A0A077ZCT2_TRITR Loading...

Tas retrotransposon peptidase A16 superfamily

AlphaFold DB , UniProt , Accession A0A077ZCT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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	48.4	Very low	63.7	Low	153 Å²	153	49.9 Å²	49.9	75%	0.754	30%	0.297	S	S	*	.				0	120.8	0	-178.8	-177.9	-70.8	0	0	107.5	L21 D169	M1-L21 WeakPolarHBondContact CA-O 3.47Å; M1-L21 HydrophobicContact CB-CB 4.38Å; M1-L21 WeakPolarHBondContact CB-O 3.48Å; M1-L21 PolarHBondContact N-O 2.94Å; M1-L21 CarbonylContact O-C 2.95Å; M1-L21 WeakPolarHBondContact O-CA 3.28Å; M1-L21 WeakPolarHBondContact O-CB 3.47Å; M1-L21 WeakPolarHBondContact O-CG 3.26Å; M1-L21 PolarHBondContact O-N 3.3Å; M1-D169 PolarHBondContact N-OD2 3.46Å
2	T	50.7	Low	64.4	Low	28 Å²	28	50.4 Å²	50.4	17%	0.172	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	148.1	178.8	47.9	0	0	0	0	111.2	T18 V19 L20	T2-T18 HydrophobicContact CG2-CG2 4.21Å; T2-V19 CarbonylContact C-O 3.58Å; T2-V19 WeakPolarHBondContact CA-O 3.39Å; T2-L20 HydrophobicContact CG2-CD1 3.68Å; T2-L20 HydrophobicContact CG2-CG 3.83Å
3	A	55.9	Low	65.2	Low	13 Å²	13	48.7 Å²	48.7	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.3	173.4	0	0	0	0	0	111.4	V19 L21 I54	A3-V19 PolarHBondContact N-O 2.96Å; A3-V19 PolarHBondContact O-N 3.16Å; A3-L21 HydrophobicContact CB-CD1 3.46Å; A3-L21 VanDerWaalsContact CB-CD1 3.46Å; A3-L21 HydrophobicContact CB-CD2 4.13Å; A3-L21 HydrophobicContact CB-CG 3.86Å; A3-I54 HydrophobicContact CB-CG2 3.21Å
4	Q	60.6	Low	65.9	Low	95 Å²	95	55.3 Å²	55.3	44%	0.444	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.8	173.9	-62	-62	-24.2	0	0	109	T18	Q4-T18 PolarHBondContact NE2-OG1 3.43Å; Q4-T18 PolarHBondContact OE1-OG1 2.97Å; Q4-T18 VanDerWaalsContact OE1-OG1 3.12Å
5	G	66.4	Low	66.3	Low	3 Å²	3	52.3 Å²	52.3	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	170.3	172.1	0	0	0	0	0	111.6	N16 V17 S53	G5-N16 CarbonylContact O-C 3.54Å; G5-N16 WeakPolarHBondContact O-CA 3.17Å; G5-V17 PolarHBondContact N-O 2.64Å; G5-V17 WeakPolarHBondContact O-CG2 3.48Å; G5-V17 PolarHBondContact O-N 3.27Å; G5-V17 VanDerWaalsContact O-O 3.11Å; G5-S53 VanDerWaalsContact CA-O 3.24Å; G5-S53 WeakPolarHBondContact CA-O 3.41Å
6	T	69.6	Low	66.5	Low	22 Å²	22	56.7 Å²	56.7	14%	0.135	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.2	176.7	-53.1	0	0	0	0	108.6	R14 S15 N16 Y51	T6-R14 HydrophobicContact CG2-CB 4.09Å; T6-R14 HydrophobicContact CG2-CG 4.13Å; T6-S15 CarbonylContact C-O 3.58Å; T6-S15 WeakPolarHBondContact CA-O 3.16Å; T6-N16 PolarHBondContact OG1-OD1 3.26Å; T6-Y51 WeakPolarHBondContact O-CA 3.41Å
7	L	71.1	Confident	66.5	Low	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133	167.8	-86.2	174.1	0	0	0	109.7	R14 S15 V17 I30 I34 L38 L40 Y51 V65	L7-R14 CarbonylContact O-C 3.54Å; L7-R14 VanDerWaalsContact O-CA 3.28Å; L7-R14 WeakPolarHBondContact O-CA 3.32Å; L7-S15 PolarHBondContact N-O 3.38Å; L7-S15 PolarHBondContact O-N 3.24Å; L7-V17 HydrophobicContact CB-CG1 4.5Å; L7-V17 HydrophobicContact CD1-CG1 3.63Å; L7-V17 HydrophobicContact CD1-CG2 4.36Å; L7-V17 HydrophobicContact CG-CG1 4.07Å; L7-V17 HydrophobicContact CG-CG2 3.99Å; L7-I30 HydrophobicContact CD1-CD1 3.76Å; L7-I30 HydrophobicContact CD1-CG2 3.95Å; L7-I30 HydrophobicContact CD2-CD1 4.23Å; L7-I30 HydrophobicContact CG-CD1 4.22Å; L7-I34 HydrophobicContact CD1-CG2 3.89Å; L7-L38 HydrophobicContact CB-CD1 3.53Å; L7-L38 HydrophobicContact CD1-CD1 3.97Å; L7-L38 HydrophobicContact CG-CD1 4.4Å; L7-L40 HydrophobicContact CD1-CD1 4.14Å; L7-L40 HydrophobicContact CD2-CD1 4.48Å; L7-Y51 HydrophobicContact CD2-CE1 4.01Å; L7-Y51 HydrophobicContact CD2-CE2 3.6Å; L7-Y51 WeakPolarHBondContact CD2-OH 3.44Å; L7-Y51 HydrophobicContact CG-CE1 4.07Å; L7-Y51 WeakPolarHBondContact CG-OH 3.45Å; L7-V65 HydrophobicContact CD2-CG2 4.06Å
8	K	67.9	Low	66.2	Low	45 Å²	45	53.7 Å²	53.7	20%	0.196	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.3	164.4	-86.3	177.1	172	174.9	0	110.8	G13 R14 D49 T50 E52	K8-G13 CarbonylContact C-O 3.48Å; K8-G13 VanDerWaalsContact CA-O 3.27Å; K8-G13 WeakPolarHBondContact CA-O 3.47Å; K8-R14 HydrophobicContact CG-CG 3.64Å; K8-D49 CarbonylContact O-C 3.52Å; K8-D49 VanDerWaalsContact O-CA 3.24Å; K8-D49 WeakPolarHBondContact O-CA 3.48Å; K8-D49 WeakPolarHBondContact O-CB 3.33Å; K8-T50 PolarHBondContact N-O 3.06Å; K8-E52 IonicContact NZ-OE1 2.71Å; K8-E52 PolarHBondContact NZ-OE1 3.3Å; K8-E52 IonicContact NZ-OE2 3.67Å
9	S	72.6	Confident	65.9	Low	9 Å²	9	51 Å²	51	6%	0.063	30%	0.304	C	S	.	.			trans	-81	156.3	163.8	69.3	0	0	0	0	111.1	S11 G12 G13 L38 D49	S9-S11 PolarHBondContact O-N 2.96Å; S9-S11 VanDerWaalsContact O-N 3.1Å; S9-S11 PolarHBondContact OG-N 2.87Å; S9-S11 PolarHBondContact OG-OG 2.99Å; S9-G12 PolarHBondContact O-N 2.68Å; S9-G13 PolarHBondContact N-O 3.25Å; S9-G13 WeakPolarHBondContact OG-CA 3.47Å; S9-G13 PolarHBondContact OG-N 3.08Å; S9-L38 WeakPolarHBondContact CB-O 3.05Å; S9-D49 WeakPolarHBondContact CA-OD1 3.31Å
10	A	65.3	Low	65.4	Low	81 Å²	81	49.8 Å²	49.8	67%	0.669	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-27	168.6	0	0	0	0	0	113.9	G12 D49	A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 3.29Å; A10-D49 PolarHBondContact N-OD1 2.97Å
11	S	72.6	Confident	64.9	Low	100 Å²	100	48.3 Å²	48.3	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.8	175.8	56.9	0	0	0	0	114.5	S9	S9-S11 PolarHBondContact O-N 2.96Å; S9-S11 VanDerWaalsContact O-N 3.1Å; S9-S11 PolarHBondContact OG-N 2.87Å; S9-S11 PolarHBondContact OG-OG 2.99Å
12	G	72.1	Confident	65.2	Low	56 Å²	56	42.2 Å²	42.2	58%	0.577	26%	0.257	S	S	*	.	S	Bend	trans	87	0.9	179.3	0	0	0	0	0	115	S9 A10	S9-G12 PolarHBondContact O-N 2.68Å; A10-G12 VanDerWaalsContact C-N 3.27Å; A10-G12 PolarHBondContact O-N 3.29Å
13	G	74.3	Confident	65.1	Low	28 Å²	28	47.2 Å²	47.2	29%	0.289	29%	0.287	S	S	.	.			trans	-65.6	139.2	174.1	0	0	0	0	0	111.1	K8 S9	K8-G13 CarbonylContact C-O 3.48Å; K8-G13 VanDerWaalsContact CA-O 3.27Å; K8-G13 WeakPolarHBondContact CA-O 3.47Å; S9-G13 PolarHBondContact N-O 3.25Å; S9-G13 WeakPolarHBondContact OG-CA 3.47Å; S9-G13 PolarHBondContact OG-N 3.08Å
14	R	75.3	Confident	64.6	Low	141 Å²	141	49.3 Å²	49.3	53%	0.532	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.2	178.5	-78.4	175.3	161.1	133.4	-7.4	111.1	T6 L7 K8 E52	T6-R14 HydrophobicContact CG2-CB 4.09Å; T6-R14 HydrophobicContact CG2-CG 4.13Å; L7-R14 CarbonylContact O-C 3.54Å; L7-R14 VanDerWaalsContact O-CA 3.28Å; L7-R14 WeakPolarHBondContact O-CA 3.32Å; K8-R14 HydrophobicContact CG-CG 3.64Å; R14-E52 IonicContact CZ-OE1 3.35Å; R14-E52 IonicContact CZ-OE2 3.95Å; R14-E52 IonicContact NE-OE2 3.41Å; R14-E52 PolarHBondContact NE-OE2 3.01Å; R14-E52 IonicContact NH2-OE1 2.72Å; R14-E52 PolarHBondContact NH2-OE1 3.41Å; R14-E52 IonicContact NH2-OE2 3.32Å; R14-E52 PolarHBondContact NH2-OE2 2.9Å
15	S	71.2	Confident	64.2	Low	10 Å²	10	45.9 Å²	45.9	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.4	164.8	-83.8	0	0	0	0	111.3	T6 L7 R37	T6-S15 CarbonylContact C-O 3.58Å; T6-S15 WeakPolarHBondContact CA-O 3.16Å; L7-S15 PolarHBondContact N-O 3.38Å; L7-S15 PolarHBondContact O-N 3.24Å; S15-R37 PolarHBondContact OG-NE 3.38Å; S15-R37 PolarHBondContact OG-NH2 3.08Å
16	N	70.6	Confident	63.4	Low	123 Å²	123	50.9 Å²	50.9	66%	0.658	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.9	168.9	-73	-14.8	0	0	0	109.5	G5 T6	G5-N16 CarbonylContact O-C 3.54Å; G5-N16 WeakPolarHBondContact O-CA 3.17Å; T6-N16 PolarHBondContact OG1-OD1 3.26Å
17	V	65.9	Low	62.6	Low	5 Å²	5	55 Å²	55	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141	179.6	-68.1	0	0	0	0	109.6	G5 L7 V19 I34 Y51	G5-V17 PolarHBondContact N-O 2.64Å; G5-V17 WeakPolarHBondContact O-CG2 3.48Å; G5-V17 PolarHBondContact O-N 3.27Å; G5-V17 VanDerWaalsContact O-O 3.11Å; L7-V17 HydrophobicContact CB-CG1 4.5Å; L7-V17 HydrophobicContact CD1-CG1 3.63Å; L7-V17 HydrophobicContact CD1-CG2 4.36Å; L7-V17 HydrophobicContact CG-CG1 4.07Å; L7-V17 HydrophobicContact CG-CG2 3.99Å; V17-V19 HydrophobicContact CG2-CG2 3.73Å; V17-I34 HydrophobicContact CG1-CD1 3.71Å; V17-I34 HydrophobicContact CG1-CG2 3.8Å; V17-Y51 HydrophobicContact CG2-CE1 3.87Å
18	T	60.3	Low	62.1	Low	55 Å²	55	55.1 Å²	55.1	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.1	163.7	-52.5	0	0	0	0	107.5	T2 Q4	T2-T18 HydrophobicContact CG2-CG2 4.21Å; Q4-T18 PolarHBondContact NE2-OG1 3.43Å; Q4-T18 PolarHBondContact OE1-OG1 2.97Å; Q4-T18 VanDerWaalsContact OE1-OG1 3.12Å
19	V	61.7	Low	61.9	Low	2 Å²	2	56.6 Å²	56.6	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.9	179.6	-170.1	0	0	0	0	108.2	T2 A3 V17 L21 S28 Y51 I54	T2-V19 CarbonylContact C-O 3.58Å; T2-V19 WeakPolarHBondContact CA-O 3.39Å; A3-V19 PolarHBondContact N-O 2.96Å; A3-V19 PolarHBondContact O-N 3.16Å; V17-V19 HydrophobicContact CG2-CG2 3.73Å; V19-L21 HydrophobicContact CB-CD2 3.83Å; V19-L21 HydrophobicContact CG1-CD2 3.57Å; V19-S28 WeakPolarHBondContact CG1-OG 3.5Å; V19-Y51 HydrophobicContact CG2-CE1 4.02Å; V19-I54 HydrophobicContact CG2-CD1 4.39Å
20	L	56.5	Low	61.4	Low	26 Å²	26	57 Å²	57	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109	174	-128.2	116.2	0	0	0	110.2	T2 D22 S28 Q76 Y166 D169 I171	T2-L20 HydrophobicContact CG2-CD1 3.68Å; T2-L20 HydrophobicContact CG2-CG 3.83Å; L20-D22 PolarHBondContact O-N 3.24Å; L20-S28 PolarHBondContact O-OG 3.43Å; L20-S28 VanDerWaalsContact O-OG 3.05Å; L20-Q76 PolarHBondContact O-NE2 2.88Å; L20-Y166 HydrophobicContact CD2-CD1 4.49Å; L20-D169 HydrophobicContact CD2-CB 3.98Å; L20-D169 WeakPolarHBondContact CD2-OD2 3.21Å; L20-I171 HydrophobicContact CD1-CD1 3.38Å; L20-I171 HydrophobicContact CD1-CG1 3.54Å; L20-I171 HydrophobicContact CD1-CG2 4.49Å; L20-I171 HydrophobicContact CD2-CD1 3.56Å; L20-I171 HydrophobicContact CD2-CG1 4.39Å; L20-I171 HydrophobicContact CG-CD1 4.02Å
21	L	54.1	Low	61.4	Low	19 Å²	19	58.2 Å²	58.2	10%	0.099	33%	0.328	C	S	.	.			trans	-90.1	99.6	176.9	-34.8	-174	0	0	0	107.7	M1 A3 V19 I54 W78	M1-L21 WeakPolarHBondContact CA-O 3.47Å; M1-L21 HydrophobicContact CB-CB 4.38Å; M1-L21 WeakPolarHBondContact CB-O 3.48Å; M1-L21 PolarHBondContact N-O 2.94Å; M1-L21 CarbonylContact O-C 2.95Å; M1-L21 WeakPolarHBondContact O-CA 3.28Å; M1-L21 WeakPolarHBondContact O-CB 3.47Å; M1-L21 WeakPolarHBondContact O-CG 3.26Å; M1-L21 PolarHBondContact O-N 3.3Å; A3-L21 HydrophobicContact CB-CD1 3.46Å; A3-L21 VanDerWaalsContact CB-CD1 3.46Å; A3-L21 HydrophobicContact CB-CD2 4.13Å; A3-L21 HydrophobicContact CB-CG 3.86Å; V19-L21 HydrophobicContact CB-CD2 3.83Å; V19-L21 HydrophobicContact CG1-CD2 3.57Å; L21-I54 HydrophobicContact CD1-CG2 3.99Å; L21-I54 HydrophobicContact CD2-CD1 4.48Å; L21-W78 HydrophobicContact CB-CH2 3.65Å; L21-W78 HydrophobicContact CB-CZ2 3.67Å; L21-W78 HydrophobicContact CD1-CH2 3.25Å; L21-W78 HydrophobicContact CD1-CZ2 3.92Å; L21-W78 HydrophobicContact CD1-CZ3 3.58Å; L21-W78 HydrophobicContact CD2-CH2 3.26Å; L21-W78 HydrophobicContact CD2-CZ2 4.14Å; L21-W78 HydrophobicContact CD2-CZ3 4.02Å; L21-W78 HydrophobicContact CG-CH2 3.47Å; L21-W78 VanDerWaalsContact CG-CH2 3.47Å; L21-W78 HydrophobicContact CG-CZ2 4.05Å; L21-W78 HydrophobicContact CG-CZ3 4.24Å
22	D	53.7	Low	61.1	Low	26 Å²	26	59.3 Å²	59.3	14%	0.139	32%	0.32	C	S	.	.			trans	-103.6	132.8	165.9	-178.8	36.2	0	0	0	110	L20 G24 S25 Y166	L20-D22 PolarHBondContact O-N 3.24Å; D22-G24 PolarHBondContact O-N 2.98Å; D22-G24 PolarHBondContact OD1-N 3.05Å; D22-G24 WeakPolarHBondContact OD2-CA 3.49Å; D22-G24 PolarHBondContact OD2-N 3.25Å; D22-S25 PolarHBondContact O-N 3.48Å; D22-S25 PolarHBondContact OD2-N 3.33Å; D22-S25 VanDerWaalsContact OD2-N 3.13Å; D22-Y166 HydrophobicContact CB-CD1 4.49Å; D22-Y166 HydrophobicContact CB-CE1 3.68Å; D22-Y166 WeakPolarHBondContact OD2-CE1 3.16Å; D22-Y166 PolarHBondContact OD2-OH 3.27Å
23	V	50.1	Low	61	Low	132 Å²	132	60.3 Å²	60.3	80%	0.8	31%	0.313	S	S	*	.	S	Bend	trans	-62.4	-31.3	175.5	-97	0	0	0	0	110.7	K79	V23-K79 PolarHBondContact O-NZ 3.39Å
24	G	45.5	Very low	60.8	Low	58 Å²	58	59.7 Å²	59.7	60%	0.598	30%	0.302	S	S	*	.	S	Bend	trans	-75.9	-37.6	177.2	0	0	0	0	0	114.5	D22	D22-G24 PolarHBondContact O-N 2.98Å; D22-G24 PolarHBondContact OD1-N 3.05Å; D22-G24 WeakPolarHBondContact OD2-CA 3.49Å; D22-G24 PolarHBondContact OD2-N 3.25Å
25	S	51.4	Low	60.4	Low	22 Å²	22	53 Å²	53	15%	0.154	28%	0.277	C	S	.	.			trans	-82	130.4	-178.8	-165.7	0	0	0	0	113.2	D22 R27 K79 Y166	D22-S25 PolarHBondContact O-N 3.48Å; D22-S25 PolarHBondContact OD2-N 3.33Å; D22-S25 VanDerWaalsContact OD2-N 3.13Å; S25-R27 WeakPolarHBondContact CB-O 3.44Å; S25-R27 PolarHBondContact O-N 3.15Å; S25-R27 PolarHBondContact OG-N 2.7Å; S25-R27 PolarHBondContact OG-O 3.01Å; S25-K79 PolarHBondContact O-NZ 2.86Å; S25-Y166 WeakPolarHBondContact CB-OH 3.36Å
26	Q	50.4	Low	60.5	Low	108 Å²	108	57.4 Å²	57.4	51%	0.505	30%	0.297	S	S	.	.	S	Bend	trans	-71	-14.5	170.5	-66.6	-63.7	-29.5	0	0	112.6
27	R	51.8	Low	60.5	Low	109 Å²	109	59.4 Å²	59.4	41%	0.411	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.3	-175.6	-58.8	-175.7	176.4	-155.5	-3.4	111.9	S25 T73 V74	S25-R27 WeakPolarHBondContact CB-O 3.44Å; S25-R27 PolarHBondContact O-N 3.15Å; S25-R27 PolarHBondContact OG-N 2.7Å; S25-R27 PolarHBondContact OG-O 3.01Å; R27-T73 PolarHBondContact NH1-OG1 2.93Å; R27-V74 CarbonylContact C-O 3.6Å; R27-V74 VanDerWaalsContact CA-O 3.26Å; R27-V74 WeakPolarHBondContact CA-O 3.49Å
