A0A077Z883_TRITR Loading...

TP6A N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z883, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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	R	48.7	Very low	50.8	Low	222 Å²	222	109.3 Å²	109.3	84%	0.838	52%	0.518	S	S	*	.				0	125.3	0	-79.5	-178.4	175.5	-170.4	-6.9	106.6	E5 D60	R1-E5 VanDerWaalsContact CA-OE2 3.26Å; R1-E5 WeakPolarHBondContact CA-OE2 3.46Å; R1-D60 IonicContact NH2-OD1 2.89Å
2	S	51	Low	51.6	Low	56 Å²	56	102.8 Å²	102.8	39%	0.392	49%	0.485	S	S	.	.			trans	-68.2	158.8	-178.1	69.4	0	0	0	0	110.7	E4 E5 T6	S2-E4 PolarHBondContact O-N 2.81Å; S2-E5 PolarHBondContact N-OE2 2.95Å; S2-E5 PolarHBondContact O-N 3.44Å; S2-E5 WeakPolarHBondContact OG-CG 3.3Å; S2-E5 PolarHBondContact OG-N 3.38Å; S2-T6 PolarHBondContact O-N 2.65Å; S2-T6 PolarHBondContact O-OG1 3.01Å
3	F	48.1	Very low	52.2	Low	169 Å²	169	96.7 Å²	96.7	74%	0.741	46%	0.457	S	S	*	.	H	α-helix	trans	-54.5	-38.9	174.4	176.7	-100.5	0	0	0	111.6	T6 L7	F3-T6 PolarHBondContact O-N 3.39Å; F3-L7 HydrophobicContact CE1-CD2 4.48Å; F3-L7 PolarHBondContact O-N 3.3Å
4	E	47.2	Very low	52.9	Low	152 Å²	152	100.6 Å²	100.6	71%	0.71	47%	0.465	S	S	*	.	H	α-helix	trans	-62.6	-43	177.4	-62.9	-179.2	159.6	0	0	112.9	S2 T6 L7 A8	S2-E4 PolarHBondContact O-N 2.81Å; E4-T6 VanDerWaalsContact C-N 3.27Å; E4-T6 PolarHBondContact O-N 3.2Å; E4-L7 PolarHBondContact O-N 3.44Å; E4-A8 WeakPolarHBondContact O-CB 3.43Å; E4-A8 PolarHBondContact O-N 2.77Å
5	E	48.5	Very low	53.5	Low	72 Å²	72	107.4 Å²	107.4	34%	0.336	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-37.2	176.2	-73	-178	138.9	0	0	111.7	R1 S2 Y9 R56	R1-E5 VanDerWaalsContact CA-OE2 3.26Å; R1-E5 WeakPolarHBondContact CA-OE2 3.46Å; S2-E5 PolarHBondContact N-OE2 2.95Å; S2-E5 PolarHBondContact O-N 3.44Å; S2-E5 WeakPolarHBondContact OG-CG 3.3Å; S2-E5 PolarHBondContact OG-N 3.38Å; E5-Y9 WeakPolarHBondContact O-CB 3.43Å; E5-Y9 PolarHBondContact O-N 3.26Å; E5-R56 IonicContact OE1-CZ 2.55Å; E5-R56 IonicContact OE1-NH1 3.37Å; E5-R56 PolarHBondContact OE1-NH1 2.88Å; E5-R56 IonicContact OE1-NH2 2.8Å
6	T	44.6	Very low	53.7	Low	78 Å²	78	102.2 Å²	102.2	48%	0.479	46%	0.463	S	S	.	.	H	α-helix	trans	-71.5	-41.3	179.3	-52.3	0	0	0	0	111.3	S2 F3 E4 Y9 Y10	S2-T6 PolarHBondContact O-N 2.65Å; S2-T6 PolarHBondContact O-OG1 3.01Å; F3-T6 PolarHBondContact O-N 3.39Å; E4-T6 VanDerWaalsContact C-N 3.27Å; E4-T6 PolarHBondContact O-N 3.2Å; T6-Y9 PolarHBondContact O-N 3.38Å; T6-Y10 PolarHBondContact O-N 3.47Å
