å²	92.3	9%	0.091	45%	0.452	C	S	.	.			trans	-62.5	134.2	177.9	22.9	-31.1	0	0	0	111.5	A143 E189 W193	A143-P538 HydrophobicContact CB-CG 4.31Å; E189-P538 HydrophobicContact CB-CB 3.9Å; E189-P538 HydrophobicContact CB-CG 4.36Å; W193-P538 HydrophobicContact CB-CG 4.04Å
539	K	66.6	Low	71.1	Confident	89 Å²	89	91.1 Å²	91.1	39%	0.387	45%	0.449	S	S	.	.			trans	-133.9	156.2	175.8	-66.2	172	-172.9	162.8	0	109.6	R145 D534 E537 I541	R145-K539 PolarHBondContact NE-O 3.35Å; R145-K539 PolarHBondContact NH1-O 2.88Å; D534-K539 PolarHBondContact O-NZ 3.28Å; E537-K539 PolarHBondContact O-N 3.14Å; K539-I541 PolarHBondContact O-N 3.04Å
540	R	64.8	Low	70.1	Confident	53 Å²	53	86 Å²	86	20%	0.2	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.9	169.8	-68.5	-177.7	-155.4	-153.4	5.5	110.2	E138 D142 K542	E138-R540 IonicContact OE2-NH2 3.28Å; E138-R540 PolarHBondContact OE2-NH2 3.01Å; E138-R540 VanDerWaalsContact OE2-NH2 3.08Å; D142-R540 WeakPolarHBondContact OD1-CD 3.34Å; D142-R540 WeakPolarHBondContact OD1-CG 3.2Å; D142-R540 IonicContact OD1-CZ 3.58Å; D142-R540 IonicContact OD1-NE 3.11Å; D142-R540 PolarHBondContact OD1-NE 3.13Å; D142-R540 IonicContact OD1-NH2 2.95Å; R540-K542 PolarHBondContact O-N 2.93Å
541	I	61.8	Low	69.1	Low	42 Å²	42	86.7 Å²	86.7	22%	0.215	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-60.7	127.8	-177.1	-56.3	173.8	0	0	0	109.6	P350 N351 K539 Y543	P350-I541 HydrophobicContact CB-CD1 3.65Å; P350-I541 HydrophobicContact CB-CG1 3.74Å; P350-I541 HydrophobicContact CG-CD1 3.66Å; P350-I541 HydrophobicContact CG-CG1 3.6Å; N351-I541 WeakPolarHBondContact O-CD1 3.32Å; K539-I541 PolarHBondContact O-N 3.04Å; I541-Y543 HydrophobicContact CB-CE2 4.04Å; I541-Y543 HydrophobicContact CG2-CD1 4.31Å; I541-Y543 HydrophobicContact CG2-CD2 4.11Å; I541-Y543 HydrophobicContact CG2-CE1 3.9Å; I541-Y543 HydrophobicContact CG2-CE2 3.65Å; I541-Y543 HydrophobicContact CG2-CG 4.42Å
542	K	62.9	Low	68.2	Low	133 Å²	133	86.8 Å²	86.8	58%	0.578	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-99.8	119.2	170.1	-67.3	-177.8	-176.7	177.4	0	109.4	D509 E510 R540	D509-K542 PolarHBondContact OD1-N 2.87Å; E510-K542 WeakPolarHBondContact CA-O 3.36Å; E510-K542 PolarHBondContact N-O 3.01Å; R540-K542 PolarHBondContact O-N 2.93Å
543	Y	61.5	Low	67.2	Low	61 Å²	61	90.3 Å²	90.3	24%	0.239	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-93.8	133.6	172.7	-61.7	-83.7	0	0	0	109.7	R329 L331 G352 I541 R545	R329-Y543 HydrophobicContact CB-CD1 3.85Å; R329-Y543 HydrophobicContact CB-CE1 4.49Å; R329-Y543 HydrophobicContact CB-CG 4.04Å; R329-Y543 HydrophobicContact CG-CD1 4.21Å; R329-Y543 HydrophobicContact CG-CD2 4.35Å; R329-Y543 HydrophobicContact CG-CG 3.95Å; L331-Y543 HydrophobicContact CD2-CD1 4.32Å; L331-Y543 HydrophobicContact CD2-CE1 3.85Å; G352-Y543 PolarHBondContact O-OH 3.1Å; I541-Y543 HydrophobicContact CB-CE2 4.04Å; I541-Y543 HydrophobicContact CG2-CD1 4.31Å; I541-Y543 HydrophobicContact CG2-CD2 4.11Å; I541-Y543 HydrophobicContact CG2-CE1 3.9Å; I541-Y543 HydrophobicContact CG2-CE2 3.65Å; I541-Y543 HydrophobicContact CG2-CG 4.42Å; Y543-R545 PolarHBondContact O-N 3.1Å
544	K	68.8	Low	66.5	Low	94 Å²	94	92.6 Å²	92.6	41%	0.409	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-69	116.3	166	-173.2	171.8	173.1	-174.1	0	107.8	L330 D333 E510	L330-K544 HydrophobicContact CB-CB 4.35Å; L330-K544 HydrophobicContact CD2-CB 4.49Å; L330-K544 HydrophobicContact CD2-CD 4.05Å; L330-K544 PolarHBondContact N-O 3.34Å; D333-K544 IonicContact OD2-NZ 3.08Å; D333-K544 PolarHBondContact OD2-NZ 3.02Å; E510-K544 HydrophobicContact CB-CB 4.21Å
545	R	69.3	Low	65.8	Low	224 Å²	224	91.5 Å²	91.5	85%	0.845	43%	0.43	S	S	*	.	B	Isolated β-bridge	trans	-71.3	132.6	174.5	-70.6	-170.5	-179.4	-171.6	0.3	109.2	D328 Y543 A547	D328-R545 WeakPolarHBondContact O-CA 3.26Å; Y543-R545 PolarHBondContact O-N 3.1Å; R545-A547 PolarHBondContact O-N 3.11Å
546	I	64.6	Low	65.2	Low	61 Å²	61	96.7 Å²	96.7	31%	0.313	45%	0.448	S	S	.	.			trans	-75.8	113	171.5	-57.8	174.7	0	0	0	107	D328 L330 K548	D328-I546 PolarHBondContact O-N 2.7Å; D328-I546 VanDerWaalsContact O-N 3.11Å; L330-I546 HydrophobicContact CB-CG1 4.41Å; I546-K548 PolarHBondContact O-N 3.2Å
547	A	66.4	Low	64.6	Low	95 Å²	95	102.5 Å²	102.5	79%	0.785	47%	0.473	S	S	*	.			trans	-64.3	126	166.8	0	0	0	0	0	107.9	R545	R545-A547 PolarHBondContact O-N 3.11Å
548	K	50.2	Low	64	Low	260 Å²	260	102.4 Å²	102.4	100%	1.13	47%	0.472	S	S	*	.			trans	-68.6	0	171.7	-86.2	-173.7	178.2	175.5	0	111.6	I546	I546-K548 PolarHBondContact O-N 3.2Å

Retrieved 548 of 548 residues in 579 ms (Link to these results)

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