28	S	61	Low	60.8	Low	2 Å²	2	59.5 Å²	59.5	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	152.6	170.6	-63.2	0	0	0	0	111.3	V19 L20 T73 V74 Q76	V19-S28 WeakPolarHBondContact CG1-OG 3.5Å; L20-S28 PolarHBondContact O-OG 3.43Å; L20-S28 VanDerWaalsContact O-OG 3.05Å; S28-T73 CarbonylContact O-C 3.39Å; S28-T73 VanDerWaalsContact O-CA 3.23Å; S28-T73 WeakPolarHBondContact O-CA 3.46Å; S28-V74 PolarHBondContact N-O 2.96Å; S28-V74 PolarHBondContact O-N 3.47Å; S28-Q76 PolarHBondContact OG-NE2 2.85Å; S28-Q76 PolarHBondContact OG-OE1 3.4Å
29	F	62.8	Low	61.3	Low	76 Å²	76	67 Å²	67	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	146.4	172.8	-58.2	-71.6	0	0	0	111.6	T73	F29-T73 HydrophobicContact CD1-CG2 4.37Å; F29-T73 HydrophobicContact CE1-CG2 4.45Å
30	I	63.9	Low	61.6	Low	19 Å²	19	67.1 Å²	67.1	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144	175.9	-61.8	-163.7	0	0	0	110.1	L7 I34 Y51 Y72 V74	L7-I30 HydrophobicContact CD1-CD1 3.76Å; L7-I30 HydrophobicContact CD1-CG2 3.95Å; L7-I30 HydrophobicContact CD2-CD1 4.23Å; L7-I30 HydrophobicContact CG-CD1 4.22Å; I30-I34 HydrophobicContact CG2-CB 4.44Å; I30-Y51 WeakPolarHBondContact CD1-OH 3.3Å; I30-Y72 PolarHBondContact N-O 2.98Å; I30-V74 HydrophobicContact CD1-CB 3.95Å; I30-V74 HydrophobicContact CD1-CG2 3.15Å; I30-V74 HydrophobicContact CG1-CB 4.48Å; I30-V74 HydrophobicContact CG1-CG2 3.86Å
31	R	64.3	Low	61.5	Low	105 Å²	105	74.1 Å²	74.1	40%	0.396	35%	0.35	S	S	.	.			trans	-69.3	142	179.6	-60.1	-172.5	-159.9	165	2.3	112	D33 I34 T35 N204	R31-D33 WeakPolarHBondContact CB-OD1 3.35Å; R31-D33 PolarHBondContact O-N 2.82Å; R31-I34 HydrophobicContact CB-CD1 4.31Å; R31-I34 HydrophobicContact CB-CG1 4.29Å; R31-I34 PolarHBondContact O-N 2.97Å; R31-T35 PolarHBondContact O-N 3.37Å; R31-T35 PolarHBondContact O-OG1 2.93Å; R31-N204 PolarHBondContact NH1-ND2 2.98Å; R31-N204 PolarHBondContact NH1-OD1 2.75Å; R31-N204 VanDerWaalsContact NH2-CG 3.33Å; R31-N204 PolarHBondContact NH2-OD1 3.42Å
32	K	67.3	Low	61.3	Low	123 Å²	123	73.7 Å²	73.7	54%	0.535	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-40.3	-177.1	-164.2	-173.3	-174.2	-125.3	0	113.6	I34 T35 E36 Y72	K32-I34 VanDerWaalsContact C-N 3.26Å; K32-I34 PolarHBondContact O-N 3.03Å; K32-T35 WeakPolarHBondContact CA-OG1 3.42Å; K32-T35 PolarHBondContact O-N 3.35Å; K32-T35 PolarHBondContact O-OG1 3.44Å; K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.41Å; K32-E36 IonicContact NZ-OE1 2.68Å; K32-E36 PolarHBondContact NZ-OE1 3.01Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 WeakPolarHBondContact O-CG 3.28Å; K32-E36 PolarHBondContact O-N 3.46Å; K32-Y72 HydrophobicContact CG-CD2 4.36Å; K32-Y72 HydrophobicContact CG-CE2 3.98Å
33	D	68.5	Low	60.4	Low	78 Å²	78	79.7 Å²	79.7	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-35.5	179.8	66.2	-48.5	0	0	0	111.9	R31 R37	R31-D33 WeakPolarHBondContact CB-OD1 3.35Å; R31-D33 PolarHBondContact O-N 2.82Å; D33-R37 WeakPolarHBondContact O-CB 3.25Å; D33-R37 PolarHBondContact O-N 2.79Å
34	I	69.8	Low	59.6	Low	15 Å²	15	77.4 Å²	77.4	8%	0.077	37%	0.367	C	S	.	.	H	α-helix	trans	-69.8	-42.5	177.7	-57	-178.1	0	0	0	110.2	L7 V17 I30 R31 K32 L38	L7-I34 HydrophobicContact CD1-CG2 3.89Å; V17-I34 HydrophobicContact CG1-CD1 3.71Å; V17-I34 HydrophobicContact CG1-CG2 3.8Å; I30-I34 HydrophobicContact CG2-CB 4.44Å; R31-I34 HydrophobicContact CB-CD1 4.31Å; R31-I34 HydrophobicContact CB-CG1 4.29Å; R31-I34 PolarHBondContact O-N 2.97Å; K32-I34 VanDerWaalsContact C-N 3.26Å; K32-I34 PolarHBondContact O-N 3.03Å; I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 WeakPolarHBondContact O-CG 3.37Å; I34-L38 PolarHBondContact O-N 3.44Å
35	T	68.1	Low	59	Low	0 Å²	0	82.5 Å²	82.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-40.9	175.9	22.9	0	0	0	0	112.6	R31 K32 L38 R39 L40 V65 Y72	R31-T35 PolarHBondContact O-N 3.37Å; R31-T35 PolarHBondContact O-OG1 2.93Å; K32-T35 WeakPolarHBondContact CA-OG1 3.42Å; K32-T35 PolarHBondContact O-N 3.35Å; K32-T35 PolarHBondContact O-OG1 3.44Å; T35-L38 PolarHBondContact O-N 2.89Å; T35-R39 PolarHBondContact O-N 3.29Å; T35-L40 HydrophobicContact CG2-CB 3.75Å; T35-L40 HydrophobicContact CG2-CD1 3.46Å; T35-L40 VanDerWaalsContact CG2-CD1 3.46Å; T35-L40 HydrophobicContact CG2-CG 4.15Å; T35-L40 PolarHBondContact O-N 3.3Å; T35-V65 HydrophobicContact CG2-CG1 4.1Å; T35-Y72 HydrophobicContact CG2-CD1 3.31Å; T35-Y72 HydrophobicContact CG2-CD2 4.09Å; T35-Y72 HydrophobicContact CG2-CE1 3.62Å; T35-Y72 HydrophobicContact CG2-CE2 4.38Å; T35-Y72 HydrophobicContact CG2-CG 3.54Å; T35-Y72 WeakPolarHBondContact OG1-CD2 3.34Å; T35-Y72 VanDerWaalsContact OG1-CE2 3.26Å; T35-Y72 WeakPolarHBondContact OG1-CE2 3.4Å
36	E	71.9	Confident	58.1	Low	103 Å²	103	88.7 Å²	88.7	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-46.3	174	-72.9	174.5	174.2	0	0	111.8	K32 L38 R39	K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.41Å; K32-E36 IonicContact NZ-OE1 2.68Å; K32-E36 PolarHBondContact NZ-OE1 3.01Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 WeakPolarHBondContact O-CG 3.28Å; K32-E36 PolarHBondContact O-N 3.46Å; E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.46Å; E36-R39 PolarHBondContact O-N 3.1Å
37	R	71.4	Confident	57.5	Low	164 Å²	164	93.3 Å²	93.3	62%	0.619	41%	0.412	S	S	*	.	H	α-helix	trans	-61.9	-38.1	178.5	-177.8	170.6	66.9	-167.6	-1.1	112.5	S15 D33 R39	S15-R37 PolarHBondContact OG-NE 3.38Å; S15-R37 PolarHBondContact OG-NH2 3.08Å; D33-R37 WeakPolarHBondContact O-CB 3.25Å; D33-R37 PolarHBondContact O-N 2.79Å; R37-R39 VanDerWaalsContact C-N 3.26Å
38	L	72.6	Confident	56.5	Low	7 Å²	7	90.9 Å²	90.9	4%	0.037	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.5	176.5	-72.2	-179.7	0	0	0	113.2	L7 S9 I34 T35 E36 L40	L7-L38 HydrophobicContact CB-CD1 3.53Å; L7-L38 HydrophobicContact CD1-CD1 3.97Å; L7-L38 HydrophobicContact CG-CD1 4.4Å; S9-L38 WeakPolarHBondContact CB-O 3.05Å; I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 WeakPolarHBondContact O-CG 3.37Å; I34-L38 PolarHBondContact O-N 3.44Å; T35-L38 PolarHBondContact O-N 2.89Å; E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.46Å; L38-L40 HydrophobicContact CB-CD1 3.91Å; L38-L40 HydrophobicContact CB-CD2 4.24Å; L38-L40 HydrophobicContact CB-CG 3.63Å; L38-L40 HydrophobicContact CD1-CD1 3.87Å; L38-L40 HydrophobicContact CD1-CG 4.43Å; L38-L40 PolarHBondContact O-N 2.87Å
39	R	71.6	Confident	55.7	Low	212 Å²	212	91.5 Å²	91.5	80%	0.8	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	41.2	-174.2	-57.5	-176.1	176.5	-180	-1.5	112.3	T35 E36 R37 E41	T35-R39 PolarHBondContact O-N 3.29Å; E36-R39 PolarHBondContact O-N 3.1Å; R37-R39 VanDerWaalsContact C-N 3.26Å; R39-E41 PolarHBondContact O-N 3.19Å
40	L	66.5	Low	54.6	Low	6 Å²	6	89.9 Å²	89.9	3%	0.031	41%	0.412	C	S	.	.			trans	-73.9	105.9	178.3	-65	175.6	0	0	0	108.7	L7 T35 L38 G42 D49 V65	L7-L40 HydrophobicContact CD1-CD1 4.14Å; L7-L40 HydrophobicContact CD2-CD1 4.48Å; T35-L40 HydrophobicContact CG2-CB 3.75Å; T35-L40 HydrophobicContact CG2-CD1 3.46Å; T35-L40 VanDerWaalsContact CG2-CD1 3.46Å; T35-L40 HydrophobicContact CG2-CG 4.15Å; T35-L40 PolarHBondContact O-N 3.3Å; L38-L40 HydrophobicContact CB-CD1 3.91Å; L38-L40 HydrophobicContact CB-CD2 4.24Å; L38-L40 HydrophobicContact CB-CG 3.63Å; L38-L40 HydrophobicContact CD1-CD1 3.87Å; L38-L40 HydrophobicContact CD1-CG 4.43Å; L38-L40 PolarHBondContact O-N 2.87Å; L40-G42 PolarHBondContact O-N 3.4Å; L40-D49 HydrophobicContact CD2-CB 3.88Å; L40-D49 WeakPolarHBondContact CD2-OD2 3.21Å; L40-V65 HydrophobicContact CD1-CG1 4.48Å; L40-V65 HydrophobicContact CD1-CG2 4.23Å
41	E	55	Low	53.9	Low	172 Å²	172	89.3 Å²	89.3	80%	0.804	41%	0.408	S	S	*	.			trans	-78.2	111.9	179.1	-69.9	-172.9	-178.4	0	0	110.2	R39 H43	R39-E41 PolarHBondContact O-N 3.19Å; E41-H43 PolarHBondContact O-N 2.88Å
42	G	48.9	Very low	52.9	Low	11 Å²	11	87.6 Å²	87.6	11%	0.113	41%	0.405	C	S	.	.			trans	-78.2	31	-174.6	0	0	0	0	0	115.3	L40	L40-G42 PolarHBondContact O-N 3.4Å
43	H	35.4	Very low	51.7	Low	152 Å²	152	83.3 Å²	83.3	70%	0.704	39%	0.391	S	S	*	.	S	Bend	trans	-117.2	108.7	-172.9	-68.9	8	0	0	0	110.4	E41	E41-H43 PolarHBondContact O-N 2.88Å
44	S	32.5	Very low	50.4	Low	83 Å²	83	81.2 Å²	81.2	58%	0.58	38%	0.379	S	S	*	.	S	Bend	trans	72.3	141.4	-173.4	75.4	0	0	0	0	114.8	K46	S44-K46 PolarHBondContact O-N 2.93Å
45	E	34.7	Very low	49	Very low	165 Å²	165	82.8 Å²	82.8	77%	0.771	40%	0.399	S	S	*	.			trans	-61.5	62.7	173.5	-167.3	172	-139.2	0	0	110.4
46	K	32.5	Very low	47.6	Very low	153 Å²	153	94.4 Å²	94.4	67%	0.665	44%	0.443	S	S	*	.			trans	-87.5	119.8	169.5	-81.6	-173.2	178	179.1	0	107.5	S44 S48	S44-K46 PolarHBondContact O-N 2.93Å; K46-S48 PolarHBondContact O-N 3.01Å
47	R	35.9	Very low	46	Very low	204 Å²	204	95.9 Å²	95.9	77%	0.77	45%	0.454	S	S	*	.	S	Bend	trans	-60.6	34.9	-175.4	-151.1	179.4	-170.1	-179.6	3.6	114.8
48	S	32.9	Very low	44.6	Very low	58 Å²	58	96.2 Å²	96.2	41%	0.406	46%	0.462	S	S	.	.			trans	-104.1	-14	-154.6	-171.3	0	0	0	0	116.4	K46	K46-S48 PolarHBondContact O-N 3.01Å
49	D	42.6	Very low	43.1	Very low	16 Å²	16	98.9 Å²	98.9	9%	0.086	49%	0.485	C	S	.	.			trans	-113.9	98.1	-170.4	-62.5	-47.9	0	0	0	110.8	K8 S9 A10 L40 V65	K8-D49 CarbonylContact O-C 3.52Å; K8-D49 VanDerWaalsContact O-CA 3.24Å; K8-D49 WeakPolarHBondContact O-CA 3.48Å; K8-D49 WeakPolarHBondContact O-CB 3.33Å; S9-D49 WeakPolarHBondContact CA-OD1 3.31Å; A10-D49 PolarHBondContact N-OD1 2.97Å; L40-D49 HydrophobicContact CD2-CB 3.88Å; L40-D49 WeakPolarHBondContact CD2-OD2 3.21Å; D49-V65 HydrophobicContact CB-CG2 3.98Å
50	T	40.5	Very low	42.1	Very low	42 Å²	42	92.7 Å²	92.7	26%	0.258	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-74.3	143.1	-166.9	23.8	0	0	0	0	112.7	K8 Q62	K8-T50 PolarHBondContact N-O 3.06Å; T50-Q62 HydrophobicContact CG2-CG 3.2Å; T50-Q62 VanDerWaalsContact CG2-NE2 3.33Å
51	Y	48.5	Very low	41.5	Very low	6 Å²	6	96.4 Å²	96.4	2%	0.024	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.5	162.3	-74.6	-98.8	0	0	0	110.8	T6 L7 V17 V19 I30 Q61 C63 V74	T6-Y51 WeakPolarHBondContact O-CA 3.41Å; L7-Y51 HydrophobicContact CD2-CE1 4.01Å; L7-Y51 HydrophobicContact CD2-CE2 3.6Å; L7-Y51 WeakPolarHBondContact CD2-OH 3.44Å; L7-Y51 HydrophobicContact CG-CE1 4.07Å; L7-Y51 WeakPolarHBondContact CG-OH 3.45Å; V17-Y51 HydrophobicContact CG2-CE1 3.87Å; V19-Y51 HydrophobicContact CG2-CE1 4.02Å; I30-Y51 WeakPolarHBondContact CD1-OH 3.3Å; Y51-Q61 WeakPolarHBondContact CB-O 3.18Å; Y51-Q61 PolarHBondContact O-N 3.39Å; Y51-C63 HydrophobicContact CD2-CB 3.62Å; Y51-C63 HydrophobicContact CE2-CB 3.76Å; Y51-V74 HydrophobicContact CD2-CG1 4.47Å; Y51-V74 HydrophobicContact CE2-CG1 3.42Å; Y51-V74 VanDerWaalsContact CE2-CG1 3.42Å; Y51-V74 WeakPolarHBondContact OH-CG1 3.36Å; Y51-V74 WeakPolarHBondContact OH-CG2 3.15Å
52	E	44.2	Very low	41.5	Very low	69 Å²	69	94 Å²	94	32%	0.322	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-29.3	-178.1	-139.3	155.8	-146.2	0	0	112.7	K8 R14 S60	K8-E52 IonicContact NZ-OE1 2.71Å; K8-E52 PolarHBondContact NZ-OE1 3.3Å; K8-E52 IonicContact NZ-OE2 3.67Å; R14-E52 IonicContact CZ-OE1 3.35Å; R14-E52 IonicContact CZ-OE2 3.95Å; R14-E52 IonicContact NE-OE2 3.41Å; R14-E52 PolarHBondContact NE-OE2 3.01Å; R14-E52 IonicContact NH2-OE1 2.72Å; R14-E52 PolarHBondContact NH2-OE1 3.41Å; R14-E52 IonicContact NH2-OE2 3.32Å; R14-E52 PolarHBondContact NH2-OE2 2.9Å; E52-S60 WeakPolarHBondContact O-CA 3.44Å; E52-S60 PolarHBondContact O-OG 3.48Å
53	S	42.5	Very low	42	Very low	34 Å²	34	93.5 Å²	93.5	24%	0.238	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	151.7	171.8	63.2	0	0	0	0	112.1	G5	G5-S53 VanDerWaalsContact CA-O 3.24Å; G5-S53 WeakPolarHBondContact CA-O 3.41Å
54	I	40.1	Very low	43.3	Very low	34 Å²	34	87.1 Å²	87.1	17%	0.174	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	110.8	163.5	-63.3	-157.3	0	0	0	107.9	A3 V19 L21 P77 W78	A3-I54 HydrophobicContact CB-CG2 3.21Å; V19-I54 HydrophobicContact CG2-CD1 4.39Å; L21-I54 HydrophobicContact CD1-CG2 3.99Å; L21-I54 HydrophobicContact CD2-CD1 4.48Å; I54-P77 HydrophobicContact CD1-CG 3.39Å; I54-P77 HydrophobicContact CG1-CG 4.05Å; I54-W78 HydrophobicContact CD1-CZ3 4.25Å; I54-W78 HydrophobicContact CG2-CZ3 4.2Å
55	G	41.3	Very low	45	Very low	48 Å²	48	83.7 Å²	83.7	50%	0.495	43%	0.426	S	S	.	.	S	Bend	trans	83	-176.3	-177.9	0	0	0	0	0	114.9	N57	G55-N57 PolarHBondContact O-N 3.03Å
56	R	37.8	Very low	46.6	Very low	244 Å²	244	76.9 Å²	76.9	92%	0.921	40%	0.398	S	S	*	.	S	Bend	trans	-64.4	-9.5	-175.4	-73.9	-173	-175.9	168	2.2	115
57	N	38.2	Very low	48.5	Very low	134 Å²	134	72.3 Å²	72.3	72%	0.717	38%	0.378	S	S	*	.	S	Bend	trans	-99.8	115.7	178.2	-68.3	-23.4	0	0	0	108.9	G55 A59	G55-N57 PolarHBondContact O-N 3.03Å; N57-A59 PolarHBondContact O-N 2.83Å
58	H	42.4	Very low	50	Low	171 Å²	171	66.1 Å²	66.1	79%	0.792	36%	0.36	S	S	*	.			trans	-67.8	38.8	-176.9	-72.5	-96.4	0	0	0	114.6	S60	H58-S60 PolarHBondContact O-N 2.94Å
59	A	42.1	Very low	51.5	Low	63 Å²	63	74 Å²	74	52%	0.521	38%	0.381	S	S	.	.			trans	-82.3	102.9	174.5	0	0	0	0	0	109.3	N57 Q61	N57-A59 PolarHBondContact O-N 2.83Å; A59-Q61 PolarHBondContact O-N 3.33Å
60	S	50.7	Low	52.6	Low	82 Å²	82	81 Å²	81	57%	0.573	41%	0.413	S	S	*	.			trans	-71.4	112.7	169.7	-50.9	0	0	0	0	109.1	E52 H58	E52-S60 WeakPolarHBondContact O-CA 3.44Å; E52-S60 PolarHBondContact O-OG 3.48Å; H58-S60 PolarHBondContact O-N 2.94Å