7	L	49.3	Very low	53.9	Low	77 Å²	77	97.2 Å²	97.2	40%	0.403	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-41.8	177.2	-174.8	63.9	0	0	0	111.7	F3 E4 Y9 Y10 Q11	F3-L7 HydrophobicContact CE1-CD2 4.48Å; F3-L7 PolarHBondContact O-N 3.3Å; E4-L7 PolarHBondContact O-N 3.44Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 3.36Å; L7-Y10 PolarHBondContact O-N 2.81Å; L7-Q11 WeakPolarHBondContact O-CB 3.2Å; L7-Q11 WeakPolarHBondContact O-CG 3.18Å; L7-Q11 PolarHBondContact O-N 3.21Å
8	A	53.5	Low	54.4	Low	56 Å²	56	99.9 Å²	99.9	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-43.4	173.8	0	0	0	0	0	111.1	E4 Q11 Y12	E4-A8 WeakPolarHBondContact O-CB 3.43Å; E4-A8 PolarHBondContact O-N 2.77Å; A8-Q11 PolarHBondContact O-N 3.3Å; A8-Y12 WeakPolarHBondContact O-CB 3.28Å; A8-Y12 PolarHBondContact O-N 2.94Å
9	Y	53	Low	54.5	Low	60 Å²	60	96.7 Å²	96.7	24%	0.235	44%	0.439	C	S	.	.	H	α-helix	trans	-63.1	-40.7	175.2	-173.3	-105.8	0	0	0	112.5	E5 T6 L7 Y12 L13 I63	E5-Y9 WeakPolarHBondContact O-CB 3.43Å; E5-Y9 PolarHBondContact O-N 3.26Å; T6-Y9 PolarHBondContact O-N 3.38Å; L7-Y9 VanDerWaalsContact C-N 3.32Å; L7-Y9 PolarHBondContact O-N 3.36Å; Y9-Y12 WeakPolarHBondContact O-CB 3.42Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y9-L13 HydrophobicContact CD1-CD1 3.84Å; Y9-L13 HydrophobicContact CD1-CG 4.29Å; Y9-L13 HydrophobicContact CE1-CD1 3.35Å; Y9-L13 HydrophobicContact CE1-CG 3.96Å; Y9-L13 WeakPolarHBondContact O-CB 3.42Å; Y9-L13 WeakPolarHBondContact O-CG 3.26Å; Y9-L13 PolarHBondContact O-N 2.85Å; Y9-I63 VanDerWaalsContact OH-CG2 3.31Å; Y9-I63 WeakPolarHBondContact OH-CG2 3.22Å
10	Y	56	Low	54.5	Low	156 Å²	156	92.1 Å²	92.1	61%	0.612	42%	0.418	S	S	*	.	H	α-helix	trans	-67.3	-46	176.5	-174.5	-91.6	0	0	0	112.5	T6 L7 Y12 L13 R14	T6-Y10 PolarHBondContact O-N 3.47Å; L7-Y10 PolarHBondContact O-N 2.81Å; Y10-Y12 PolarHBondContact O-N 2.77Å; Y10-L13 PolarHBondContact O-N 2.9Å; Y10-R14 VanDerWaalsContact O-CB 3.3Å; Y10-R14 WeakPolarHBondContact O-CB 3.46Å; Y10-R14 PolarHBondContact O-N 2.92Å
11	Q	58.8	Low	54.6	Low	104 Å²	104	91.2 Å²	91.2	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-35.9	175.3	-71.6	178.7	-0.6	0	0	111.4	L7 A8 R14 R15	L7-Q11 WeakPolarHBondContact O-CB 3.2Å; L7-Q11 WeakPolarHBondContact O-CG 3.18Å; L7-Q11 PolarHBondContact O-N 3.21Å; A8-Q11 PolarHBondContact O-N 3.3Å; Q11-R14 PolarHBondContact O-N 3.47Å; Q11-R15 WeakPolarHBondContact O-CG 3.18Å; Q11-R15 PolarHBondContact O-N 3Å
12	Y	60.5	Low	55	Low	31 Å²	31	82.7 Å²	82.7	12%	0.122	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-52.4	174.7	175	-105.7	0	0	0	112.4	A8 Y9 Y10 R14 R15 L16 L54 F55	A8-Y12 WeakPolarHBondContact O-CB 3.28Å; A8-Y12 PolarHBondContact O-N 2.94Å; Y9-Y12 WeakPolarHBondContact O-CB 3.42Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y10-Y12 PolarHBondContact O-N 2.77Å; Y12-R14 PolarHBondContact O-N 2.78Å; Y12-R15 PolarHBondContact O-N 2.88Å; Y12-L16 HydrophobicContact CD1-CD1 4.15Å; Y12-L16 HydrophobicContact CE1-CD1 3.4Å; Y12-L16 HydrophobicContact CE1-CG 4.25Å; Y12-L16 HydrophobicContact CE2-CD1 4.13Å; Y12-L16 HydrophobicContact CE2-CG 4.18Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.41Å; Y12-L16 PolarHBondContact O-N 2.97Å; Y12-L16 WeakPolarHBondContact OH-CD1 3.4Å; Y12-L54 HydrophobicContact CD2-CB 4.39Å; Y12-L54 HydrophobicContact CD2-CD1 3.92Å; Y12-L54 HydrophobicContact CE2-CB 3.73Å; Y12-L54 HydrophobicContact CE2-CD1 3.39Å; Y12-L54 HydrophobicContact CE2-CG 4.17Å; Y12-F55 HydrophobicContact CE1-CD1 4.21Å; Y12-F55 AromaticContact CE1-CE1 3.48Å; Y12-F55 HydrophobicContact CE1-CE1 3.48Å; Y12-F55 VanDerWaalsContact CE1-CE1 3.48Å; Y12-F55 AromaticContact CE1-CZ 3.7Å; Y12-F55 HydrophobicContact CE1-CZ 3.7Å; Y12-F55 AromaticContact CZ-CE1 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.65Å; Y12-F55 WeakPolarHBondContact OH-CE1 3.22Å; Y12-F55 WeakPolarHBondContact OH-CE2 3.27Å; Y12-F55 WeakPolarHBondContact OH-CZ 3.29Å
13	L	58.9	Low	55.1	Low	24 Å²	24	83.7 Å²	83.7	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-57.2	-40.5	173.8	-75	-179.3	0	0	0	110.6	Y9 Y10 R15 L16 T17 A64 I67	Y9-L13 HydrophobicContact CD1-CD1 3.84Å; Y9-L13 HydrophobicContact CD1-CG 4.29Å; Y9-L13 HydrophobicContact CE1-CD1 3.35Å; Y9-L13 HydrophobicContact CE1-CG 3.96Å; Y9-L13 WeakPolarHBondContact O-CB 3.42Å; Y9-L13 WeakPolarHBondContact O-CG 3.26Å; Y9-L13 PolarHBondContact O-N 2.85Å; Y10-L13 PolarHBondContact O-N 2.9Å; L13-R15 PolarHBondContact O-N 2.78Å; L13-L16 PolarHBondContact O-N 3.23Å; L13-T17 VanDerWaalsContact O-CB 3.26Å; L13-T17 WeakPolarHBondContact O-CB 3.17Å; L13-T17 VanDerWaalsContact O-CG2 3.24Å; L13-T17 WeakPolarHBondContact O-CG2 3.27Å; L13-T17 PolarHBondContact O-N 2.86Å; L13-T17 PolarHBondContact O-OG1 3.45Å; L13-A64 HydrophobicContact CD2-CB 4.03Å; L13-I67 HydrophobicContact CD1-CD1 3.76Å; L13-I67 HydrophobicContact CD2-CD1 4.2Å
14	R	63.1	Low	55.5	Low	151 Å²	151	80 Å²	80	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-42.2	174.4	-172.2	178	173.4	-170	-1.1	111.7	Y10 Q11 Y12 L16 T17 Y18	Y10-R14 VanDerWaalsContact O-CB 3.3Å; Y10-R14 WeakPolarHBondContact O-CB 3.46Å; Y10-R14 PolarHBondContact O-N 2.92Å; Q11-R14 PolarHBondContact O-N 3.47Å; Y12-R14 PolarHBondContact O-N 2.78Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L16 PolarHBondContact O-N 2.73Å; R14-T17 WeakPolarHBondContact CA-OG1 3.06Å; R14-T17 PolarHBondContact O-N 3.14Å; R14-Y18 WeakPolarHBondContact O-CA 3.4Å; R14-Y18 WeakPolarHBondContact O-CB 3.36Å; R14-Y18 PolarHBondContact O-N 2.92Å