61	Q	54	Low	53.8	Low	83 Å²	83	84.8 Å²	84.8	39%	0.388	42%	0.423	S	S	.	.			trans	-119	131.5	175.8	-95.3	173	-20.7	0	0	109.8	Y51 A59 C63 P77	Y51-Q61 WeakPolarHBondContact CB-O 3.18Å; Y51-Q61 PolarHBondContact O-N 3.39Å; A59-Q61 PolarHBondContact O-N 3.33Å; Q61-C63 PolarHBondContact O-N 3.35Å; Q61-P77 HydrophobicContact CB-CB 3.64Å; Q61-P77 VanDerWaalsContact CD-O 3.22Å; Q61-P77 HydrophobicContact CG-CB 4.46Å; Q61-P77 PolarHBondContact NE2-O 2.83Å; Q61-P77 PolarHBondContact OE1-O 3.1Å
62	Q	54.4	Low	54.8	Low	121 Å²	121	85.8 Å²	85.8	57%	0.565	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-73.1	123.3	174.9	-93.5	179.8	-10.7	0	0	110.3	T50	T50-Q62 HydrophobicContact CG2-CG 3.2Å; T50-Q62 VanDerWaalsContact CG2-NE2 3.33Å
63	C	58.6	Low	55.9	Low	2 Å²	2	82.9 Å²	82.9	1%	0.014	41%	0.414	C	S	.	.			trans	-119.2	145.2	172.9	-55.4	0	0	0	0	109	Y51 Q61 V74 S75 P77	Y51-C63 HydrophobicContact CD2-CB 3.62Å; Y51-C63 HydrophobicContact CE2-CB 3.76Å; Q61-C63 PolarHBondContact O-N 3.35Å; C63-V74 HydrophobicContact CB-CG1 3.62Å; C63-S75 WeakPolarHBondContact CA-OG 3.5Å; C63-S75 VanDerWaalsContact CB-O 3.22Å; C63-S75 WeakPolarHBondContact CB-O 3.38Å; C63-S75 WeakPolarHBondContact CB-OG 3.48Å; C63-S75 PolarHBondContact SG-O 2.99Å; C63-P77 VanDerWaalsContact SG-CA 3.57Å; C63-P77 VanDerWaalsContact SG-CB 3.55Å
64	G	63.8	Low	57.1	Low	18 Å²	18	81.3 Å²	81.3	19%	0.186	40%	0.403	C	S	.	.			trans	-85.8	142.8	175.5	0	0	0	0	0	110.9	V74 S75	G64-V74 VanDerWaalsContact O-CA 3.3Å; G64-V74 WeakPolarHBondContact O-CA 3.29Å; G64-S75 PolarHBondContact N-OG 2.86Å; G64-S75 PolarHBondContact O-N 3.36Å; G64-S75 VanDerWaalsContact O-N 3.16Å
65	V	68.3	Low	58.2	Low	10 Å²	10	82 Å²	82	6%	0.061	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.5	166.7	-177.6	0	0	0	0	108.3	L7 T35 L40 D49 Y72 T73 V74	L7-V65 HydrophobicContact CD2-CG2 4.06Å; T35-V65 HydrophobicContact CG2-CG1 4.1Å; L40-V65 HydrophobicContact CD1-CG1 4.48Å; L40-V65 HydrophobicContact CD1-CG2 4.23Å; D49-V65 HydrophobicContact CB-CG2 3.98Å; V65-Y72 HydrophobicContact CG1-CD1 4.03Å; V65-T73 CarbonylContact C-O 3.48Å; V65-T73 WeakPolarHBondContact CA-O 3.3Å; V65-V74 HydrophobicContact CB-CG2 4.26Å; V65-V74 HydrophobicContact CG1-CG2 4.34Å; V65-V74 HydrophobicContact CG2-CG2 3.74Å
66	A	68.5	Low	59.2	Low	22 Å²	22	80 Å²	80	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.1	177.7	0	0	0	0	0	110.9	Y72 T73	A66-Y72 CarbonylContact O-C 3.58Å; A66-Y72 WeakPolarHBondContact O-CA 3.3Å; A66-T73 PolarHBondContact N-O 3.2Å; A66-T73 PolarHBondContact O-N 3.03Å; A66-T73 PolarHBondContact O-OG1 3.5Å; A66-T73 VanDerWaalsContact O-OG1 3.13Å
67	F	71.4	Confident	60.1	Low	57 Å²	57	69.2 Å²	69.2	25%	0.25	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.3	175.1	-175.5	-121.7	0	0	0	109.9	R69 R71 Y72	F67-R69 VanDerWaalsContact C-N 3.28Å; F67-R69 VanDerWaalsContact CE1-CA 3.42Å; F67-R69 VanDerWaalsContact CZ-C 3.47Å; F67-R69 PolarHBondContact O-N 3.41Å; F67-R71 WeakPolarHBondContact CD2-O 3.36Å; F67-Y72 HydrophobicContact CB-CD1 3.88Å; F67-Y72 HydrophobicContact CB-CE1 3.79Å; F67-Y72 AromaticContact CD2-CD1 3.91Å; F67-Y72 HydrophobicContact CD2-CD1 3.91Å; F67-Y72 AromaticContact CD2-CD2 3.62Å; F67-Y72 HydrophobicContact CD2-CD2 3.62Å; F67-Y72 AromaticContact CD2-CE1 3.9Å; F67-Y72 HydrophobicContact CD2-CE1 3.9Å; F67-Y72 AromaticContact CD2-CE2 3.56Å; F67-Y72 HydrophobicContact CD2-CE2 3.56Å; F67-Y72 AromaticContact CD2-CG 3.8Å; F67-Y72 HydrophobicContact CD2-CG 3.8Å; F67-Y72 AromaticContact CD2-CZ 3.72Å; F67-Y72 AromaticContact CE2-CD2 3.94Å; F67-Y72 HydrophobicContact CE2-CD2 3.94Å; F67-Y72 AromaticContact CE2-CE2 3.73Å; F67-Y72 HydrophobicContact CE2-CE2 3.73Å; F67-Y72 HydrophobicContact CG-CD1 4.24Å; F67-Y72 AromaticContact CG-CE1 3.98Å; F67-Y72 HydrophobicContact CG-CE1 3.98Å; F67-Y72 HydrophobicContact CG-CE2 4.33Å
68	D	66.6	Low	61.2	Low	74 Å²	74	67.7 Å²	67.7	40%	0.396	33%	0.334	S	S	.	.			trans	-91.4	16.1	-178.8	66.7	7.6	0	0	0	113.4	E70 R71	D68-E70 PolarHBondContact O-N 3.43Å; D68-E70 WeakPolarHBondContact OD1-CA 3.39Å; D68-E70 WeakPolarHBondContact OD1-CB 3.32Å; D68-E70 PolarHBondContact OD1-N 3.29Å; D68-R71 PolarHBondContact N-O 3.14Å; D68-R71 VanDerWaalsContact OD1-CG 3.31Å; D68-R71 WeakPolarHBondContact OD1-CG 3.47Å; D68-R71 PolarHBondContact OD1-N 2.95Å; D68-R71 VanDerWaalsContact OD2-CG 3.3Å; D68-R71 WeakPolarHBondContact OD2-CG 3.44Å; D68-R71 IonicContact OD2-NE 3.47Å; D68-R71 PolarHBondContact OD2-NE 3.4Å
69	R	65.3	Low	61.8	Low	225 Å²	225	61.3 Å²	61.3	85%	0.849	30%	0.304	S	S	*	.	S	Bend	trans	76.7	-9.9	-170.6	-52.7	-179.7	177.4	-178	-1.1	115.6	F67	F67-R69 VanDerWaalsContact C-N 3.28Å; F67-R69 VanDerWaalsContact CE1-CA 3.42Å; F67-R69 VanDerWaalsContact CZ-C 3.47Å; F67-R69 PolarHBondContact O-N 3.41Å
70	E	65.8	Low	62.7	Low	161 Å²	161	61.7 Å²	61.7	75%	0.752	30%	0.3	S	S	*	.	S	Bend	trans	-113.8	-41.9	175.1	-171.1	-177.7	176.2	0	0	111.1	D68	D68-E70 PolarHBondContact O-N 3.43Å; D68-E70 WeakPolarHBondContact OD1-CA 3.39Å; D68-E70 WeakPolarHBondContact OD1-CB 3.32Å; D68-E70 PolarHBondContact OD1-N 3.29Å
71	R	65.9	Low	63.2	Low	122 Å²	122	65.9 Å²	65.9	46%	0.46	31%	0.311	S	S	.	.			trans	-149.5	154.1	-169.5	51.3	-173	178.4	-175.6	-5.2	112.4	F67 D68	F67-R71 WeakPolarHBondContact CD2-O 3.36Å; D68-R71 PolarHBondContact N-O 3.14Å; D68-R71 VanDerWaalsContact OD1-CG 3.31Å; D68-R71 WeakPolarHBondContact OD1-CG 3.47Å; D68-R71 PolarHBondContact OD1-N 2.95Å; D68-R71 VanDerWaalsContact OD2-CG 3.3Å; D68-R71 WeakPolarHBondContact OD2-CG 3.44Å; D68-R71 IonicContact OD2-NE 3.47Å; D68-R71 PolarHBondContact OD2-NE 3.4Å
72	Y	68.6	Low	63.8	Low	27 Å²	27	68.6 Å²	68.6	11%	0.106	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.3	175	-72.1	-89.9	0	0	0	110.6	I30 K32 T35 V65 A66 F67	I30-Y72 PolarHBondContact N-O 2.98Å; K32-Y72 HydrophobicContact CG-CD2 4.36Å; K32-Y72 HydrophobicContact CG-CE2 3.98Å; T35-Y72 HydrophobicContact CG2-CD1 3.31Å; T35-Y72 HydrophobicContact CG2-CD2 4.09Å; T35-Y72 HydrophobicContact CG2-CE1 3.62Å; T35-Y72 HydrophobicContact CG2-CE2 4.38Å; T35-Y72 HydrophobicContact CG2-CG 3.54Å; T35-Y72 WeakPolarHBondContact OG1-CD2 3.34Å; T35-Y72 VanDerWaalsContact OG1-CE2 3.26Å; T35-Y72 WeakPolarHBondContact OG1-CE2 3.4Å; V65-Y72 HydrophobicContact CG1-CD1 4.03Å; A66-Y72 CarbonylContact O-C 3.58Å; A66-Y72 WeakPolarHBondContact O-CA 3.3Å; F67-Y72 HydrophobicContact CB-CD1 3.88Å; F67-Y72 HydrophobicContact CB-CE1 3.79Å; F67-Y72 AromaticContact CD2-CD1 3.91Å; F67-Y72 HydrophobicContact CD2-CD1 3.91Å; F67-Y72 AromaticContact CD2-CD2 3.62Å; F67-Y72 HydrophobicContact CD2-CD2 3.62Å; F67-Y72 AromaticContact CD2-CE1 3.9Å; F67-Y72 HydrophobicContact CD2-CE1 3.9Å; F67-Y72 AromaticContact CD2-CE2 3.56Å; F67-Y72 HydrophobicContact CD2-CE2 3.56Å; F67-Y72 AromaticContact CD2-CG 3.8Å; F67-Y72 HydrophobicContact CD2-CG 3.8Å; F67-Y72 AromaticContact CD2-CZ 3.72Å; F67-Y72 AromaticContact CE2-CD2 3.94Å; F67-Y72 HydrophobicContact CE2-CD2 3.94Å; F67-Y72 AromaticContact CE2-CE2 3.73Å; F67-Y72 HydrophobicContact CE2-CE2 3.73Å; F67-Y72 HydrophobicContact CG-CD1 4.24Å; F67-Y72 AromaticContact CG-CE1 3.98Å; F67-Y72 HydrophobicContact CG-CE1 3.98Å; F67-Y72 HydrophobicContact CG-CE2 4.33Å
73	T	67.3	Low	64.5	Low	8 Å²	8	65.5 Å²	65.5	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148	-178.9	61	0	0	0	0	110.8	R27 S28 F29 V65 A66	R27-T73 PolarHBondContact NH1-OG1 2.93Å; S28-T73 CarbonylContact O-C 3.39Å; S28-T73 VanDerWaalsContact O-CA 3.23Å; S28-T73 WeakPolarHBondContact O-CA 3.46Å; F29-T73 HydrophobicContact CD1-CG2 4.37Å; F29-T73 HydrophobicContact CE1-CG2 4.45Å; V65-T73 CarbonylContact C-O 3.48Å; V65-T73 WeakPolarHBondContact CA-O 3.3Å; A66-T73 PolarHBondContact N-O 3.2Å; A66-T73 PolarHBondContact O-N 3.03Å; A66-T73 PolarHBondContact O-OG1 3.5Å; A66-T73 VanDerWaalsContact O-OG1 3.13Å
74	V	67.6	Low	65.3	Low	2 Å²	2	72.6 Å²	72.6	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.5	176.3	173.5	0	0	0	0	111	R27 S28 I30 Y51 C63 G64 V65	R27-V74 CarbonylContact C-O 3.6Å; R27-V74 VanDerWaalsContact CA-O 3.26Å; R27-V74 WeakPolarHBondContact CA-O 3.49Å; S28-V74 PolarHBondContact N-O 2.96Å; S28-V74 PolarHBondContact O-N 3.47Å; I30-V74 HydrophobicContact CD1-CB 3.95Å; I30-V74 HydrophobicContact CD1-CG2 3.15Å; I30-V74 HydrophobicContact CG1-CB 4.48Å; I30-V74 HydrophobicContact CG1-CG2 3.86Å; Y51-V74 HydrophobicContact CD2-CG1 4.47Å; Y51-V74 HydrophobicContact CE2-CG1 3.42Å; Y51-V74 VanDerWaalsContact CE2-CG1 3.42Å; Y51-V74 WeakPolarHBondContact OH-CG1 3.36Å; Y51-V74 WeakPolarHBondContact OH-CG2 3.15Å; C63-V74 HydrophobicContact CB-CG1 3.62Å; G64-V74 VanDerWaalsContact O-CA 3.3Å; G64-V74 WeakPolarHBondContact O-CA 3.29Å; V65-V74 HydrophobicContact CB-CG2 4.26Å; V65-V74 HydrophobicContact CG1-CG2 4.34Å; V65-V74 HydrophobicContact CG2-CG2 3.74Å
75	S	63.9	Low	66	Low	48 Å²	48	74.5 Å²	74.5	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.8	174.8	58.6	0	0	0	0	111.7	C63 G64	C63-S75 WeakPolarHBondContact CA-OG 3.5Å; C63-S75 VanDerWaalsContact CB-O 3.22Å; C63-S75 WeakPolarHBondContact CB-O 3.38Å; C63-S75 WeakPolarHBondContact CB-OG 3.48Å; C63-S75 PolarHBondContact SG-O 2.99Å; G64-S75 PolarHBondContact N-OG 2.86Å; G64-S75 PolarHBondContact O-N 3.36Å; G64-S75 VanDerWaalsContact O-N 3.16Å
76	Q	61.5	Low	66.5	Low	5 Å²	5	78 Å²	78	2%	0.023	38%	0.375	C	S	.	.			trans	-71.4	129.6	179.4	-62.7	-70	7.9	0	0	110.5	L20 S28 W78 K79	L20-Q76 PolarHBondContact O-NE2 2.88Å; S28-Q76 PolarHBondContact OG-NE2 2.85Å; S28-Q76 PolarHBondContact OG-OE1 3.4Å; Q76-W78 HydrophobicContact CB-CH2 4.23Å; Q76-W78 HydrophobicContact CB-CZ2 3.87Å; Q76-W78 HydrophobicContact CG-CZ2 4.09Å; Q76-W78 PolarHBondContact O-N 3.48Å; Q76-K79 HydrophobicContact CB-CB 4.01Å; Q76-K79 HydrophobicContact CB-CD 4.04Å; Q76-K79 HydrophobicContact CB-CG 3.69Å; Q76-K79 HydrophobicContact CG-CD 4.15Å; Q76-K79 HydrophobicContact CG-CG 4.33Å; Q76-K79 PolarHBondContact O-N 3.22Å; Q76-K79 VanDerWaalsContact O-N 3.13Å
77	P	57.5	Low	67.2	Low	18 Å²	18	83.4 Å²	83.4	12%	0.117	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.1	-172.3	3.3	-9.1	0	0	0	114.8	I54 Q61 C63	I54-P77 HydrophobicContact CD1-CG 3.39Å; I54-P77 HydrophobicContact CG1-CG 4.05Å; Q61-P77 HydrophobicContact CB-CB 3.64Å; Q61-P77 VanDerWaalsContact CD-O 3.22Å; Q61-P77 HydrophobicContact CG-CB 4.46Å; Q61-P77 PolarHBondContact NE2-O 2.83Å; Q61-P77 PolarHBondContact OE1-O 3.1Å; C63-P77 VanDerWaalsContact SG-CA 3.57Å; C63-P77 VanDerWaalsContact SG-CB 3.55Å
78	W	60.2	Low	68	Low	102 Å²	102	81.3 Å²	81.3	39%	0.386	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.7	178.6	58.4	84.5	0	0	0	114.1	L21 I54 Q76 T80	L21-W78 HydrophobicContact CB-CH2 3.65Å; L21-W78 HydrophobicContact CB-CZ2 3.67Å; L21-W78 HydrophobicContact CD1-CH2 3.25Å; L21-W78 HydrophobicContact CD1-CZ2 3.92Å; L21-W78 HydrophobicContact CD1-CZ3 3.58Å; L21-W78 HydrophobicContact CD2-CH2 3.26Å; L21-W78 HydrophobicContact CD2-CZ2 4.14Å; L21-W78 HydrophobicContact CD2-CZ3 4.02Å; L21-W78 HydrophobicContact CG-CH2 3.47Å; L21-W78 VanDerWaalsContact CG-CH2 3.47Å; L21-W78 HydrophobicContact CG-CZ2 4.05Å; L21-W78 HydrophobicContact CG-CZ3 4.24Å; I54-W78 HydrophobicContact CD1-CZ3 4.25Å; I54-W78 HydrophobicContact CG2-CZ3 4.2Å; Q76-W78 HydrophobicContact CB-CH2 4.23Å; Q76-W78 HydrophobicContact CB-CZ2 3.87Å; Q76-W78 HydrophobicContact CG-CZ2 4.09Å; Q76-W78 PolarHBondContact O-N 3.48Å; W78-T80 PolarHBondContact O-N 2.8Å
79	K	56	Low	68.9	Low	38 Å²	38	83.9 Å²	83.9	17%	0.165	40%	0.397	C	S	.	.			trans	-87.9	88.3	176.2	-70.3	-158.1	170.5	-177	0	108.8	V23 S25 Q76 L83	V23-K79 PolarHBondContact O-NZ 3.39Å; S25-K79 PolarHBondContact O-NZ 2.86Å; Q76-K79 HydrophobicContact CB-CB 4.01Å; Q76-K79 HydrophobicContact CB-CD 4.04Å; Q76-K79 HydrophobicContact CB-CG 3.69Å; Q76-K79 HydrophobicContact CG-CD 4.15Å; Q76-K79 HydrophobicContact CG-CG 4.33Å; Q76-K79 PolarHBondContact O-N 3.22Å; Q76-K79 VanDerWaalsContact O-N 3.13Å; K79-L83 HydrophobicContact CB-CD1 3.57Å; K79-L83 HydrophobicContact CD-CD1 3.91Å; K79-L83 HydrophobicContact CG-CD1 3.68Å
80	T	60.5	Low	70	Confident	71 Å²	71	79.3 Å²	79.3	44%	0.436	39%	0.385	S	S	.	.			trans	-72.4	155.5	171.8	54.1	0	0	0	0	110.5	W78 D82 L83	W78-T80 PolarHBondContact O-N 2.8Å; T80-D82 PolarHBondContact O-N 2.87Å; T80-L83 WeakPolarHBondContact O-CG 3.37Å; T80-L83 PolarHBondContact O-N 3.41Å
81	E	62.3	Low	71.1	Confident	170 Å²	170	75.5 Å²	75.5	79%	0.794	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.3	168.5	-70.3	-165.2	-179.1	0	0	111.5	L83 R137	E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.44Å; E81-R137 PolarHBondContact O-NH1 2.85Å; E81-R137 PolarHBondContact O-NH2 3.16Å
82	D	66	Low	72	Confident	139 Å²	139	70.2 Å²	70.2	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	11.4	-179.9	-42.2	-47.6	0	0	0	114.2	T80 F84	T80-D82 PolarHBondContact O-N 2.87Å; D82-F84 PolarHBondContact O-N 2.85Å; D82-F84 VanDerWaalsContact O-N 3.13Å
83	L	68.1	Low	72.9	Confident	56 Å²	56	71.3 Å²	71.3	29%	0.293	36%	0.358	S	S	.	.			trans	-59.2	116.2	175.8	-84.3	164.7	0	0	0	112.1	K79 T80 E81 G136 R137	K79-L83 HydrophobicContact CB-CD1 3.57Å; K79-L83 HydrophobicContact CD-CD1 3.91Å; K79-L83 HydrophobicContact CG-CD1 3.68Å; T80-L83 WeakPolarHBondContact O-CG 3.37Å; T80-L83 PolarHBondContact O-N 3.41Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.44Å; L83-G136 VanDerWaalsContact O-O 3.09Å; L83-R137 PolarHBondContact O-NH1 3.36Å