15	R	60.8	Low	55.6	Low	203 Å²	203	81.4 Å²	81.4	77%	0.766	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-34	176.7	-77.1	-177.6	-177.5	-167.9	2.1	113.2	Q11 Y12 L13 P19	Q11-R15 WeakPolarHBondContact O-CG 3.18Å; Q11-R15 PolarHBondContact O-N 3Å; Y12-R15 PolarHBondContact O-N 2.88Å; L13-R15 PolarHBondContact O-N 2.78Å; R15-P19 WeakPolarHBondContact O-CD 3.35Å; R15-P19 WeakPolarHBondContact O-CG 3.26Å
16	L	57.3	Low	55.8	Low	24 Å²	24	84 Å²	84	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-75.3	-41.1	175.2	-71.1	179.2	0	0	0	112.4	Y12 L13 R14 L20 I47 F55	Y12-L16 HydrophobicContact CD1-CD1 4.15Å; Y12-L16 HydrophobicContact CE1-CD1 3.4Å; Y12-L16 HydrophobicContact CE1-CG 4.25Å; Y12-L16 HydrophobicContact CE2-CD1 4.13Å; Y12-L16 HydrophobicContact CE2-CG 4.18Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.41Å; Y12-L16 PolarHBondContact O-N 2.97Å; Y12-L16 WeakPolarHBondContact OH-CD1 3.4Å; L13-L16 PolarHBondContact O-N 3.23Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L16 PolarHBondContact O-N 2.73Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.06Å; L16-L20 WeakPolarHBondContact O-CG 2.84Å; L16-I47 HydrophobicContact CD2-CG2 3.28Å; L16-F55 HydrophobicContact CD1-CZ 4.36Å
17	T	58	Low	56	Low	17 Å²	17	81.9 Å²	81.9	10%	0.104	38%	0.375	C	S	.	.	H	α-helix	trans	-85.1	-27.5	-174.5	56.3	0	0	0	0	112.7	L13 R14 L20 L21 I71	L13-T17 VanDerWaalsContact O-CB 3.26Å; L13-T17 WeakPolarHBondContact O-CB 3.17Å; L13-T17 VanDerWaalsContact O-CG2 3.24Å; L13-T17 WeakPolarHBondContact O-CG2 3.27Å; L13-T17 PolarHBondContact O-N 2.86Å; L13-T17 PolarHBondContact O-OG1 3.45Å; R14-T17 WeakPolarHBondContact CA-OG1 3.06Å; R14-T17 PolarHBondContact O-N 3.14Å; T17-L20 CarbonylContact O-C 3.58Å; T17-L20 WeakPolarHBondContact O-CA 3.27Å; T17-L20 WeakPolarHBondContact O-CB 3.49Å; T17-L20 PolarHBondContact O-N 3.35Å; T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 2.74Å; T17-I71 HydrophobicContact CG2-CD1 3.53Å
18	Y	62.2	Low	56	Low	146 Å²	146	87.6 Å²	87.6	57%	0.573	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-45	-178	-169.3	-92.5	0	0	0	113.2	R14 L20 L21 S22	R14-Y18 WeakPolarHBondContact O-CA 3.4Å; R14-Y18 WeakPolarHBondContact O-CB 3.36Å; R14-Y18 PolarHBondContact O-N 2.92Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 2.92Å; Y18-L21 PolarHBondContact O-N 3.07Å; Y18-S22 WeakPolarHBondContact O-CB 3.34Å; Y18-S22 PolarHBondContact O-N 2.89Å; Y18-S22 PolarHBondContact O-OG 2.91Å
19	P	56.9	Low	55.6	Low	39 Å²	39	91.9 Å²	91.9	25%	0.253	41%	0.407	S	S	.	.	H	α-helix	trans	-56	-43.9	169.9	-24	33.9	0	0	0	111.2	R15 L21 S22 F23	R15-P19 WeakPolarHBondContact O-CD 3.35Å; R15-P19 WeakPolarHBondContact O-CG 3.26Å; P19-L21 PolarHBondContact O-N 3.44Å; P19-S22 WeakPolarHBondContact CA-OG 3.19Å; P19-S22 PolarHBondContact O-N 3.16Å; P19-S22 PolarHBondContact O-OG 3.14Å; P19-F23 WeakPolarHBondContact O-CB 3.21Å; P19-F23 VanDerWaalsContact O-CD2 3.25Å; P19-F23 WeakPolarHBondContact O-CD2 3.37Å; P19-F23 PolarHBondContact O-N 2.82Å
20	L	54.8	Low	55.3	Low	4 Å²	4	93.1 Å²	93.1	2%	0.021	42%	0.417	C	S	.	.	H	α-helix	trans	-66.6	-39.1	-178.5	-58.2	172.1	0	0	0	112.9	L16 T17 Y18 R24 F44 A68 L72	L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.06Å; L16-L20 WeakPolarHBondContact O-CG 2.84Å; T17-L20 CarbonylContact O-C 3.58Å; T17-L20 WeakPolarHBondContact O-CA 3.27Å; T17-L20 WeakPolarHBondContact O-CB 3.49Å; T17-L20 PolarHBondContact O-N 3.35Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 2.92Å; L20-R24 WeakPolarHBondContact O-CB 3.28Å; L20-R24 PolarHBondContact O-N 2.67Å; L20-F44 HydrophobicContact CD1-CD2 3.49Å; L20-F44 VanDerWaalsContact CD1-CD2 3.49Å; L20-F44 HydrophobicContact CD1-CE2 3.52Å; L20-F44 HydrophobicContact CD2-CD2 3.84Å; L20-F44 HydrophobicContact CG-CD2 4.28Å; L20-A68 HydrophobicContact CD1-CB 4.42Å; L20-L72 HydrophobicContact CB-CD2 3.94Å; L20-L72 HydrophobicContact CB-CG 4.5Å; L20-L72 HydrophobicContact CD1-CD1 4.12Å; L20-L72 HydrophobicContact CD2-CD1 4.17Å; L20-L72 HydrophobicContact CG-CD1 4.49Å
21	L	56.5	Low	54.9	Low	75 Å²	75	94.1 Å²	94.1	39%	0.393	43%	0.427	S	S	.	.	H	α-helix	trans	-69	-40.7	175	-72.7	167.4	0	0	0	110.8	T17 Y18 P19 R24 Y25 I71	T17-L21 WeakPolarHBondContact O-CB 3.36Å; T17-L21 VanDerWaalsContact O-CG 3.28Å; T17-L21 WeakPolarHBondContact O-CG 3.42Å; T17-L21 PolarHBondContact O-N 2.74Å; Y18-L21 PolarHBondContact O-N 3.07Å; P19-L21 PolarHBondContact O-N 3.44Å; L21-R24 PolarHBondContact O-N 3.39Å; L21-Y25 WeakPolarHBondContact O-CB 3.43Å; L21-Y25 PolarHBondContact O-N 3.37Å; L21-I71 HydrophobicContact CD2-CG2 3.76Å; L21-I71 HydrophobicContact CG-CG2 4.33Å
22	S	55.8	Low	54.3	Low	42 Å²	42	94 Å²	94	29%	0.294	44%	0.436	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175.2	70.8	0	0	0	0	111.9	Y18 P19 Y25 Q26	Y18-S22 WeakPolarHBondContact O-CB 3.34Å; Y18-S22 PolarHBondContact O-N 2.89Å; Y18-S22 PolarHBondContact O-OG 2.91Å; P19-S22 WeakPolarHBondContact CA-OG 3.19Å; P19-S22 PolarHBondContact O-N 3.16Å; P19-S22 PolarHBondContact O-OG 3.14Å; S22-Y25 PolarHBondContact O-N 3.16Å; S22-Q26 WeakPolarHBondContact O-CG 3.39Å; S22-Q26 PolarHBondContact O-N 2.74Å
23	F	53.7	Low	53.4	Low	78 Å²	78	95.9 Å²	95.9	34%	0.342	45%	0.451	S	S	.	.	H	α-helix	trans	-64.3	-41.3	173	-93.3	-73.8	0	0	0	112	P19 Y25 Q26 G27	P19-F23 WeakPolarHBondContact O-CB 3.21Å; P19-F23 VanDerWaalsContact O-CD2 3.25Å; P19-F23 WeakPolarHBondContact O-CD2 3.37Å; P19-F23 PolarHBondContact O-N 2.82Å; F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 2.62Å; F23-Q26 PolarHBondContact O-N 3.01Å; F23-G27 PolarHBondContact O-N 2.73Å