84	F	76.2	Confident	74	Confident	151 Å²	151	74.5 Å²	74.5	66%	0.662	37%	0.372	S	S	*	.			trans	-112.8	110.3	171.5	-168.1	-88.8	0	0	0	110.7	D82 G136	D82-F84 PolarHBondContact O-N 2.85Å; D82-F84 VanDerWaalsContact O-N 3.13Å; F84-G136 CarbonylContact C-O 3.58Å; F84-G136 WeakPolarHBondContact CA-O 3.45Å
85	L	78.7	Confident	75	Confident	58 Å²	58	80.1 Å²	80.1	30%	0.304	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-91.6	129.7	175.6	-67.5	167.5	0	0	0	110.1	G136 W139	L85-G136 PolarHBondContact N-O 3.32Å; L85-G136 WeakPolarHBondContact O-CA 3.44Å; L85-W139 HydrophobicContact CB-CB 4.48Å; L85-W139 HydrophobicContact CD1-CB 4.04Å
86	P	79.2	Confident	76.1	Confident	85 Å²	85	80.9 Å²	80.9	55%	0.552	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-67.3	144.4	176.5	27.9	-33.5	0	0	0	110.9	N88	P86-N88 PolarHBondContact O-N 3.1Å
87	D	82.8	Confident	77.5	Confident	135 Å²	135	85.2 Å²	85.2	72%	0.722	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-64.7	116.9	175	-177.9	11.1	0	0	0	110.2	Y89	D87-Y89 WeakPolarHBondContact OD1-CB 3.46Å; D87-Y89 PolarHBondContact OD1-N 2.93Å
88	N	89.1	Confident	79	Confident	13 Å²	13	90 Å²	90	7%	0.07	43%	0.433	C	S	.	.			trans	-114.7	10	178.6	82	-31	0	0	0	112.7	P86 H90 M91 A92 W139 C140	P86-N88 PolarHBondContact O-N 3.1Å; N88-H90 VanDerWaalsContact C-N 3.27Å; N88-H90 PolarHBondContact O-N 3.47Å; N88-M91 HydrophobicContact CB-CE 4.21Å; N88-M91 PolarHBondContact O-N 3.16Å; N88-A92 PolarHBondContact O-N 3.19Å; N88-W139 VanDerWaalsContact CG-CD1 3.44Å; N88-W139 PolarHBondContact ND2-NE1 3.36Å; N88-W139 VanDerWaalsContact ND2-NE1 3.16Å; N88-C140 PolarHBondContact ND2-O 3.5Å; N88-C140 PolarHBondContact OD1-N 2.91Å
89	Y	85.4	Confident	80.2	Confident	128 Å²	128	85.5 Å²	85.5	50%	0.502	42%	0.416	S	S	.	.	H	α-helix	trans	-54.8	-43.7	-174.5	176.5	-100.5	0	0	0	111.8	D87 M91 A92 L93	D87-Y89 WeakPolarHBondContact OD1-CB 3.46Å; D87-Y89 PolarHBondContact OD1-N 2.93Å; Y89-M91 VanDerWaalsContact C-N 3.35Å; Y89-M91 PolarHBondContact O-N 2.89Å; Y89-A92 PolarHBondContact O-N 2.95Å; Y89-L93 HydrophobicContact CE1-CD2 3.98Å; Y89-L93 VanDerWaalsContact O-CB 3.3Å; Y89-L93 WeakPolarHBondContact O-CB 3.42Å; Y89-L93 PolarHBondContact O-N 3.3Å
90	H	88.5	Confident	81.8	Confident	129 Å²	129	89 Å²	89	60%	0.597	43%	0.433	S	S	*	.	H	α-helix	trans	-58	-46.2	178.6	-173.2	84.7	0	0	0	112	N88 L93 Q94	N88-H90 VanDerWaalsContact C-N 3.27Å; N88-H90 PolarHBondContact O-N 3.47Å; H90-L93 PolarHBondContact O-N 3.36Å; H90-Q94 VanDerWaalsContact O-CG 3.3Å; H90-Q94 WeakPolarHBondContact O-CG 3.23Å; H90-Q94 PolarHBondContact O-N 3.17Å
91	M	88.3	Confident	83.2	Confident	81 Å²	81	88.8 Å²	88.8	40%	0.399	43%	0.432	S	S	.	.	H	α-helix	trans	-65.1	-45.2	179.1	-179.2	-168.2	65.7	0	0	111.6	N88 Y89 L93 Q94 R95 P142	N88-M91 HydrophobicContact CB-CE 4.21Å; N88-M91 PolarHBondContact O-N 3.16Å; Y89-M91 VanDerWaalsContact C-N 3.35Å; Y89-M91 PolarHBondContact O-N 2.89Å; M91-L93 VanDerWaalsContact C-N 3.32Å; M91-L93 PolarHBondContact O-N 3.31Å; M91-Q94 PolarHBondContact O-N 3.36Å; M91-R95 PolarHBondContact O-N 3.47Å; M91-R95 VanDerWaalsContact O-N 3.07Å; M91-P142 HydrophobicContact CE-CG 3.73Å
92	A	84.3	Confident	84.3	Confident	10 Å²	10	86.5 Å²	86.5	8%	0.083	42%	0.416	C	S	.	.	H	α-helix	trans	-61.3	-42.7	178.4	0	0	0	0	0	111.3	N88 Y89 R95 L96 C140	N88-A92 PolarHBondContact O-N 3.19Å; Y89-A92 PolarHBondContact O-N 2.95Å; A92-R95 PolarHBondContact O-N 2.99Å; A92-L96 PolarHBondContact O-N 3.07Å; A92-C140 HydrophobicContact CB-CB 3.55Å
93	L	87.8	Confident	85.2	Confident	51 Å²	51	80.3 Å²	80.3	27%	0.267	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-41.7	176.4	-177.9	62.4	0	0	0	112.3	Y89 H90 M91 R95 L96 K97	Y89-L93 HydrophobicContact CE1-CD2 3.98Å; Y89-L93 VanDerWaalsContact O-CB 3.3Å; Y89-L93 WeakPolarHBondContact O-CB 3.42Å; Y89-L93 PolarHBondContact O-N 3.3Å; H90-L93 PolarHBondContact O-N 3.36Å; M91-L93 VanDerWaalsContact C-N 3.32Å; M91-L93 PolarHBondContact O-N 3.31Å; L93-R95 VanDerWaalsContact C-N 3.35Å; L93-R95 PolarHBondContact O-N 3.34Å; L93-L96 WeakPolarHBondContact O-CB 3.49Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 2.98Å
94	Q	90.3	Very high	86.1	Confident	74 Å²	74	81.8 Å²	81.8	35%	0.346	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-42.6	176	-72	-65.2	-12.9	0	0	111.9	H90 M91 L96 K97 Q98	H90-Q94 VanDerWaalsContact O-CG 3.3Å; H90-Q94 WeakPolarHBondContact O-CG 3.23Å; H90-Q94 PolarHBondContact O-N 3.17Å; M91-Q94 PolarHBondContact O-N 3.36Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.31Å; Q94-K97 PolarHBondContact O-N 3.27Å; Q94-Q98 WeakPolarHBondContact O-CG 3.25Å; Q94-Q98 PolarHBondContact O-N 3.43Å
95	R	88.4	Confident	86.6	Confident	121 Å²	121	83.9 Å²	83.9	46%	0.457	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-35.3	175.8	-79.1	177.4	171	-164.3	12.8	112.6	M91 A92 L93 Q98 T99 P142	M91-R95 PolarHBondContact O-N 3.47Å; M91-R95 VanDerWaalsContact O-N 3.07Å; A92-R95 PolarHBondContact O-N 2.99Å; L93-R95 VanDerWaalsContact C-N 3.35Å; L93-R95 PolarHBondContact O-N 3.34Å; R95-Q98 PolarHBondContact O-N 3.31Å; R95-T99 PolarHBondContact O-N 3.48Å; R95-T99 PolarHBondContact O-OG1 2.9Å; R95-P142 HydrophobicContact CB-CB 4.12Å; R95-P142 HydrophobicContact CG-CB 4.3Å
96	L	87	Confident	86.9	Confident	63 Å²	63	82.1 Å²	82.1	33%	0.33	40%	0.397	S	S	.	.	H	α-helix	trans	-61.7	-50.6	172.5	178.6	61	0	0	0	111.2	A92 L93 Q94 Q98 T99 E100 H143	A92-L96 PolarHBondContact O-N 3.07Å; L93-L96 WeakPolarHBondContact O-CB 3.49Å; L93-L96 PolarHBondContact O-N 3.49Å; Q94-L96 VanDerWaalsContact C-N 3.33Å; Q94-L96 PolarHBondContact O-N 3.31Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 3.03Å; L96-T99 CarbonylContact O-C 3.58Å; L96-T99 WeakPolarHBondContact O-CA 3.37Å; L96-T99 WeakPolarHBondContact O-CB 3.18Å; L96-T99 PolarHBondContact O-N 2.72Å; L96-E100 HydrophobicContact CD1-CG 4.46Å; L96-E100 PolarHBondContact O-N 3.37Å; L96-H143 HydrophobicContact CB-CB 4.49Å; L96-H143 HydrophobicContact CD1-CB 4.05Å
97	K	91.2	Very high	87.2	Confident	97 Å²	97	82 Å²	82	42%	0.422	40%	0.404	S	S	.	.	H	α-helix	trans	-57.1	-40.9	177.6	-71.2	177.3	177.8	-177.2	0	112.8	L93 Q94 T99 E100 T101	L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 2.98Å; Q94-K97 PolarHBondContact O-N 3.27Å; K97-T99 VanDerWaalsContact C-N 3.32Å; K97-E100 PolarHBondContact O-N 2.58Å; K97-T101 WeakPolarHBondContact O-CB 3.46Å; K97-T101 PolarHBondContact O-N 3.47Å; K97-T101 PolarHBondContact O-OG1 2.88Å
98	Q	89.1	Confident	87.3	Confident	119 Å²	119	80.4 Å²	80.4	56%	0.556	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-39	175.2	-71.3	174.9	16.4	0	0	111.8	Q94 R95 L96 T101 R102	Q94-Q98 WeakPolarHBondContact O-CG 3.25Å; Q94-Q98 PolarHBondContact O-N 3.43Å; R95-Q98 PolarHBondContact O-N 3.31Å; L96-Q98 VanDerWaalsContact C-N 3.29Å; L96-Q98 PolarHBondContact O-N 3.03Å; Q98-T101 PolarHBondContact O-N 3Å; Q98-R102 WeakPolarHBondContact O-CG 3.18Å; Q98-R102 PolarHBondContact O-N 3.34Å
99	T	85.5	Confident	87.1	Confident	7 Å²	7	82.1 Å²	82.1	4%	0.043	41%	0.412	C	S	.	.	H	α-helix	trans	-65.1	-45.5	175.5	-58.7	0	0	0	0	111.1	R95 L96 K97 T101 R102 L103 M145	R95-T99 PolarHBondContact O-N 3.48Å; R95-T99 PolarHBondContact O-OG1 2.9Å; L96-T99 CarbonylContact O-C 3.58Å; L96-T99 WeakPolarHBondContact O-CA 3.37Å; L96-T99 WeakPolarHBondContact O-CB 3.18Å; L96-T99 PolarHBondContact O-N 2.72Å; K97-T99 VanDerWaalsContact C-N 3.32Å; T99-T101 VanDerWaalsContact C-N 3.29Å; T99-T101 PolarHBondContact O-N 3.41Å; T99-R102 WeakPolarHBondContact O-CB 3.37Å; T99-R102 PolarHBondContact O-N 2.99Å; T99-R102 VanDerWaalsContact O-N 3.08Å; T99-L103 HydrophobicContact CG2-CD1 4.04Å; T99-L103 HydrophobicContact CG2-CG 4.39Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.05Å; T99-L103 PolarHBondContact O-N 3.39Å; T99-M145 HydrophobicContact CG2-CB 4.38Å
100	E	89.3	Confident	87.1	Confident	112 Å²	112	78.3 Å²	78.3	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-58.3	-42.1	174.5	-69.1	176.9	150.2	0	0	111.9	L96 K97 R102 L103 S104	L96-E100 HydrophobicContact CD1-CG 4.46Å; L96-E100 PolarHBondContact O-N 3.37Å; K97-E100 PolarHBondContact O-N 2.58Å; E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 PolarHBondContact O-N 2.91Å; E100-L103 PolarHBondContact O-N 3.45Å; E100-S104 PolarHBondContact O-N 3.41Å
101	T	90.5	Very high	87.1	Confident	66 Å²	66	75.8 Å²	75.8	41%	0.405	39%	0.394	S	S	.	.	H	α-helix	trans	-63.7	-36.4	175.5	-55.2	0	0	0	0	112.1	K97 Q98 T99 S104 R105	K97-T101 WeakPolarHBondContact O-CB 3.46Å; K97-T101 PolarHBondContact O-N 3.47Å; K97-T101 PolarHBondContact O-OG1 2.88Å; Q98-T101 PolarHBondContact O-N 3Å; T99-T101 VanDerWaalsContact C-N 3.29Å; T99-T101 PolarHBondContact O-N 3.41Å; T101-S104 PolarHBondContact O-OG 3.09Å; T101-R105 WeakPolarHBondContact O-CG 3.23Å
102	R	85.5	Confident	86.9	Confident	121 Å²	121	74.5 Å²	74.5	46%	0.457	40%	0.396	S	S	.	.	H	α-helix	trans	-69	-39.8	173.9	-74.3	173.2	63.3	-155.8	-0.6	111.4	Q98 T99 E100 R105	Q98-R102 WeakPolarHBondContact O-CG 3.18Å; Q98-R102 PolarHBondContact O-N 3.34Å; T99-R102 WeakPolarHBondContact O-CB 3.37Å; T99-R102 PolarHBondContact O-N 2.99Å; T99-R102 VanDerWaalsContact O-N 3.08Å; E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 PolarHBondContact O-N 2.91Å; R102-R105 PolarHBondContact O-N 3.05Å
103	L	85.3	Confident	86.8	Confident	9 Å²	9	75.6 Å²	75.6	5%	0.047	40%	0.399	C	S	.	.	H	α-helix	trans	-68.6	-35.1	179.2	-70.1	170	0	0	0	112.6	T99 E100 R105 G106 L109 N110 H113 M145	T99-L103 HydrophobicContact CG2-CD1 4.04Å; T99-L103 HydrophobicContact CG2-CG 4.39Å; T99-L103 VanDerWaalsContact O-CG 3.28Å; T99-L103 WeakPolarHBondContact O-CG 3.05Å; T99-L103 PolarHBondContact O-N 3.39Å; E100-L103 PolarHBondContact O-N 3.45Å; L103-R105 PolarHBondContact O-N 2.89Å; L103-G106 PolarHBondContact O-N 3.13Å; L103-L109 HydrophobicContact CD2-CD2 4.31Å; L103-L109 HydrophobicContact CD2-CG 3.9Å; L103-N110 WeakPolarHBondContact O-CB 3.34Å; L103-N110 PolarHBondContact O-ND2 3.3Å; L103-H113 HydrophobicContact CD1-CB 4.19Å; L103-H113 WeakPolarHBondContact CD1-CD2 3.01Å; L103-H113 HydrophobicContact CD2-CB 3.63Å; L103-M145 HydrophobicContact CD2-CE 3.57Å; L103-M145 HydrophobicContact CD2-SD 3.66Å; L103-M145 HydrophobicContact CG-CE 4.38Å
104	S	85.9	Confident	86.8	Confident	88 Å²	88	80.9 Å²	80.9	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-65.8	-21.9	178.1	66.7	0	0	0	0	113	E100 T101 G106	E100-S104 PolarHBondContact O-N 3.41Å; T101-S104 PolarHBondContact O-OG 3.09Å; S104-G106 VanDerWaalsContact C-N 3.35Å
105	R	87.4	Confident	86.7	Confident	194 Å²	194	83.2 Å²	83.2	73%	0.732	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.2	178.3	-65.2	172.1	-173.1	154.9	1.2	114.1	T101 R102 L103	T101-R105 WeakPolarHBondContact O-CG 3.23Å; R102-R105 PolarHBondContact O-N 3.05Å; L103-R105 PolarHBondContact O-N 2.89Å
106	G	85	Confident	86.5	Confident	21 Å²	21	81.2 Å²	81.2	22%	0.216	42%	0.423	C	S	.	.			trans	-138.4	106.6	-176.2	0	0	0	0	0	112.1	L103 S104 S108 L109 N110	L103-G106 PolarHBondContact O-N 3.13Å; S104-G106 VanDerWaalsContact C-N 3.35Å; G106-S108 PolarHBondContact O-N 3.41Å; G106-L109 PolarHBondContact O-N 3.46Å; G106-N110 WeakPolarHBondContact O-CB 3.17Å; G106-N110 PolarHBondContact O-N 3.1Å
107	A	85.4	Confident	86.4	Confident	83 Å²	83	81 Å²	81	69%	0.686	42%	0.421	S	S	*	.	H	α-helix	trans	-59	-45.7	-176.2	0	0	0	0	0	112.9	L109 N110 T111	A107-L109 PolarHBondContact O-N 3.34Å; A107-N110 PolarHBondContact O-N 2.99Å; A107-T111 PolarHBondContact O-N 3.3Å; A107-T111 PolarHBondContact O-OG1 2.9Å; A107-T111 VanDerWaalsContact O-OG1 3.1Å
108	S	85.2	Confident	86.2	Confident	102 Å²	102	80.2 Å²	80.2	71%	0.713	42%	0.421	S	S	*	.	H	α-helix	trans	-61.7	-43.1	178	53.9	0	0	0	0	112.3	G106 T111 A112	G106-S108 PolarHBondContact O-N 3.41Å; S108-T111 PolarHBondContact O-N 2.83Å; S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.25Å
109	L	83.1	Confident	86	Confident	49 Å²	49	78.7 Å²	78.7	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-38.7	178.3	-175.4	63.7	0	0	0	111.9	L103 G106 A107 H113 M145 V147	L103-L109 HydrophobicContact CD2-CD2 4.31Å; L103-L109 HydrophobicContact CD2-CG 3.9Å; G106-L109 PolarHBondContact O-N 3.46Å; A107-L109 PolarHBondContact O-N 3.34Å; L109-H113 VanDerWaalsContact O-CB 3.3Å; L109-H113 WeakPolarHBondContact O-CB 3.2Å; L109-H113 PolarHBondContact O-N 3.27Å; L109-M145 HydrophobicContact CD1-CE 3.81Å; L109-M145 HydrophobicContact CD1-SD 4.05Å; L109-M145 HydrophobicContact CD2-CE 3.72Å; L109-M145 HydrophobicContact CG-CE 3.85Å; L109-M145 HydrophobicContact CG-SD 4.38Å; L109-V147 HydrophobicContact CD1-CB 4.45Å; L109-V147 HydrophobicContact CD1-CG1 4.09Å; L109-V147 HydrophobicContact CD1-CG2 3.46Å; L109-V147 VanDerWaalsContact CD1-CG2 3.46Å
110	N	86.5	Confident	85.7	Confident	47 Å²	47	82.6 Å²	82.6	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-61.7	-48.1	175.1	-161.6	-59.1	0	0	0	111.7	L103 G106 A107 H113 R114	L103-N110 WeakPolarHBondContact O-CB 3.34Å; L103-N110 PolarHBondContact O-ND2 3.3Å; G106-N110 WeakPolarHBondContact O-CB 3.17Å; G106-N110 PolarHBondContact O-N 3.1Å; A107-N110 PolarHBondContact O-N 2.99Å; N110-H113 PolarHBondContact O-N 2.92Å; N110-R114 WeakPolarHBondContact O-CB 3.38Å; N110-R114 PolarHBondContact O-N 3.37Å