24	R	55.4	Low	52.9	Low	90 Å²	90	100.6 Å²	100.6	34%	0.34	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-35.6	175.4	-168.9	173.2	-174.1	-175.5	-3.3	111.9	L20 L21 I71 E73	L20-R24 WeakPolarHBondContact O-CB 3.28Å; L20-R24 PolarHBondContact O-N 2.67Å; L21-R24 PolarHBondContact O-N 3.39Å; R24-I71 PolarHBondContact NH1-O 3.16Å; R24-E73 IonicContact CZ-OE1 3.9Å; R24-E73 VanDerWaalsContact CZ-OE1 3.31Å; R24-E73 IonicContact NH1-OE1 2.96Å; R24-E73 PolarHBondContact NH1-OE1 2.93Å; R24-E73 IonicContact NH2-OE1 3.89Å; R24-E73 PolarHBondContact NH2-OE1 3.29Å; R24-E73 IonicContact NH2-OE2 3.69Å; R24-E73 PolarHBondContact NH2-OE2 2.7Å; R24-E73 VanDerWaalsContact NH2-OE2 3.15Å
25	Y	51.1	Low	51.9	Low	183 Å²	183	97 Å²	97	72%	0.718	47%	0.474	S	S	*	.	H	α-helix	trans	-69.9	-40.5	175.9	-116.9	-91.1	0	0	0	112.4	L21 S22 F23	L21-Y25 WeakPolarHBondContact O-CB 3.43Å; L21-Y25 PolarHBondContact O-N 3.37Å; S22-Y25 PolarHBondContact O-N 3.16Å; F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 2.62Å
26	Q	51.9	Low	51.1	Low	125 Å²	125	92.8 Å²	92.8	58%	0.584	46%	0.459	S	S	*	.	H	α-helix	trans	-69.7	-36.8	177.2	-75.4	168.8	-27.8	0	0	112.3	S22 F23 R28	S22-Q26 WeakPolarHBondContact O-CG 3.39Å; S22-Q26 PolarHBondContact O-N 2.74Å; F23-Q26 PolarHBondContact O-N 3.01Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.44Å
27	G	48.7	Very low	50.9	Low	34 Å²	34	96.7 Å²	96.7	35%	0.351	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	0.8	179.4	0	0	0	0	0	116.1	F23 N29	F23-G27 PolarHBondContact O-N 2.73Å; G27-N29 VanDerWaalsContact C-N 3.34Å
28	R	49	Very low	50.9	Low	197 Å²	197	101 Å²	101	74%	0.743	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.4	176.4	-125.7	-176.1	-161.1	-178.7	5.4	113.4	Q26	Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.44Å
29	N	46.1	Very low	50.6	Low	146 Å²	146	97.9 Å²	97.9	78%	0.781	49%	0.489	S	S	*	.	S	Bend	trans	-102.8	-9.3	-178.9	-68.4	-18	0	0	0	113.6	G27	G27-N29 VanDerWaalsContact C-N 3.34Å
30	D	46.5	Very low	50.7	Low	86 Å²	86	98 Å²	98	46%	0.46	49%	0.486	S	S	.	.	S	Bend	trans	-123.1	137.4	-177.8	-63.3	-31.8	0	0	0	109.8	Y36	D30-Y36 PolarHBondContact OD2-OH 3.36Å
31	E	46.1	Very low	51.1	Low	177 Å²	177	98.9 Å²	98.9	83%	0.827	49%	0.49	S	S	*	.			trans	-56	134.2	170.4	-78.5	-166.1	157.5	0	0	110.1	T33	E31-T33 PolarHBondContact O-N 2.79Å
32	P	48.1	Very low	51.2	Low	102 Å²	102	98.3 Å²	98.3	66%	0.662	49%	0.492	S	S	*	.			trans	-70.1	92.3	-174.2	27	-33.2	0	0	0	110.8