111	T	87.9	Confident	85.4	Confident	76 Å²	76	81.7 Å²	81.7	47%	0.466	43%	0.425	S	S	.	.	H	α-helix	trans	-59.4	-50.6	177.8	-58.9	0	0	0	0	110.8	A107 S108 H113 R114 E115	A107-T111 PolarHBondContact O-N 3.3Å; A107-T111 PolarHBondContact O-OG1 2.9Å; A107-T111 VanDerWaalsContact O-OG1 3.1Å; S108-T111 PolarHBondContact O-N 2.83Å; T111-H113 VanDerWaalsContact C-N 3.32Å; T111-H113 PolarHBondContact O-N 2.92Å; T111-R114 PolarHBondContact O-N 3.47Å; T111-E115 WeakPolarHBondContact O-CG 3.45Å; T111-E115 PolarHBondContact O-N 2.79Å
112	A	84.1	Confident	85	Confident	54 Å²	54	87.8 Å²	87.8	45%	0.446	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-41.5	178.3	0	0	0	0	0	112.3	S108 E115 E116	S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.25Å; A112-E115 PolarHBondContact O-N 2.89Å; A112-E116 PolarHBondContact O-N 3.31Å; A112-E116 VanDerWaalsContact O-N 3.1Å
113	H	83.1	Confident	84.8	Confident	33 Å²	33	86.1 Å²	86.1	15%	0.153	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-44.7	176.5	-173.7	67.3	0	0	0	112.2	L103 L109 N110 T111 E116 M117 H143 M145	L103-H113 HydrophobicContact CD1-CB 4.19Å; L103-H113 WeakPolarHBondContact CD1-CD2 3.01Å; L103-H113 HydrophobicContact CD2-CB 3.63Å; L109-H113 VanDerWaalsContact O-CB 3.3Å; L109-H113 WeakPolarHBondContact O-CB 3.2Å; L109-H113 PolarHBondContact O-N 3.27Å; N110-H113 PolarHBondContact O-N 2.92Å; T111-H113 VanDerWaalsContact C-N 3.32Å; T111-H113 PolarHBondContact O-N 2.92Å; H113-E116 PolarHBondContact O-N 3.04Å; H113-M117 WeakPolarHBondContact O-CB 3.18Å; H113-M117 WeakPolarHBondContact O-CG 3.47Å; H113-M117 PolarHBondContact O-N 3.44Å; H113-H143 AromaticContact CE1-CE1 3.67Å; H113-H143 AromaticContact CE1-NE2 3.16Å; H113-H143 PolarHBondContact CE1-NE2 3.48Å; H113-H143 AromaticContact NE2-CE1 3.95Å; H113-H143 AromaticContact NE2-NE2 3.17Å; H113-H143 PolarHBondContact NE2-NE2 3.45Å; H113-H143 VanDerWaalsContact NE2-NE2 3.17Å; H113-M145 HydrophobicContact CB-SD 3.93Å; H113-M145 PolarHBondContact ND1-SD 3.05Å; H113-M145 VanDerWaalsContact ND1-SD 3.37Å
114	R	87.6	Confident	84.4	Confident	162 Å²	162	88.9 Å²	88.9	61%	0.611	47%	0.471	S	S	*	.	H	α-helix	trans	-62.9	-43.2	178.9	-177	-179.5	-69.1	-167.6	-2.4	111.4	N110 T111 M117 N118	N110-R114 WeakPolarHBondContact O-CB 3.38Å; N110-R114 PolarHBondContact O-N 3.37Å; T111-R114 PolarHBondContact O-N 3.47Å; R114-M117 PolarHBondContact O-N 3Å; R114-N118 WeakPolarHBondContact O-CB 3.41Å; R114-N118 VanDerWaalsContact O-CG 3.27Å; R114-N118 PolarHBondContact O-N 3.37Å; R114-N118 PolarHBondContact O-ND2 2.85Å
115	E	87.9	Confident	83.7	Confident	124 Å²	124	92 Å²	92	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-60.4	-45.9	177.1	-74.3	175.1	176.4	0	0	111.7	T111 A112 N118 K119	T111-E115 WeakPolarHBondContact O-CG 3.45Å; T111-E115 PolarHBondContact O-N 2.79Å; A112-E115 PolarHBondContact O-N 2.89Å; E115-N118 PolarHBondContact O-N 2.91Å; E115-K119 PolarHBondContact O-N 2.88Å
116	E	84.1	Confident	83.2	Confident	78 Å²	78	85.9 Å²	85.9	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-68.5	-41.2	179.5	-164	64	-157.5	0	0	111.7	A112 H113 N118 K119 Y120	A112-E116 PolarHBondContact O-N 3.31Å; A112-E116 VanDerWaalsContact O-N 3.1Å; H113-E116 PolarHBondContact O-N 3.04Å; E116-N118 VanDerWaalsContact C-N 3.35Å; E116-N118 PolarHBondContact O-N 3.14Å; E116-K119 WeakPolarHBondContact O-CB 3.35Å; E116-K119 PolarHBondContact O-N 3.44Å; E116-K119 VanDerWaalsContact O-N 3.14Å; E116-K119 IonicContact OE1-NZ 3.94Å; E116-K119 PolarHBondContact OE1-NZ 3.35Å; E116-K119 IonicContact OE2-NZ 2.68Å; E116-K119 PolarHBondContact OE2-NZ 2.73Å; E116-Y120 HydrophobicContact CG-CD2 4.28Å; E116-Y120 HydrophobicContact CG-CE2 3.84Å; E116-Y120 WeakPolarHBondContact O-CD2 3.15Å; E116-Y120 PolarHBondContact O-N 3.38Å
117	M	84.3	Confident	82.9	Confident	60 Å²	60	92.9 Å²	92.9	30%	0.296	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-43.5	173.9	-74.4	-61.7	-61.7	0	0	112	H113 R114 K119 Y120 I121	H113-M117 WeakPolarHBondContact O-CB 3.18Å; H113-M117 WeakPolarHBondContact O-CG 3.47Å; H113-M117 PolarHBondContact O-N 3.44Å; R114-M117 PolarHBondContact O-N 3Å; M117-K119 VanDerWaalsContact C-N 3.26Å; M117-K119 PolarHBondContact O-N 2.84Å; M117-Y120 PolarHBondContact O-N 3.16Å; M117-Y120 VanDerWaalsContact O-N 3.16Å; M117-I121 WeakPolarHBondContact O-CG1 3.37Å; M117-I121 PolarHBondContact O-N 3.24Å
118	N	87.5	Confident	82.7	Confident	80 Å²	80	98 Å²	98	43%	0.428	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-32.2	176.1	-77.6	-20.5	0	0	0	112.4	R114 E115 E116 I121 R122	R114-N118 WeakPolarHBondContact O-CB 3.41Å; R114-N118 VanDerWaalsContact O-CG 3.27Å; R114-N118 PolarHBondContact O-N 3.37Å; R114-N118 PolarHBondContact O-ND2 2.85Å; E115-N118 PolarHBondContact O-N 2.91Å; E116-N118 VanDerWaalsContact C-N 3.35Å; E116-N118 PolarHBondContact O-N 3.14Å; N118-I121 PolarHBondContact O-N 2.69Å; N118-R122 VanDerWaalsContact O-CB 3.22Å; N118-R122 WeakPolarHBondContact O-CB 3.27Å; N118-R122 PolarHBondContact O-N 3.18Å
119	K	84.8	Confident	82.2	Confident	87 Å²	87	97.7 Å²	97.7	38%	0.378	48%	0.482	S	S	.	.	H	α-helix	trans	-66.6	-42.7	172.9	178.3	-176.4	161.2	-152.3	0	111.4	E115 E116 M117 I121 R122 N123	E115-K119 PolarHBondContact O-N 2.88Å; E116-K119 WeakPolarHBondContact O-CB 3.35Å; E116-K119 PolarHBondContact O-N 3.44Å; E116-K119 VanDerWaalsContact O-N 3.14Å; E116-K119 IonicContact OE1-NZ 3.94Å; E116-K119 PolarHBondContact OE1-NZ 3.35Å; E116-K119 IonicContact OE2-NZ 2.68Å; E116-K119 PolarHBondContact OE2-NZ 2.73Å; M117-K119 VanDerWaalsContact C-N 3.26Å; M117-K119 PolarHBondContact O-N 2.84Å; K119-I121 VanDerWaalsContact C-N 3.35Å; K119-I121 PolarHBondContact O-N 2.92Å; K119-R122 PolarHBondContact O-N 3.45Å; K119-N123 VanDerWaalsContact O-CB 3.27Å; K119-N123 WeakPolarHBondContact O-CB 3.22Å; K119-N123 PolarHBondContact O-N 3.39Å; K119-N123 PolarHBondContact O-OD1 2.87Å
120	Y	78.9	Confident	81.6	Confident	89 Å²	89	102.7 Å²	102.7	35%	0.349	51%	0.509	S	S	.	.	H	α-helix	trans	-60.1	-43.1	173.1	-78.1	-74.3	0	0	0	112.6	E116 M117 N123 G124 R125 V126	E116-Y120 HydrophobicContact CG-CD2 4.28Å; E116-Y120 HydrophobicContact CG-CE2 3.84Å; E116-Y120 WeakPolarHBondContact O-CD2 3.15Å; E116-Y120 PolarHBondContact O-N 3.38Å; M117-Y120 PolarHBondContact O-N 3.16Å; M117-Y120 VanDerWaalsContact O-N 3.16Å; Y120-N123 PolarHBondContact O-N 3.06Å; Y120-G124 PolarHBondContact O-N 2.72Å; Y120-R125 HydrophobicContact CD1-CB 3.83Å; Y120-R125 HydrophobicContact CD1-CG 4.38Å; Y120-R125 PolarHBondContact O-N 2.78Å; Y120-V126 HydrophobicContact CG-CG2 4.49Å; Y120-V126 PolarHBondContact O-N 3.46Å
121	I	83.5	Confident	80.5	Confident	92 Å²	92	110.8 Å²	110.8	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-50.5	177.8	-65.4	165.9	0	0	0	110.8	M117 N118 K119 N123 G124	M117-I121 WeakPolarHBondContact O-CG1 3.37Å; M117-I121 PolarHBondContact O-N 3.24Å; N118-I121 PolarHBondContact O-N 2.69Å; K119-I121 VanDerWaalsContact C-N 3.35Å; K119-I121 PolarHBondContact O-N 2.92Å; I121-N123 PolarHBondContact O-N 3.39Å; I121-G124 PolarHBondContact O-N 2.97Å
122	R	82.5	Confident	79.5	Confident	194 Å²	194	117.1 Å²	117.1	73%	0.732	56%	0.557	S	S	*	*	H	α-helix	trans	-59.9	-36.5	-179.5	-167.2	-167.7	-27.9	-170	8.8	112.4	N118 K119 G124	N118-R122 VanDerWaalsContact O-CB 3.22Å; N118-R122 WeakPolarHBondContact O-CB 3.27Å; N118-R122 PolarHBondContact O-N 3.18Å; K119-R122 PolarHBondContact O-N 3.45Å; R122-G124 PolarHBondContact O-N 2.85Å
123	N	80.6	Confident	78.9	Confident	86 Å²	86	116.5 Å²	116.5	46%	0.46	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	7.2	179.2	-63.6	0.7	0	0	0	112.7	K119 Y120 I121 R125	K119-N123 VanDerWaalsContact O-CB 3.27Å; K119-N123 WeakPolarHBondContact O-CB 3.22Å; K119-N123 PolarHBondContact O-N 3.39Å; K119-N123 PolarHBondContact O-OD1 2.87Å; Y120-N123 PolarHBondContact O-N 3.06Å; I121-N123 PolarHBondContact O-N 3.39Å; N123-R125 HydrophobicContact CB-CG 4.28Å; N123-R125 PolarHBondContact O-N 3.18Å
124	G	77.7	Confident	78.5	Confident	67 Å²	67	121.3 Å²	121.3	69%	0.691	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	15.9	178.2	0	0	0	0	0	114.5	Y120 I121 R122	Y120-G124 PolarHBondContact O-N 2.72Å; I121-G124 PolarHBondContact O-N 2.97Å; R122-G124 PolarHBondContact O-N 2.85Å
125	R	69.7	Low	77.9	Confident	153 Å²	153	121.9 Å²	121.9	58%	0.577	59%	0.591	S	S	*	*	S	Bend	trans	-83	-22.4	-179.3	-66.2	-175.7	177.3	179.7	-3.3	112.6	Y120 N123	Y120-R125 HydrophobicContact CD1-CB 3.83Å; Y120-R125 HydrophobicContact CD1-CG 4.38Å; Y120-R125 PolarHBondContact O-N 2.78Å; N123-R125 HydrophobicContact CB-CG 4.28Å; N123-R125 PolarHBondContact O-N 3.18Å
126	V	78.5	Confident	77.3	Confident	67 Å²	67	116.2 Å²	116.2	41%	0.406	57%	0.567	S	S	.	*			trans	-136.4	127.4	177.6	178.7	0	0	0	0	108.2	Y120	Y120-V126 HydrophobicContact CG-CG2 4.49Å; Y120-V126 PolarHBondContact O-N 3.46Å
127	E	79	Confident	76.9	Confident	167 Å²	167	118 Å²	118	78%	0.78	57%	0.57	S	S	*	*			trans	-113.9	154.3	172.5	65.2	175.9	-168.2	0	0	110.9	T129	E127-T129 PolarHBondContact O-N 2.98Å
128	K	80	Confident	76.5	Confident	190 Å²	190	117.7 Å²	117.7	83%	0.826	57%	0.572	S	S	*	*			trans	-76.4	114.7	171.2	-169	175.8	-177.2	-179.8	0	108.2
129	T	76	Confident	76.1	Confident	97 Å²	97	119.5 Å²	119.5	60%	0.595	57%	0.572	S	S	*	*			trans	-85.5	134	175.6	178.7	0	0	0	0	111.5	E127 R131	E127-T129 PolarHBondContact O-N 2.98Å; T129-R131 PolarHBondContact OG1-N 2.88Å; T129-R131 VanDerWaalsContact OG1-N 3.13Å; T129-R131 PolarHBondContact OG1-O 3.11Å
130	N	70.5	Confident	75.9	Confident	154 Å²	154	117.3 Å²	117.3	82%	0.824	57%	0.567	S	S	*	*			trans	-101.7	-2.8	171.9	-56.1	-15.7	0	0	0	111.7
131	R	62	Low	75.9	Confident	217 Å²	217	120 Å²	120	82%	0.819	59%	0.587	S	S	*	*	S	Bend	trans	-113	128	-173.6	-73.4	-179.5	149.8	-167.3	-7.7	109.3	T129 G133	T129-R131 PolarHBondContact OG1-N 2.88Å; T129-R131 VanDerWaalsContact OG1-N 3.13Å; T129-R131 PolarHBondContact OG1-O 3.11Å; R131-G133 PolarHBondContact O-N 3.12Å
132	K	67.8	Low	75.5	Confident	209 Å²	209	116.6 Å²	116.6	91%	0.909	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.8	156.8	-75.7	-174	175.5	-174.9	0	106.1
133	G	70.9	Confident	75.4	Confident	41 Å²	41	109.9 Å²	109.9	42%	0.423	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.9	169.4	176.1	0	0	0	0	0	110.6	R131 E135 T138	R131-G133 PolarHBondContact O-N 3.12Å; G133-E135 PolarHBondContact O-N 2.96Å; G133-T138 WeakPolarHBondContact CA-OG1 3.41Å
134	L	74	Confident	74.9	Confident	133 Å²	133	112.4 Å²	112.4	70%	0.696	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.9	128	178.7	-69.5	170.1	0	0	0	110.3	R137 T138	L134-R137 HydrophobicContact CB-CB 3.73Å; L134-R137 HydrophobicContact CB-CG 4.07Å; L134-R137 CarbonylContact O-C 3.57Å; L134-R137 WeakPolarHBondContact O-CA 3.36Å; L134-R137 PolarHBondContact O-N 2.85Å; L134-T138 PolarHBondContact N-OG1 3.47Å; L134-T138 WeakPolarHBondContact O-CB 3.37Å; L134-T138 PolarHBondContact O-N 2.98Å; L134-T138 PolarHBondContact O-OG1 3.46Å
135	E	76.2	Confident	74.5	Confident	174 Å²	174	110.2 Å²	110.2	81%	0.813	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	140.3	174.2	-171.4	171.2	-169.7	0	0	109.8	G133 R137	G133-E135 PolarHBondContact O-N 2.96Å; E135-R137 PolarHBondContact O-N 2.78Å; E135-R137 VanDerWaalsContact O-N 3.1Å
136	G	75.5	Confident	74.5	Confident	6 Å²	6	107.4 Å²	107.4	6%	0.062	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	71.4	-4.6	-172.5	0	0	0	0	0	114.7	L83 F84 L85	L83-G136 VanDerWaalsContact O-O 3.09Å; F84-G136 CarbonylContact C-O 3.58Å; F84-G136 WeakPolarHBondContact CA-O 3.45Å; L85-G136 PolarHBondContact N-O 3.32Å; L85-G136 WeakPolarHBondContact O-CA 3.44Å
137	R	74.5	Confident	73.9	Confident	116 Å²	116	107.1 Å²	107.1	44%	0.438	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-3.4	-177.4	-61.1	-63.2	-150.4	-169.6	6.9	114	E81 L83 L134 E135	E81-R137 PolarHBondContact O-NH1 2.85Å; E81-R137 PolarHBondContact O-NH2 3.16Å; L83-R137 PolarHBondContact O-NH1 3.36Å; L134-R137 HydrophobicContact CB-CB 3.73Å; L134-R137 HydrophobicContact CB-CG 4.07Å; L134-R137 CarbonylContact O-C 3.57Å; L134-R137 WeakPolarHBondContact O-CA 3.36Å; L134-R137 PolarHBondContact O-N 2.85Å; E135-R137 PolarHBondContact O-N 2.78Å; E135-R137 VanDerWaalsContact O-N 3.1Å
138	T	76.9	Confident	72.8	Confident	53 Å²	53	105 Å²	105	33%	0.325	51%	0.511	S	S	.	.			trans	-119.8	126.2	-174.3	-53.4	0	0	0	0	109.4	G133 L134	G133-T138 WeakPolarHBondContact CA-OG1 3.41Å; L134-T138 PolarHBondContact N-OG1 3.47Å; L134-T138 WeakPolarHBondContact O-CB 3.37Å; L134-T138 PolarHBondContact O-N 2.98Å; L134-T138 PolarHBondContact O-OG1 3.46Å
139	W	79.2	Confident	71.4	Confident	118 Å²	118	104.6 Å²	104.6	45%	0.447	51%	0.512	S	S	.	.			trans	-133.3	118	175.3	-167	83.9	0	0	0	108.8	L85 N88 L141	L85-W139 HydrophobicContact CB-CB 4.48Å; L85-W139 HydrophobicContact CD1-CB 4.04Å; N88-W139 VanDerWaalsContact CG-CD1 3.44Å; N88-W139 PolarHBondContact ND2-NE1 3.36Å; N88-W139 VanDerWaalsContact ND2-NE1 3.16Å; W139-L141 HydrophobicContact CE3-CD2 4.28Å; W139-L141 HydrophobicContact CE3-CG 4.47Å; W139-L141 HydrophobicContact CZ3-CD2 3.59Å; W139-L141 HydrophobicContact CZ3-CG 4.21Å
140	C	80.8	Confident	70.2	Confident	40 Å²	40	105.5 Å²	105.5	27%	0.27	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-79.6	119.6	-177.2	-63.5	0	0	0	0	110.1	N88 A92 P142	N88-C140 PolarHBondContact ND2-O 3.5Å; N88-C140 PolarHBondContact OD1-N 2.91Å; A92-C140 HydrophobicContact CB-CB 3.55Å; C140-P142 WeakPolarHBondContact O-CD 3.33Å
141	L	78.4	Confident	69.1	Low	145 Å²	145	108 Å²	108	76%	0.759	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-65.6	123	171.8	-78.5	163.1	0	0	0	109.6	W139 H143	W139-L141 HydrophobicContact CE3-CD2 4.28Å; W139-L141 HydrophobicContact CE3-CG 4.47Å; W139-L141 HydrophobicContact CZ3-CD2 3.59Å; W139-L141 HydrophobicContact CZ3-CG 4.21Å; L141-H143 PolarHBondContact O-N 3.07Å
142	P	75.6	Confident	68.5	Low	22 Å²	22	100.7 Å²	100.7	14%	0.143	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.4	179.2	-17.9	31.6	0	0	0	111.3	M91 R95 C140 H144	M91-P142 HydrophobicContact CE-CG 3.73Å; R95-P142 HydrophobicContact CB-CB 4.12Å; R95-P142 HydrophobicContact CG-CB 4.3Å; C140-P142 WeakPolarHBondContact O-CD 3.33Å; P142-H144 PolarHBondContact O-N 3.33Å
143	H	78.6	Confident	67.6	Low	53 Å²	53	100 Å²	100	25%	0.245	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-60.5	127.5	-177.2	-166.3	49.5	0	0	0	111.3	L96 H113 L141	L96-H143 HydrophobicContact CB-CB 4.49Å; L96-H143 HydrophobicContact CD1-CB 4.05Å; H113-H143 AromaticContact CE1-CE1 3.67Å; H113-H143 AromaticContact CE1-NE2 3.16Å; H113-H143 PolarHBondContact CE1-NE2 3.48Å; H113-H143 AromaticContact NE2-CE1 3.95Å; H113-H143 AromaticContact NE2-NE2 3.17Å; H113-H143 PolarHBondContact NE2-NE2 3.45Å; H113-H143 VanDerWaalsContact NE2-NE2 3.17Å; L141-H143 PolarHBondContact O-N 3.07Å
144	H	70.7	Confident	66.9	Low	139 Å²	139	101.8 Å²	101.8	64%	0.644	49%	0.493	S	S	*	.			trans	-139.2	109.2	177.4	-167.3	72.8	0	0	0	110.2	P142	P142-H144 PolarHBondContact O-N 3.33Å
145	M	69.2	Low	66.3	Low	20 Å²	20	103.4 Å²	103.4	10%	0.099	50%	0.497	C	S	.	.			trans	-82.5	130	176.2	178.5	-178.9	62.1	0	0	110.8	T99 L103 L109 H113 V147	T99-M145 HydrophobicContact CG2-CB 4.38Å; L103-M145 HydrophobicContact CD2-CE 3.57Å; L103-M145 HydrophobicContact CD2-SD 3.66Å; L103-M145 HydrophobicContact CG-CE 4.38Å; L109-M145 HydrophobicContact CD1-CE 3.81Å; L109-M145 HydrophobicContact CD1-SD 4.05Å; L109-M145 HydrophobicContact CD2-CE 3.72Å; L109-M145 HydrophobicContact CG-CE 3.85Å; L109-M145 HydrophobicContact CG-SD 4.38Å; H113-M145 HydrophobicContact CB-SD 3.93Å; H113-M145 PolarHBondContact ND1-SD 3.05Å; H113-M145 VanDerWaalsContact ND1-SD 3.37Å; M145-V147 HydrophobicContact CE-CG2 3.89Å; M145-V147 HydrophobicContact CG-CG2 4.15Å; M145-V147 HydrophobicContact SD-CG2 4.12Å
146	V	69.2	Low	65.9	Low	95 Å²	95	101.2 Å²	101.2	58%	0.576	49%	0.487	S	S	*	.			trans	-108.4	127.5	170.3	-176.5	0	0	0	0	108.8
147	V	66.3	Low	65.6	Low	60 Å²	60	102.4 Å²	102.4	36%	0.364	49%	0.49	S	S	.	.			trans	-109.4	125.2	-179.5	-174.1	0	0	0	0	108.3	L109 M145	L109-V147 HydrophobicContact CD1-CB 4.45Å; L109-V147 HydrophobicContact CD1-CG1 4.09Å; L109-V147 HydrophobicContact CD1-CG2 3.46Å; L109-V147 VanDerWaalsContact CD1-CG2 3.46Å; M145-V147 HydrophobicContact CE-CG2 3.89Å; M145-V147 HydrophobicContact CG-CG2 4.15Å; M145-V147 HydrophobicContact SD-CG2 4.12Å
148	R	56.1	Low	65.4	Low	122 Å²	122	98.2 Å²	98.2	46%	0.46	48%	0.478	S	S	.	.			trans	-97.5	129	173.3	-73.9	-173.9	172.1	-172.6	-1.6	109.6
149	H	50.3	Low	65	Low	183 Å²	183	101.1 Å²	101.1	85%	0.847	49%	0.488	S	S	*	.			trans	-95.9	-9.8	178.6	-72.2	-72.4	0	0	0	113.7
150	D	50.5	Low	64.6	Low	116 Å²	116	98.5 Å²	98.5	62%	0.62	48%	0.482	S	S	*	.			trans	-127.9	131.1	-176.9	-158.3	-17.6	0	0	0	111.7
151	K	48.4	Very low	64.3	Low	207 Å²	207	96.7 Å²	96.7	90%	0.9	47%	0.47	S	S	*	.			trans	-109.6	82.2	173.7	-71.3	-173.3	-178.1	-179.9	0	107.3
152	T	49.4	Very low	63.8	Low	62 Å²	62	94.8 Å²	94.8	38%	0.38	46%	0.46	S	S	.	.			trans	-70.8	145.2	175	48.7	0	0	0	0	111.2	N154	T152-N154 PolarHBondContact O-N 3.44Å
153	K	49.5	Very low	63.4	Low	196 Å²	196	97.6 Å²	97.6	85%	0.852	47%	0.473	S	S	*	.	S	Bend	trans	-71.2	11.1	-165.2	-73.1	-178.5	175.5	178.5	0	116.9	H155	K153-H155 PolarHBondContact O-N 3.31Å
154	N	55	Low	63.1	Low	77 Å²	77	97.4 Å²	97.4	41%	0.412	48%	0.475	S	S	.	.			trans	-97	78.3	-173.5	-71.6	13.8	0	0	0	110.9	T152 E156 V158 L190	T152-N154 PolarHBondContact O-N 3.44Å; N154-E156 PolarHBondContact O-N 3.03Å; N154-V158 WeakPolarHBondContact O-CB 3.37Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 2.92Å; N154-V158 VanDerWaalsContact O-N 3.1Å; N154-L190 HydrophobicContact CB-CD1 3.82Å
155	H	61.8	Low	63.2	Low	167 Å²	167	94 Å²	94	77%	0.773	46%	0.459	S	S	*	.	H	α-helix	trans	-64.6	-35	-168.2	-117	-81.8	0	0	0	114	K153 H159	K153-H155 PolarHBondContact O-N 3.31Å; H155-H159 WeakPolarHBondContact O-CB 3.48Å; H155-H159 PolarHBondContact O-N 2.8Å; H155-H159 VanDerWaalsContact O-N 3.1Å
156	E	68.2	Low	62.9	Low	129 Å²	129	96.5 Å²	96.5	60%	0.603	47%	0.468	S	S	*	.	H	α-helix	trans	-75.1	-48.7	-177.5	72.7	179.6	-155.9	0	0	112.1	N154 V158 H159 D160	N154-E156 PolarHBondContact O-N 3.03Å; E156-V158 VanDerWaalsContact C-N 3.34Å; E156-V158 PolarHBondContact O-N 2.99Å; E156-H159 WeakPolarHBondContact O-CB 3.24Å; E156-H159 PolarHBondContact O-N 2.76Å; E156-H159 VanDerWaalsContact O-N 3.13Å; E156-D160 PolarHBondContact O-N 3.39Å
157	E	68.8	Low	63.1	Low	30 Å²	30	97.5 Å²	97.5	14%	0.14	47%	0.474	C	S	.	.	H	α-helix	trans	-73.5	-31.5	-178.1	-59.1	99	142.2	0	0	111.6	H159 D160 I161 N186	E157-H159 VanDerWaalsContact C-N 3.3Å; E157-D160 PolarHBondContact O-N 3.36Å; E157-I161 WeakPolarHBondContact O-CB 3.38Å; E157-I161 WeakPolarHBondContact O-CD1 3.08Å; E157-I161 WeakPolarHBondContact O-CG1 3.33Å; E157-I161 PolarHBondContact O-N 3.13Å; E157-N186 HydrophobicContact CG-CB 4.23Å; E157-N186 PolarHBondContact OE1-ND2 3.22Å
158	V	69.4	Low	63.4	Low	29 Å²	29	97.1 Å²	97.1	18%	0.176	48%	0.483	C	S	.	.	H	α-helix	trans	-62.8	-41.9	170.2	171.8	0	0	0	0	110.2	N154 E156 I161 L162 L190	N154-V158 WeakPolarHBondContact O-CB 3.37Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 2.92Å; N154-V158 VanDerWaalsContact O-N 3.1Å; E156-V158 VanDerWaalsContact C-N 3.34Å; E156-V158 PolarHBondContact O-N 2.99Å; V158-I161 PolarHBondContact O-N 3.49Å; V158-L162 HydrophobicContact CG1-CD1 3.7Å; V158-L162 HydrophobicContact CG1-CG 4.2Å; V158-L162 WeakPolarHBondContact O-CB 3.09Å; V158-L162 WeakPolarHBondContact O-CG 3.23Å; V158-L162 PolarHBondContact O-N 3.19Å; V158-L190 HydrophobicContact CG2-CD1 3.83Å; V158-L190 HydrophobicContact CG2-CD2 3.75Å; V158-L190 HydrophobicContact CG2-CG 4.44Å
159	H	69.9	Low	64.3	Low	114 Å²	114	93.9 Å²	93.9	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-44.8	177	-177.8	-91.8	0	0	0	111.4	H155 E156 E157 L162 N163	H155-H159 WeakPolarHBondContact O-CB 3.48Å; H155-H159 PolarHBondContact O-N 2.8Å; H155-H159 VanDerWaalsContact O-N 3.1Å; E156-H159 WeakPolarHBondContact O-CB 3.24Å; E156-H159 PolarHBondContact O-N 2.76Å; E156-H159 VanDerWaalsContact O-N 3.13Å; E157-H159 VanDerWaalsContact C-N 3.3Å; H159-L162 PolarHBondContact O-N 2.76Å; H159-N163 PolarHBondContact CD2-ND2 3.23Å; H159-N163 VanDerWaalsContact CD2-ND2 3.31Å; H159-N163 PolarHBondContact CE1-ND2 2.92Å; H159-N163 PolarHBondContact ND1-ND2 2.8Å; H159-N163 VanDerWaalsContact ND1-ND2 3.11Å; H159-N163 PolarHBondContact NE2-ND2 2.71Å; H159-N163 WeakPolarHBondContact O-CB 3.26Å; H159-N163 PolarHBondContact O-N 2.92Å; H159-N163 PolarHBondContact O-ND2 2.79Å
160	D	70.2	Confident	65.7	Low	62 Å²	62	86.3 Å²	86.3	33%	0.332	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-49.2	174.6	-94	8.8	0	0	0	111.3	E156 E157 L162 N163 N164	E156-D160 PolarHBondContact O-N 3.39Å; E157-D160 PolarHBondContact O-N 3.36Å; D160-L162 VanDerWaalsContact C-N 3.32Å; D160-L162 PolarHBondContact O-N 3.36Å; D160-N163 PolarHBondContact O-N 2.98Å; D160-N164 WeakPolarHBondContact O-CB 3.44Å; D160-N164 PolarHBondContact O-N 3.36Å; D160-N164 PolarHBondContact O-ND2 3.2Å
161	I	73.8	Confident	67	Low	3 Å²	3	84 Å²	84	2%	0.015	43%	0.426	C	S	.	.	H	α-helix	trans	-55.8	-48	176.1	-67.7	162.2	0	0	0	111	E157 V158 N163 N164 M165 F170 T187 L190 L191	E157-I161 WeakPolarHBondContact O-CB 3.38Å; E157-I161 WeakPolarHBondContact O-CD1 3.08Å; E157-I161 WeakPolarHBondContact O-CG1 3.33Å; E157-I161 PolarHBondContact O-N 3.13Å; V158-I161 PolarHBondContact O-N 3.49Å; I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 PolarHBondContact O-N 3.29Å; I161-N164 PolarHBondContact O-N 2.84Å; I161-M165 HydrophobicContact CG2-CG 3.8Å; I161-M165 WeakPolarHBondContact O-CB 3.48Å; I161-M165 WeakPolarHBondContact O-CG 3.01Å; I161-M165 PolarHBondContact O-N 2.62Å; I161-F170 HydrophobicContact CB-CE2 4.38Å; I161-F170 HydrophobicContact CG1-CD2 4.4Å; I161-F170 HydrophobicContact CG1-CE2 3.97Å; I161-F170 HydrophobicContact CG1-CZ 4.42Å; I161-T187 HydrophobicContact CD1-CG2 3.61Å; I161-T187 HydrophobicContact CG1-CG2 3.47Å; I161-T187 VanDerWaalsContact CG1-CG2 3.47Å; I161-L190 HydrophobicContact CD1-CB 4.46Å; I161-L190 HydrophobicContact CD1-CD2 3.85Å; I161-L191 HydrophobicContact CD1-CG 4.45Å; I161-L191 HydrophobicContact CG2-CD1 4.34Å; I161-L191 HydrophobicContact CG2-CD2 4.28Å
162	L	68.1	Low	68.4	Low	105 Å²	105	76.1 Å²	76.1	55%	0.55	40%	0.396	S	S	.	.	H	α-helix	trans	-66.4	-32.1	-176.3	-71.5	172.7	0	0	0	113.2	V158 H159 D160	V158-L162 HydrophobicContact CG1-CD1 3.7Å; V158-L162 HydrophobicContact CG1-CG 4.2Å; V158-L162 WeakPolarHBondContact O-CB 3.09Å; V158-L162 WeakPolarHBondContact O-CG 3.23Å; V158-L162 PolarHBondContact O-N 3.19Å; H159-L162 PolarHBondContact O-N 2.76Å; D160-L162 VanDerWaalsContact C-N 3.32Å; D160-L162 PolarHBondContact O-N 3.36Å
163	N	68.7	Low	69.6	Low	80 Å²	80	77.8 Å²	77.8	43%	0.428	41%	0.409	S	S	.	.	H	α-helix	trans	-91.1	-22.6	-178.9	-68.3	-51.4	0	0	0	113.6	H159 D160 I161	H159-N163 PolarHBondContact CD2-ND2 3.23Å; H159-N163 VanDerWaalsContact CD2-ND2 3.31Å; H159-N163 PolarHBondContact CE1-ND2 2.92Å; H159-N163 PolarHBondContact ND1-ND2 2.8Å; H159-N163 VanDerWaalsContact ND1-ND2 3.11Å; H159-N163 PolarHBondContact NE2-ND2 2.71Å; H159-N163 WeakPolarHBondContact O-CB 3.26Å; H159-N163 PolarHBondContact O-N 2.92Å; H159-N163 PolarHBondContact O-ND2 2.79Å; D160-N163 PolarHBondContact O-N 2.98Å; I161-N163 VanDerWaalsContact C-N 3.3Å; I161-N163 PolarHBondContact O-N 3.29Å
164	N	71.2	Confident	70.9	Confident	50 Å²	50	70.9 Å²	70.9	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-107.5	-0.2	-175.9	-66.1	-29.3	0	0	0	113.2	D160 I161 Y166 F170 I171	D160-N164 WeakPolarHBondContact O-CB 3.44Å; D160-N164 PolarHBondContact O-N 3.36Å; D160-N164 PolarHBondContact O-ND2 3.2Å; I161-N164 PolarHBondContact O-N 2.84Å; N164-Y166 PolarHBondContact O-N 2.78Å; N164-F170 HydrophobicContact CB-CD2 4.19Å; N164-F170 HydrophobicContact CB-CE2 3.83Å; N164-I171 VanDerWaalsContact CB-O 3.23Å; N164-I171 WeakPolarHBondContact CB-O 3.41Å; N164-I171 PolarHBondContact O-N 3.31Å
165	M	72.3	Confident	71.9	Confident	66 Å²	66	75.1 Å²	75.1	33%	0.325	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.8	167.5	-82.5	-70.7	-65.1	0	0	109.9	I161 F170	I161-M165 HydrophobicContact CG2-CG 3.8Å; I161-M165 WeakPolarHBondContact O-CB 3.48Å; I161-M165 WeakPolarHBondContact O-CG 3.01Å; I161-M165 PolarHBondContact O-N 2.62Å; M165-F170 HydrophobicContact CG-CD2 4.3Å; M165-F170 HydrophobicContact SD-CB 3.61Å; M165-F170 HydrophobicContact SD-CD2 4.36Å; M165-F170 HydrophobicContact SD-CG 4.45Å
166	Y	63.4	Low	72.7	Confident	73 Å²	73	70 Å²	70	29%	0.286	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103	168.5	-173.8	-101.5	0	0	0	109.8	L20 D22 S25 N164 G168 D169	L20-Y166 HydrophobicContact CD2-CD1 4.49Å; D22-Y166 HydrophobicContact CB-CD1 4.49Å; D22-Y166 HydrophobicContact CB-CE1 3.68Å; D22-Y166 WeakPolarHBondContact OD2-CE1 3.16Å; D22-Y166 PolarHBondContact OD2-OH 3.27Å; S25-Y166 WeakPolarHBondContact CB-OH 3.36Å; N164-Y166 PolarHBondContact O-N 2.78Å; Y166-G168 PolarHBondContact O-N 3.27Å; Y166-D169 PolarHBondContact N-O 3.13Å; Y166-D169 PolarHBondContact O-N 3.32Å
167	V	74.2	Confident	73.4	Confident	116 Å²	116	65.6 Å²	65.6	70%	0.703	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	-96	-174.7	-172.1	0	0	0	0	111.1
168	G	72	Confident	74.1	Confident	52 Å²	52	70.4 Å²	70.4	54%	0.536	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-5.7	178.7	0	0	0	0	0	114.2	Y166	Y166-G168 PolarHBondContact O-N 3.27Å
169	D	74.4	Confident	74.7	Confident	55 Å²	55	70.9 Å²	70.9	29%	0.294	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.5	-176	-67.8	-25.1	0	0	0	109.5	M1 L20 Y166 I171	M1-D169 PolarHBondContact N-OD2 3.46Å; L20-D169 HydrophobicContact CD2-CB 3.98Å; L20-D169 WeakPolarHBondContact CD2-OD2 3.21Å; Y166-D169 PolarHBondContact N-O 3.13Å; Y166-D169 PolarHBondContact O-N 3.32Å; D169-I171 HydrophobicContact CB-CD1 4.47Å; D169-I171 HydrophobicContact CB-CG1 4.4Å
170	F	79.8	Confident	75.3	Confident	24 Å²	24	66.2 Å²	66.2	11%	0.105	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.7	171.9	175.2	-112.4	0	0	0	109.6	I161 N164 M165 T172 I183 T187 L198 W201	I161-F170 HydrophobicContact CB-CE2 4.38Å; I161-F170 HydrophobicContact CG1-CD2 4.4Å; I161-F170 HydrophobicContact CG1-CE2 3.97Å; I161-F170 HydrophobicContact CG1-CZ 4.42Å; N164-F170 HydrophobicContact CB-CD2 4.19Å; N164-F170 HydrophobicContact CB-CE2 3.83Å; M165-F170 HydrophobicContact CG-CD2 4.3Å; M165-F170 HydrophobicContact SD-CB 3.61Å; M165-F170 HydrophobicContact SD-CD2 4.36Å; M165-F170 HydrophobicContact SD-CG 4.45Å; F170-T172 HydrophobicContact CE1-CG2 3.66Å; F170-T172 HydrophobicContact CZ-CG2 3.69Å; F170-I183 HydrophobicContact CE1-CG2 3.73Å; F170-I183 HydrophobicContact CZ-CG2 3.89Å; F170-T187 HydrophobicContact CD1-CG2 3.74Å; F170-T187 HydrophobicContact CD2-CG2 4.31Å; F170-T187 HydrophobicContact CE1-CG2 3.61Å; F170-T187 HydrophobicContact CE2-CG2 4.21Å; F170-T187 HydrophobicContact CG-CG2 4.08Å; F170-T187 HydrophobicContact CZ-CG2 3.86Å; F170-L198 HydrophobicContact CB-CD1 4.4Å; F170-L198 HydrophobicContact CB-CD2 4.4Å; F170-W201 AromaticContact CD1-CH2 3.53Å; F170-W201 HydrophobicContact CD1-CH2 3.53Å; F170-W201 AromaticContact CD1-CZ3 3.81Å; F170-W201 HydrophobicContact CD1-CZ3 3.81Å; F170-W201 AromaticContact CE1-CH2 3.8Å; F170-W201 HydrophobicContact CE1-CH2 3.8Å; F170-W201 HydrophobicContact CE1-CZ3 4.12Å