33	T	41.8	Very low	51.4	Low	71 Å²	71	97.8 Å²	97.8	44%	0.436	49%	0.487	S	S	.	.			trans	-71.2	149.7	170.6	55.5	0	0	0	0	110.6	E31 S35 Y36	E31-T33 PolarHBondContact O-N 2.79Å; T33-S35 PolarHBondContact O-N 2.84Å; T33-S35 VanDerWaalsContact O-N 3.07Å; T33-S35 PolarHBondContact OG1-OG 3.09Å; T33-Y36 PolarHBondContact O-N 3.44Å; T33-Y36 WeakPolarHBondContact OG1-CD2 3.39Å; T33-Y36 WeakPolarHBondContact OG1-CE2 3.32Å
34	N	48.3	Very low	51.7	Low	123 Å²	123	94.8 Å²	94.8	66%	0.658	47%	0.474	S	S	*	.	H	α-helix	trans	-58.4	-26.8	-173.8	-155.1	15.7	0	0	0	113.1	I38	N34-I38 WeakPolarHBondContact O-CG1 3.2Å; N34-I38 PolarHBondContact O-N 2.88Å
35	S	40.5	Very low	52	Low	74 Å²	74	95.9 Å²	95.9	52%	0.517	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-37.9	174.3	52.8	0	0	0	0	113	T33 I38 N39	T33-S35 PolarHBondContact O-N 2.84Å; T33-S35 VanDerWaalsContact O-N 3.07Å; T33-S35 PolarHBondContact OG1-OG 3.09Å; S35-I38 PolarHBondContact O-N 3.17Å; S35-N39 PolarHBondContact O-N 3.31Å; S35-N39 VanDerWaalsContact O-N 3.09Å
36	Y	45.2	Very low	52.4	Low	115 Å²	115	89.5 Å²	89.5	45%	0.451	46%	0.46	S	S	.	.	H	α-helix	trans	-67.1	-40.8	179.3	-81.5	-108.9	0	0	0	111.6	D30 T33 N39 K40	D30-Y36 PolarHBondContact OD2-OH 3.36Å; T33-Y36 PolarHBondContact O-N 3.44Å; T33-Y36 WeakPolarHBondContact OG1-CD2 3.39Å; T33-Y36 WeakPolarHBondContact OG1-CE2 3.32Å; Y36-N39 PolarHBondContact O-N 2.91Å; Y36-K40 PolarHBondContact O-N 2.9Å
37	K	53.5	Low	53	Low	107 Å²	107	85 Å²	85	47%	0.465	44%	0.44	S	S	.	.	H	α-helix	trans	-61.3	-47.8	176	-71.6	-173.1	178.3	-178.9	0	111.3	N39 K40 H41	K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 2.83Å; K37-K40 PolarHBondContact O-N 3.24Å; K37-H41 PolarHBondContact O-CD2 3.15Å; K37-H41 VanDerWaalsContact O-CG 3.3Å; K37-H41 PolarHBondContact O-N 3.4Å; K37-H41 VanDerWaalsContact O-N 3.12Å; K37-H41 PolarHBondContact O-NE2 3.47Å
38	I	56.7	Low	53.7	Low	107 Å²	107	84.7 Å²	84.7	55%	0.549	43%	0.429	S	S	.	.	H	α-helix	trans	-58.2	-42.7	178.3	-65.8	166.6	0	0	0	111	N34 S35 H41 S42	N34-I38 WeakPolarHBondContact O-CG1 3.2Å; N34-I38 PolarHBondContact O-N 2.88Å; S35-I38 PolarHBondContact O-N 3.17Å; I38-H41 PolarHBondContact O-N 3.49Å; I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.38Å; I38-S42 PolarHBondContact O-OG 2.91Å
39	N	57.3	Low	54.4	Low	80 Å²	80	81.2 Å²	81.2	43%	0.428	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-47.8	179.2	-158.5	-21.6	0	0	0	111.4	S35 Y36 K37 H41 S42 V43	S35-N39 PolarHBondContact O-N 3.31Å; S35-N39 VanDerWaalsContact O-N 3.09Å; Y36-N39 PolarHBondContact O-N 2.91Å; K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 2.83Å; N39-H41 VanDerWaalsContact C-N 3.35Å; N39-H41 PolarHBondContact O-N 3.39Å; N39-S42 PolarHBondContact O-N 3.21Å; N39-S42 PolarHBondContact O-OG 2.81Å; N39-V43 VanDerWaalsContact O-CG2 3.32Å; N39-V43 WeakPolarHBondContact O-CG2 3.2Å; N39-V43 PolarHBondContact O-N 3.42Å; N39-V43 VanDerWaalsContact OD1-CG2 3.31Å; N39-V43 WeakPolarHBondContact OD1-CG2 3.43Å