171	I	77.7	Confident	76.1	Confident	68 Å²	68	68 Å²	68	35%	0.349	38%	0.378	S	S	.	.			trans	-132.7	106.7	-172.9	-51.7	155.3	0	0	0	109.7	L20 N164 D169	L20-I171 HydrophobicContact CD1-CD1 3.38Å; L20-I171 HydrophobicContact CD1-CG1 3.54Å; L20-I171 HydrophobicContact CD1-CG2 4.49Å; L20-I171 HydrophobicContact CD2-CD1 3.56Å; L20-I171 HydrophobicContact CD2-CG1 4.39Å; L20-I171 HydrophobicContact CG-CD1 4.02Å; N164-I171 VanDerWaalsContact CB-O 3.23Å; N164-I171 WeakPolarHBondContact CB-O 3.41Å; N164-I171 PolarHBondContact O-N 3.31Å; D169-I171 HydrophobicContact CB-CD1 4.47Å; D169-I171 HydrophobicContact CB-CG1 4.4Å
172	T	77.9	Confident	76.7	Confident	41 Å²	41	74 Å²	74	25%	0.252	40%	0.4	S	S	.	.			trans	-126.1	162.6	176.7	-170.9	0	0	0	0	111.5	F170 I183	F170-T172 HydrophobicContact CE1-CG2 3.66Å; F170-T172 HydrophobicContact CZ-CG2 3.69Å; T172-I183 HydrophobicContact CG2-CD1 4.13Å; T172-I183 HydrophobicContact CG2-CG2 3.56Å
173	S	76.3	Confident	77.4	Confident	96 Å²	96	70 Å²	70	67%	0.671	38%	0.379	S	S	*	.			trans	-125.2	141.3	173.2	58.8	0	0	0	0	109.5
174	C	76	Confident	78.3	Confident	52 Å²	52	66.7 Å²	66.7	35%	0.351	36%	0.362	S	S	.	.			trans	-143.1	164.9	176.2	53.3	0	0	0	0	109.8	D179 A180 I183	C174-D179 HydrophobicContact CB-CB 3.76Å; C174-A180 WeakPolarHBondContact SG-CA 3.43Å; C174-A180 WeakPolarHBondContact SG-CB 3.28Å; C174-A180 PolarHBondContact SG-N 2.88Å; C174-A180 VanDerWaalsContact SG-N 3.41Å; C174-I183 HydrophobicContact CB-CD1 3.78Å
175	N	75.4	Confident	79.1	Confident	165 Å²	165	71.7 Å²	71.7	88%	0.882	38%	0.381	S	S	*	.	S	Bend	trans	-94.4	-17.9	-170.1	-63.2	-36.3	0	0	0	113.4
176	T	79.2	Confident	79.7	Confident	61 Å²	61	70.8 Å²	70.8	37%	0.374	38%	0.378	S	S	.	.	S	Bend	trans	-130.9	156.1	-175.9	70.8	0	0	0	0	111.8	E178 D179 A180	T176-E178 VanDerWaalsContact C-N 3.25Å; T176-E178 PolarHBondContact O-N 2.87Å; T176-D179 PolarHBondContact O-N 3.13Å; T176-D179 VanDerWaalsContact OG1-CB 3.29Å; T176-D179 WeakPolarHBondContact OG1-CB 3.48Å; T176-D179 PolarHBondContact OG1-N 2.98Å; T176-D179 PolarHBondContact OG1-OD2 3.38Å; T176-A180 PolarHBondContact O-N 2.79Å
177	V	83.1	Confident	80.8	Confident	36 Å²	36	67.4 Å²	67.4	22%	0.218	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-35.6	176.1	177.8	0	0	0	0	110.3	A180 R181 V205 E207	V177-A180 WeakPolarHBondContact O-CB 3.34Å; V177-A180 PolarHBondContact O-N 3.32Å; V177-R181 WeakPolarHBondContact O-CG 3.09Å; V177-R181 PolarHBondContact O-N 3.3Å; V177-V205 HydrophobicContact CG2-CG1 3.89Å; V177-E207 HydrophobicContact CG1-CB 4.07Å
178	E	83.4	Confident	81.4	Confident	131 Å²	131	63 Å²	63	61%	0.612	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-45.5	176.4	-71.5	65.3	-148.7	0	0	111.5	T176 A180 R181 R182	T176-E178 VanDerWaalsContact C-N 3.25Å; T176-E178 PolarHBondContact O-N 2.87Å; E178-A180 VanDerWaalsContact C-N 3.33Å; E178-R181 PolarHBondContact O-N 3.49Å; E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 PolarHBondContact O-N 3.21Å
179	D	81.6	Confident	82	Confident	39 Å²	39	66.4 Å²	66.4	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-43.3	174.4	-69.4	-40.8	0	0	0	110.7	C174 T176 R181 R182 I183	C174-D179 HydrophobicContact CB-CB 3.76Å; T176-D179 PolarHBondContact O-N 3.13Å; T176-D179 VanDerWaalsContact OG1-CB 3.29Å; T176-D179 WeakPolarHBondContact OG1-CB 3.48Å; T176-D179 PolarHBondContact OG1-N 2.98Å; T176-D179 PolarHBondContact OG1-OD2 3.38Å; D179-R181 PolarHBondContact O-N 3.1Å; D179-R182 PolarHBondContact O-N 2.96Å; D179-R182 IonicContact OD1-CZ 2.82Å; D179-R182 IonicContact OD1-NH1 3.29Å; D179-R182 PolarHBondContact OD1-NH1 3.03Å; D179-R182 IonicContact OD1-NH2 3.23Å; D179-R182 PolarHBondContact OD1-NH2 3.19Å; D179-I183 WeakPolarHBondContact O-CB 3.4Å; D179-I183 VanDerWaalsContact O-CG1 3.23Å; D179-I183 WeakPolarHBondContact O-CG1 3.49Å; D179-I183 PolarHBondContact O-N 3.28Å
180	A	83.2	Confident	82.5	Confident	16 Å²	16	64.5 Å²	64.5	13%	0.132	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-47.5	177.4	0	0	0	0	0	111.4	C174 T176 V177 E178 R182 I183 V184	C174-A180 WeakPolarHBondContact SG-CA 3.43Å; C174-A180 WeakPolarHBondContact SG-CB 3.28Å; C174-A180 PolarHBondContact SG-N 2.88Å; C174-A180 VanDerWaalsContact SG-N 3.41Å; T176-A180 PolarHBondContact O-N 2.79Å; V177-A180 WeakPolarHBondContact O-CB 3.34Å; V177-A180 PolarHBondContact O-N 3.32Å; E178-A180 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.06Å; A180-I183 PolarHBondContact O-N 3.13Å; A180-V184 WeakPolarHBondContact O-CB 3.29Å; A180-V184 VanDerWaalsContact O-CG2 3.25Å; A180-V184 WeakPolarHBondContact O-CG2 3.26Å; A180-V184 PolarHBondContact O-N 3.41Å
181	R	86.6	Confident	82.6	Confident	100 Å²	100	63.8 Å²	63.8	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176.2	-74.4	177.7	118.7	155.1	5.6	111.8	V177 E178 D179 K185 E207 S208 E210	V177-R181 WeakPolarHBondContact O-CG 3.09Å; V177-R181 PolarHBondContact O-N 3.3Å; E178-R181 PolarHBondContact O-N 3.49Å; D179-R181 PolarHBondContact O-N 3.1Å; R181-K185 VanDerWaalsContact O-CB 3.31Å; R181-K185 WeakPolarHBondContact O-CB 2.95Å; R181-K185 PolarHBondContact O-N 3.36Å; R181-E207 PolarHBondContact NE-O 2.98Å; R181-S208 WeakPolarHBondContact CG-O 3.48Å; R181-E210 PolarHBondContact NH2-O 2.8Å; R181-E210 IonicContact NH2-OE2 2.81Å; R181-E210 PolarHBondContact NH2-OE2 3.1Å
182	R	85.6	Confident	82.9	Confident	127 Å²	127	65.9 Å²	65.9	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-49.4	177.2	-176.7	176.5	69.9	-138.5	-10.1	110.8	E178 D179 A180 K185 N186	E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 PolarHBondContact O-N 3.21Å; D179-R182 PolarHBondContact O-N 2.96Å; D179-R182 IonicContact OD1-CZ 2.82Å; D179-R182 IonicContact OD1-NH1 3.29Å; D179-R182 PolarHBondContact OD1-NH1 3.03Å; D179-R182 IonicContact OD1-NH2 3.23Å; D179-R182 PolarHBondContact OD1-NH2 3.19Å; A180-R182 PolarHBondContact O-N 3.06Å; R182-K185 PolarHBondContact O-N 3.25Å; R182-N186 VanDerWaalsContact O-CB 3.3Å; R182-N186 WeakPolarHBondContact O-CB 3.49Å; R182-N186 VanDerWaalsContact O-CG 3.29Å; R182-N186 PolarHBondContact O-N 2.86Å; R182-N186 PolarHBondContact O-OD1 2.84Å
183	I	83.9	Confident	83	Confident	21 Å²	21	68 Å²	68	11%	0.108	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-54.2	179.2	-67.1	165.1	0	0	0	109.8	F170 T172 C174 D179 A180 K185 N186 T187	F170-I183 HydrophobicContact CE1-CG2 3.73Å; F170-I183 HydrophobicContact CZ-CG2 3.89Å; T172-I183 HydrophobicContact CG2-CD1 4.13Å; T172-I183 HydrophobicContact CG2-CG2 3.56Å; C174-I183 HydrophobicContact CB-CD1 3.78Å; D179-I183 WeakPolarHBondContact O-CB 3.4Å; D179-I183 VanDerWaalsContact O-CG1 3.23Å; D179-I183 WeakPolarHBondContact O-CG1 3.49Å; D179-I183 PolarHBondContact O-N 3.28Å; A180-I183 PolarHBondContact O-N 3.13Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.87Å; I183-N186 PolarHBondContact O-N 2.99Å; I183-T187 WeakPolarHBondContact O-CB 3.06Å; I183-T187 PolarHBondContact O-N 3.33Å; I183-T187 PolarHBondContact O-OG1 2.86Å
184	V	87.4	Confident	83	Confident	12 Å²	12	65.7 Å²	65.7	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-53.1	-46.2	-179	169	0	0	0	0	111.5	A180 S188 W201 L209 L212	A180-V184 WeakPolarHBondContact O-CB 3.29Å; A180-V184 VanDerWaalsContact O-CG2 3.25Å; A180-V184 WeakPolarHBondContact O-CG2 3.26Å; A180-V184 PolarHBondContact O-N 3.41Å; V184-S188 WeakPolarHBondContact O-CB 3.5Å; V184-S188 PolarHBondContact O-N 2.92Å; V184-S188 PolarHBondContact O-OG 3.15Å; V184-W201 HydrophobicContact CB-CH2 4.32Å; V184-W201 HydrophobicContact CB-CZ2 4.34Å; V184-W201 HydrophobicContact CB-CZ3 4.43Å; V184-W201 HydrophobicContact CG1-CD2 3.96Å; V184-W201 HydrophobicContact CG1-CE3 4.42Å; V184-W201 HydrophobicContact CG1-CG 4.3Å; V184-W201 HydrophobicContact CG1-CH2 4.47Å; V184-W201 HydrophobicContact CG1-CZ2 4.04Å; V184-W201 HydrophobicContact CG2-CD2 4.09Å; V184-W201 HydrophobicContact CG2-CE3 3.71Å; V184-W201 HydrophobicContact CG2-CH2 4.07Å; V184-W201 HydrophobicContact CG2-CZ2 4.44Å; V184-W201 HydrophobicContact CG2-CZ3 3.7Å; V184-L209 HydrophobicContact CG2-CD2 4.3Å; V184-L212 HydrophobicContact CG1-CD1 3.7Å; V184-L212 HydrophobicContact CG1-CD2 3.76Å; V184-L212 HydrophobicContact CG1-CG 4.17Å
185	K	87.1	Confident	83.3	Confident	155 Å²	155	66.6 Å²	66.6	67%	0.674	35%	0.353	S	S	*	.	H	α-helix	trans	-66.7	-51.3	-179.5	-169.4	-179.5	-178.9	-177.1	0	111.8	R181 R182 I183 H189	R181-K185 VanDerWaalsContact O-CB 3.31Å; R181-K185 WeakPolarHBondContact O-CB 2.95Å; R181-K185 PolarHBondContact O-N 3.36Å; R182-K185 PolarHBondContact O-N 3.25Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.87Å; K185-H189 WeakPolarHBondContact O-CB 3.49Å; K185-H189 PolarHBondContact O-N 3.44Å
186	N	86	Confident	83.6	Confident	47 Å²	47	63.9 Å²	63.9	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-45.1	-176.8	-72	5.8	0	0	0	110.8	E157 R182 I183 H189 L190	E157-N186 HydrophobicContact CG-CB 4.23Å; E157-N186 PolarHBondContact OE1-ND2 3.22Å; R182-N186 VanDerWaalsContact O-CB 3.3Å; R182-N186 WeakPolarHBondContact O-CB 3.49Å; R182-N186 VanDerWaalsContact O-CG 3.29Å; R182-N186 PolarHBondContact O-N 2.86Å; R182-N186 PolarHBondContact O-OD1 2.84Å; I183-N186 PolarHBondContact O-N 2.99Å; N186-H189 PolarHBondContact O-N 2.79Å; N186-L190 WeakPolarHBondContact O-CB 3.3Å; N186-L190 PolarHBondContact O-N 2.82Å
187	T	85.8	Confident	83.7	Confident	2 Å²	2	68 Å²	68	1%	0.012	34%	0.343	C	S	.	.	H	α-helix	trans	-67	-42.7	-179.6	-53.2	0	0	0	0	112	I161 F170 I183 L190 L191 L198 W201	I161-T187 HydrophobicContact CD1-CG2 3.61Å; I161-T187 HydrophobicContact CG1-CG2 3.47Å; I161-T187 VanDerWaalsContact CG1-CG2 3.47Å; F170-T187 HydrophobicContact CD1-CG2 3.74Å; F170-T187 HydrophobicContact CD2-CG2 4.31Å; F170-T187 HydrophobicContact CE1-CG2 3.61Å; F170-T187 HydrophobicContact CE2-CG2 4.21Å; F170-T187 HydrophobicContact CG-CG2 4.08Å; F170-T187 HydrophobicContact CZ-CG2 3.86Å; I183-T187 WeakPolarHBondContact O-CB 3.06Å; I183-T187 PolarHBondContact O-N 3.33Å; I183-T187 PolarHBondContact O-OG1 2.86Å; T187-L190 PolarHBondContact O-N 3.23Å; T187-L191 HydrophobicContact CG2-CD1 3.84Å; T187-L191 WeakPolarHBondContact O-CB 3.31Å; T187-L191 PolarHBondContact O-N 3.29Å; T187-L198 HydrophobicContact CG2-CD1 3.67Å; T187-W201 HydrophobicContact CG2-CH2 4.42Å
188	S	86.4	Confident	83.6	Confident	22 Å²	22	67.9 Å²	67.9	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-46.9	174.6	-61.8	0	0	0	0	111.3	V184 Q192 W201	V184-S188 WeakPolarHBondContact O-CB 3.5Å; V184-S188 PolarHBondContact O-N 2.92Å; V184-S188 PolarHBondContact O-OG 3.15Å; S188-Q192 WeakPolarHBondContact O-CB 3.39Å; S188-Q192 PolarHBondContact O-N 2.98Å; S188-W201 WeakPolarHBondContact OG-CZ2 3.45Å; S188-W201 PolarHBondContact OG-NE1 3.36Å; S188-W201 VanDerWaalsContact OG-NE1 3.15Å
189	H	84.5	Confident	83.7	Confident	125 Å²	125	64.5 Å²	64.5	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-61.5	-49.1	178.2	179.9	61.9	0	0	0	111.6	K185 N186 Q192 T193	K185-H189 WeakPolarHBondContact O-CB 3.49Å; K185-H189 PolarHBondContact O-N 3.44Å; N186-H189 PolarHBondContact O-N 2.79Å; H189-Q192 WeakPolarHBondContact O-CB 3.3Å; H189-Q192 PolarHBondContact O-N 2.81Å; H189-Q192 VanDerWaalsContact O-N 3.16Å; H189-T193 WeakPolarHBondContact O-CG2 3.42Å; H189-T193 PolarHBondContact O-N 3.16Å
190	L	84.3	Confident	83.9	Confident	14 Å²	14	69 Å²	69	7%	0.073	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-43	-175.3	-163.1	137.8	0	0	0	111.8	N154 V158 I161 N186 T187 Q192 T193 A194	N154-L190 HydrophobicContact CB-CD1 3.82Å; V158-L190 HydrophobicContact CG2-CD1 3.83Å; V158-L190 HydrophobicContact CG2-CD2 3.75Å; V158-L190 HydrophobicContact CG2-CG 4.44Å; I161-L190 HydrophobicContact CD1-CB 4.46Å; I161-L190 HydrophobicContact CD1-CD2 3.85Å; N186-L190 WeakPolarHBondContact O-CB 3.3Å; N186-L190 PolarHBondContact O-N 2.82Å; T187-L190 PolarHBondContact O-N 3.23Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.05Å; L190-T193 PolarHBondContact O-N 3.31Å; L190-T193 PolarHBondContact O-OG1 3.24Å; L190-A194 PolarHBondContact O-N 2.77Å
191	L	82.7	Confident	84	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-34.4	174.3	-76.8	165.8	0	0	0	111.9	I161 T187 T193 A194 G195 F196 L198	I161-L191 HydrophobicContact CD1-CG 4.45Å; I161-L191 HydrophobicContact CG2-CD1 4.34Å; I161-L191 HydrophobicContact CG2-CD2 4.28Å; T187-L191 HydrophobicContact CG2-CD1 3.84Å; T187-L191 WeakPolarHBondContact O-CB 3.31Å; T187-L191 PolarHBondContact O-N 3.29Å; L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 2.82Å; L191-A194 CarbonylContact O-C 3.5Å; L191-A194 WeakPolarHBondContact O-CA 3.1Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 3.48Å; L191-G195 PolarHBondContact O-N 2.99Å; L191-F196 CarbonylContact C-O 3.56Å; L191-F196 HydrophobicContact CB-CB 4.12Å; L191-F196 HydrophobicContact CD2-CB 4.29Å; L191-F196 WeakPolarHBondContact O-CA 3.22Å; L191-F196 PolarHBondContact O-N 2.62Å; L191-L198 HydrophobicContact CD1-CD1 3.35Å; L191-L198 HydrophobicContact CD1-CD2 4.06Å; L191-L198 HydrophobicContact CD1-CG 3.55Å
192	Q	83.8	Confident	83.9	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-36	175.9	-170.7	147.9	50.5	0	0	112.3	S188 H189 L190 A194 G195 F196	S188-Q192 WeakPolarHBondContact O-CB 3.39Å; S188-Q192 PolarHBondContact O-N 2.98Å; H189-Q192 WeakPolarHBondContact O-CB 3.3Å; H189-Q192 PolarHBondContact O-N 2.81Å; H189-Q192 VanDerWaalsContact O-N 3.16Å; L190-Q192 VanDerWaalsContact C-N 3.29Å; L190-Q192 PolarHBondContact O-N 3.05Å; Q192-A194 PolarHBondContact O-N 2.71Å; Q192-G195 PolarHBondContact O-N 3.49Å; Q192-F196 VanDerWaalsContact CA-O 3.28Å; Q192-F196 WeakPolarHBondContact CA-O 3.38Å; Q192-F196 PolarHBondContact N-O 3.2Å; Q192-F196 VanDerWaalsContact N-O 3.08Å
193	T	80.6	Confident	83.6	Confident	85 Å²	85	62 Å²	62	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-27.5	171	63.5	0	0	0	0	112.8	H189 L190 L191 G195	H189-T193 WeakPolarHBondContact O-CG2 3.42Å; H189-T193 PolarHBondContact O-N 3.16Å; L190-T193 PolarHBondContact O-N 3.31Å; L190-T193 PolarHBondContact O-OG1 3.24Å; L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 2.82Å; T193-G195 VanDerWaalsContact C-N 3.32Å
194	A	76.2	Confident	83.2	Confident	48 Å²	48	66.2 Å²	66.2	40%	0.397	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.2	174.3	0	0	0	0	0	113.7	L190 L191 Q192 F196	L190-A194 PolarHBondContact O-N 2.77Å; L191-A194 CarbonylContact O-C 3.5Å; L191-A194 WeakPolarHBondContact O-CA 3.1Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 3.48Å; Q192-A194 PolarHBondContact O-N 2.71Å; A194-F196 VanDerWaalsContact C-N 3.35Å; A194-F196 HydrophobicContact CB-CD2 3.98Å; A194-F196 HydrophobicContact CB-CE2 4.49Å; A194-F196 VanDerWaalsContact O-CD2 3.26Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å; A194-F196 WeakPolarHBondContact O-CE2 3.13Å
195	G	81.3	Confident	82.7	Confident	70 Å²	70	68.1 Å²	68.1	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	8.3	-179.1	0	0	0	0	0	115	L191 Q192 T193	L191-G195 PolarHBondContact O-N 2.99Å; Q192-G195 PolarHBondContact O-N 3.49Å; T193-G195 VanDerWaalsContact C-N 3.32Å
196	F	81.7	Confident	82.2	Confident	109 Å²	109	66 Å²	66	48%	0.478	36%	0.358	S	S	.	.			trans	-103.5	121.1	178.1	-65.8	-85.5	0	0	0	110.4	L191 Q192 A194	L191-F196 CarbonylContact C-O 3.56Å; L191-F196 HydrophobicContact CB-CB 4.12Å; L191-F196 HydrophobicContact CD2-CB 4.29Å; L191-F196 WeakPolarHBondContact O-CA 3.22Å; L191-F196 PolarHBondContact O-N 2.62Å; Q192-F196 VanDerWaalsContact CA-O 3.28Å; Q192-F196 WeakPolarHBondContact CA-O 3.38Å; Q192-F196 PolarHBondContact N-O 3.2Å; Q192-F196 VanDerWaalsContact N-O 3.08Å; A194-F196 VanDerWaalsContact C-N 3.35Å; A194-F196 HydrophobicContact CB-CD2 3.98Å; A194-F196 HydrophobicContact CB-CE2 4.49Å; A194-F196 VanDerWaalsContact O-CD2 3.26Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å; A194-F196 WeakPolarHBondContact O-CE2 3.13Å
197	R	82.4	Confident	82.1	Confident	148 Å²	148	69.2 Å²	69.2	56%	0.558	37%	0.371	S	S	*	.			trans	-95.4	109.5	174.8	-169	178.4	-179.9	-136.2	-7.7	110	T199 D216	R197-T199 HydrophobicContact CG-CG2 4.04Å; R197-D216 IonicContact CZ-OD1 3.94Å; R197-D216 IonicContact CZ-OD2 2.85Å; R197-D216 IonicContact NE-OD1 3.34Å; R197-D216 IonicContact NH1-OD1 3.96Å; R197-D216 IonicContact NH2-OD1 2.96Å; R197-D216 PolarHBondContact NH2-OD1 3Å; R197-D216 IonicContact NH2-OD2 3.4Å; R197-D216 PolarHBondContact NH2-OD2 2.74Å
198	L	81.3	Confident	81.9	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	38%	0.375	C	S	.	.			trans	-70.1	135.9	166.4	-77.4	-179.1	0	0	0	110	F170 T187 L191 W201	F170-L198 HydrophobicContact CB-CD1 4.4Å; F170-L198 HydrophobicContact CB-CD2 4.4Å; T187-L198 HydrophobicContact CG2-CD1 3.67Å; L191-L198 HydrophobicContact CD1-CD1 3.35Å; L191-L198 HydrophobicContact CD1-CD2 4.06Å; L191-L198 HydrophobicContact CD1-CG 3.55Å; L198-W201 HydrophobicContact CB-CZ2 4.25Å; L198-W201 HydrophobicContact CD1-CH2 3.98Å; L198-W201 HydrophobicContact CD1-CZ2 3.49Å; L198-W201 VanDerWaalsContact CD1-CZ2 3.49Å
199	T	85.4	Confident	81.8	Confident	61 Å²	61	69 Å²	69	37%	0.374	37%	0.37	S	S	.	.			trans	-141.5	170.5	179.2	60.2	0	0	0	0	108.4	R197 W201	R197-T199 HydrophobicContact CG-CG2 4.04Å; T199-W201 PolarHBondContact O-N 2.68Å
200	K	85.1	Confident	81.6	Confident	134 Å²	134	68 Å²	68	58%	0.583	37%	0.365	S	S	*	.			trans	61	40.1	175.1	-57.7	177.3	-179.6	179.7	0	113.8	S202 D216 Q218	K200-S202 PolarHBondContact O-N 3.38Å; K200-D216 CarbonylContact C-O 3.43Å; K200-D216 WeakPolarHBondContact CA-O 3.18Å; K200-D216 PolarHBondContact N-O 3.44Å; K200-Q218 HydrophobicContact CB-CB 4.03Å
201	W	86.9	Confident	81.5	Confident	29 Å²	29	71.4 Å²	71.4	11%	0.11	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-56.5	129.8	170.8	-73	102.1	0	0	0	110.2	F170 V184 T187 S188 L198 T199 L209 L212 D216 V217 Q218	F170-W201 AromaticContact CD1-CH2 3.53Å; F170-W201 HydrophobicContact CD1-CH2 3.53Å; F170-W201 AromaticContact CD1-CZ3 3.81Å; F170-W201 HydrophobicContact CD1-CZ3 3.81Å; F170-W201 AromaticContact CE1-CH2 3.8Å; F170-W201 HydrophobicContact CE1-CH2 3.8Å; F170-W201 HydrophobicContact CE1-CZ3 4.12Å; V184-W201 HydrophobicContact CB-CH2 4.32Å; V184-W201 HydrophobicContact CB-CZ2 4.34Å; V184-W201 HydrophobicContact CB-CZ3 4.43Å; V184-W201 HydrophobicContact CG1-CD2 3.96Å; V184-W201 HydrophobicContact CG1-CE3 4.42Å; V184-W201 HydrophobicContact CG1-CG 4.3Å; V184-W201 HydrophobicContact CG1-CH2 4.47Å; V184-W201 HydrophobicContact CG1-CZ2 4.04Å; V184-W201 HydrophobicContact CG2-CD2 4.09Å; V184-W201 HydrophobicContact CG2-CE3 3.71Å; V184-W201 HydrophobicContact CG2-CH2 4.07Å; V184-W201 HydrophobicContact CG2-CZ2 4.44Å; V184-W201 HydrophobicContact CG2-CZ3 3.7Å; T187-W201 HydrophobicContact CG2-CH2 4.42Å; S188-W201 WeakPolarHBondContact OG-CZ2 3.45Å; S188-W201 PolarHBondContact OG-NE1 3.36Å; S188-W201 VanDerWaalsContact OG-NE1 3.15Å; L198-W201 HydrophobicContact CB-CZ2 4.25Å; L198-W201 HydrophobicContact CD1-CH2 3.98Å; L198-W201 HydrophobicContact CD1-CZ2 3.49Å; L198-W201 VanDerWaalsContact CD1-CZ2 3.49Å; T199-W201 PolarHBondContact O-N 2.68Å; W201-L209 HydrophobicContact CB-CD2 4.02Å; W201-L212 HydrophobicContact CB-CD1 4.03Å; W201-L212 HydrophobicContact CG-CD1 4.09Å; W201-D216 PolarHBondContact N-O 2.96Å; W201-V217 WeakPolarHBondContact O-CA 3.24Å; W201-Q218 PolarHBondContact O-N 2.7Å
202	S	84.1	Confident	81.5	Confident	40 Å²	40	73.4 Å²	73.4	28%	0.28	41%	0.414	S	S	.	.			trans	-133.5	137.9	176.2	64.8	0	0	0	0	109.2	K200	K200-S202 PolarHBondContact O-N 3.38Å
203	G	78.7	Confident	81.4	Confident	25 Å²	25	70.6 Å²	70.6	26%	0.258	41%	0.41	S	S	.	.			trans	-148.2	160.9	-176.5	0	0	0	0	0	111.3	V205	G203-V205 VanDerWaalsContact C-N 3.32Å
204	N	75.2	Confident	81.3	Confident	111 Å²	111	77.2 Å²	77.2	59%	0.594	43%	0.426	S	S	*	.	S	Bend	trans	-80.1	-12.9	178	50.9	-52	0	0	0	113.3	R31	R31-N204 PolarHBondContact NH1-ND2 2.98Å; R31-N204 PolarHBondContact NH1-OD1 2.75Å; R31-N204 VanDerWaalsContact NH2-CG 3.33Å; R31-N204 PolarHBondContact NH2-OD1 3.42Å
205	V	76.8	Confident	81.6	Confident	52 Å²	52	78.8 Å²	78.8	32%	0.315	44%	0.438	S	S	.	.	S	Bend	trans	-126.8	115	177.3	-179	0	0	0	0	108.5	V177 G203 E207 S208	V177-V205 HydrophobicContact CG2-CG1 3.89Å; G203-V205 VanDerWaalsContact C-N 3.32Å; V205-E207 VanDerWaalsContact C-N 3.29Å; V205-E207 HydrophobicContact CG1-CB 4.14Å; V205-E207 PolarHBondContact O-N 3.33Å; V205-S208 WeakPolarHBondContact O-CB 3.33Å; V205-S208 PolarHBondContact O-N 3.48Å; V205-S208 VanDerWaalsContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 2.89Å
206	Q	77.6	Confident	81.7	Confident	111 Å²	111	76.5 Å²	76.5	52%	0.519	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-66	-32.9	-172.8	-159.8	67.4	1.9	0	0	112.7	S208 L209 E210	Q206-S208 PolarHBondContact O-N 3.04Å; Q206-S208 VanDerWaalsContact O-N 3.14Å; Q206-L209 PolarHBondContact O-N 2.93Å; Q206-E210 PolarHBondContact O-N 2.87Å
207	E	82.7	Confident	81.6	Confident	113 Å²	113	72.4 Å²	72.4	53%	0.528	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.1	175	-71.7	158.5	142.1	0	0	112.6	V177 R181 V205 L209 E210	V177-E207 HydrophobicContact CG1-CB 4.07Å; R181-E207 PolarHBondContact NE-O 2.98Å; V205-E207 VanDerWaalsContact C-N 3.29Å; V205-E207 HydrophobicContact CG1-CB 4.14Å; V205-E207 PolarHBondContact O-N 3.33Å; E207-L209 PolarHBondContact O-N 3.45Å; E207-E210 PolarHBondContact O-N 2.89Å
208	S	81.7	Confident	81.1	Confident	12 Å²	12	69 Å²	69	8%	0.084	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69.3	-17.9	176.6	70.6	0	0	0	0	114	R181 V205 Q206	R181-S208 WeakPolarHBondContact CG-O 3.48Å; V205-S208 WeakPolarHBondContact O-CB 3.33Å; V205-S208 PolarHBondContact O-N 3.48Å; V205-S208 VanDerWaalsContact O-N 3.09Å; V205-S208 PolarHBondContact O-OG 2.89Å; Q206-S208 PolarHBondContact O-N 3.04Å; Q206-S208 VanDerWaalsContact O-N 3.14Å
209	L	84.2	Confident	80.1	Confident	9 Å²	9	74.5 Å²	74.5	5%	0.047	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-107.3	-2.9	-178.3	-56.2	-177	0	0	0	112.7	V184 W201 Q206 E207 G211 L212 V217	V184-L209 HydrophobicContact CG2-CD2 4.3Å; W201-L209 HydrophobicContact CB-CD2 4.02Å; Q206-L209 PolarHBondContact O-N 2.93Å; E207-L209 PolarHBondContact O-N 3.45Å; L209-G211 PolarHBondContact O-N 2.99Å; L209-L212 HydrophobicContact CB-CD1 4.15Å; L209-L212 HydrophobicContact CD2-CD1 4.1Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 WeakPolarHBondContact O-CG 3.38Å; L209-L212 PolarHBondContact O-N 3.13Å; L209-V217 HydrophobicContact CB-CG2 4.46Å; L209-V217 HydrophobicContact CD1-CG1 4.01Å
210	E	82	Confident	79.8	Confident	104 Å²	104	75.2 Å²	75.2	49%	0.486	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	130.5	177.8	-79.6	178.3	-179.4	0	0	111.7	R181 Q206 E207	R181-E210 PolarHBondContact NH2-O 2.8Å; R181-E210 IonicContact NH2-OE2 2.81Å; R181-E210 PolarHBondContact NH2-OE2 3.1Å; Q206-E210 PolarHBondContact O-N 2.87Å; E207-E210 PolarHBondContact O-N 2.89Å
211	G	81	Confident	79.5	Confident	85 Å²	85	72.1 Å²	72.1	88%	0.876	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-8.5	-176.8	0	0	0	0	0	113.9	L209	L209-G211 PolarHBondContact O-N 2.99Å
212	L	82.8	Confident	79.1	Confident	50 Å²	50	74.5 Å²	74.5	26%	0.262	44%	0.435	S	S	.	.	S	Bend	trans	-79	150.8	170.9	-65	169.6	0	0	0	111.6	V184 W201 L209 V217	V184-L212 HydrophobicContact CG1-CD1 3.7Å; V184-L212 HydrophobicContact CG1-CD2 3.76Å; V184-L212 HydrophobicContact CG1-CG 4.17Å; W201-L212 HydrophobicContact CB-CD1 4.03Å; W201-L212 HydrophobicContact CG-CD1 4.09Å; L209-L212 HydrophobicContact CB-CD1 4.15Å; L209-L212 HydrophobicContact CD2-CD1 4.1Å; L209-L212 WeakPolarHBondContact O-CB 3.27Å; L209-L212 WeakPolarHBondContact O-CG 3.38Å; L209-L212 PolarHBondContact O-N 3.13Å; L212-V217 HydrophobicContact CB-CG2 3.66Å; L212-V217 HydrophobicContact CD1-CG2 3.93Å; L212-V217 HydrophobicContact CG-CG2 4.47Å
213	A	82.7	Confident	78.8	Confident	55 Å²	55	76.5 Å²	76.5	46%	0.455	44%	0.444	S	S	.	.			trans	-61.2	140.6	169.9	0	0	0	0	0	109.8	A215 D216	A213-A215 PolarHBondContact O-N 3.47Å; A213-D216 WeakPolarHBondContact O-CA 3.18Å; A213-D216 PolarHBondContact O-N 3.18Å
214	R	77.6	Confident	78.8	Confident	224 Å²	224	79.8 Å²	79.8	85%	0.845	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-57.4	-27.7	-178.6	-162.4	177.4	-179.3	171	1.1	113.3	D216	R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 PolarHBondContact O-N 3.36Å
215	A	82.4	Confident	79.1	Confident	80 Å²	80	77.7 Å²	77.7	66%	0.661	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-71.3	-19.7	175.4	0	0	0	0	0	113.8	A213	A213-A215 PolarHBondContact O-N 3.47Å
216	D	83	Confident	79.2	Confident	23 Å²	23	79.5 Å²	79.5	12%	0.123	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-99.8	-2	-175.9	-63.3	-23.3	0	0	0	112.4	R197 K200 W201 A213 R214	R197-D216 IonicContact CZ-OD1 3.94Å; R197-D216 IonicContact CZ-OD2 2.85Å; R197-D216 IonicContact NE-OD1 3.34Å; R197-D216 IonicContact NH1-OD1 3.96Å; R197-D216 IonicContact NH2-OD1 2.96Å; R197-D216 PolarHBondContact NH2-OD1 3Å; R197-D216 IonicContact NH2-OD2 3.4Å; R197-D216 PolarHBondContact NH2-OD2 2.74Å; K200-D216 CarbonylContact C-O 3.43Å; K200-D216 WeakPolarHBondContact CA-O 3.18Å; K200-D216 PolarHBondContact N-O 3.44Å; W201-D216 PolarHBondContact N-O 2.96Å; A213-D216 WeakPolarHBondContact O-CA 3.18Å; A213-D216 PolarHBondContact O-N 3.18Å; R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 PolarHBondContact O-N 3.36Å
217	V	80.3	Confident	79.3	Confident	22 Å²	22	77.1 Å²	77.1	13%	0.133	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-108.1	133.6	176.2	-179.4	0	0	0	0	109.6	W201 L209 L212	W201-V217 WeakPolarHBondContact O-CA 3.24Å; L209-V217 HydrophobicContact CB-CG2 4.46Å; L209-V217 HydrophobicContact CD1-CG1 4.01Å; L212-V217 HydrophobicContact CB-CG2 3.66Å; L212-V217 HydrophobicContact CD1-CG2 3.93Å; L212-V217 HydrophobicContact CG-CG2 4.47Å
218	Q	72.3	Confident	79.1	Confident	78 Å²	78	74.1 Å²	74.1	36%	0.364	44%	0.444	S	S	.	.			trans	-96.2	104.5	169.9	-174.1	157.2	-19.6	0	0	108.8	K200 W201	K200-Q218 HydrophobicContact CB-CB 4.03Å; W201-Q218 PolarHBondContact O-N 2.7Å
219	C	58.7	Low	78.8	Confident	147 Å²	147	79.7 Å²	79.7	99%	0.993	48%	0.477	S	S	*	.			trans	-68.2	0	173.7	-60	0	0	0	0	112.2

Retrieved 219 of 219 residues in 75.8 ms (Link to these results)

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