40	K	58.7	Low	55.4	Low	43 Å²	43	81.5 Å²	81.5	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-52	-48.8	175.8	-177.9	-177.2	175.3	-175.3	0	112.3	Y36 K37 F44 E74	Y36-K40 PolarHBondContact O-N 2.9Å; K37-K40 PolarHBondContact O-N 3.24Å; K40-F44 PolarHBondContact O-N 2.99Å; K40-F44 VanDerWaalsContact O-N 3.13Å; K40-E74 IonicContact NZ-OE1 3.74Å; K40-E74 PolarHBondContact NZ-OE1 3.32Å
41	H	61.8	Low	56.3	Low	22 Å²	22	80.7 Å²	80.7	10%	0.102	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-41.9	-179.2	-56.2	-42.5	0	0	0	112.4	K37 I38 N39 R45 Q78 H80	K37-H41 PolarHBondContact O-CD2 3.15Å; K37-H41 VanDerWaalsContact O-CG 3.3Å; K37-H41 PolarHBondContact O-N 3.4Å; K37-H41 VanDerWaalsContact O-N 3.12Å; K37-H41 PolarHBondContact O-NE2 3.47Å; I38-H41 PolarHBondContact O-N 3.49Å; N39-H41 VanDerWaalsContact C-N 3.35Å; N39-H41 PolarHBondContact O-N 3.39Å; H41-R45 WeakPolarHBondContact O-CB 3.41Å; H41-R45 PolarHBondContact O-N 3.38Å; H41-R45 VanDerWaalsContact O-N 3.09Å; H41-Q78 PolarHBondContact CE1-O 3.09Å; H41-Q78 PolarHBondContact ND1-O 3.42Å; H41-Q78 PolarHBondContact NE2-O 3.39Å; H41-H80 AromaticContact CD2-CE1 3.97Å; H41-H80 AromaticContact CD2-ND1 3.99Å; H41-H80 AromaticContact CG-ND1 3.84Å
42	S	59.6	Low	57.2	Low	62 Å²	62	79.4 Å²	79.4	43%	0.434	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-41.8	179.5	75	0	0	0	0	112.4	I38 N39 S46	I38-S42 WeakPolarHBondContact O-CB 3.32Å; I38-S42 PolarHBondContact O-N 3.38Å; I38-S42 PolarHBondContact O-OG 2.91Å; N39-S42 PolarHBondContact O-N 3.21Å; N39-S42 PolarHBondContact O-OG 2.81Å; S42-S46 WeakPolarHBondContact O-CB 3.41Å; S42-S46 PolarHBondContact O-N 2.82Å
43	V	58.7	Low	58.2	Low	32 Å²	32	81.3 Å²	81.3	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-50.1	179.7	171.3	0	0	0	0	110	N39 R45 S46 I47	N39-V43 VanDerWaalsContact O-CG2 3.32Å; N39-V43 WeakPolarHBondContact O-CG2 3.2Å; N39-V43 PolarHBondContact O-N 3.42Å; N39-V43 VanDerWaalsContact OD1-CG2 3.31Å; N39-V43 WeakPolarHBondContact OD1-CG2 3.43Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; V43-S46 PolarHBondContact O-N 3.36Å; V43-S46 VanDerWaalsContact O-N 3.14Å; V43-S46 PolarHBondContact O-OG 2.96Å; V43-I47 HydrophobicContact CG1-CD1 3.59Å; V43-I47 HydrophobicContact CG1-CG1 4.25Å; V43-I47 VanDerWaalsContact O-CG1 3.3Å; V43-I47 WeakPolarHBondContact O-CG1 3.42Å; V43-I47 PolarHBondContact O-N 3.01Å
44	F	61.4	Low	59.3	Low	15 Å²	15	82 Å²	82	7%	0.066	39%	0.392	C	S	.	.	H	α-helix	trans	-58.3	-48.4	179.5	-169.7	-75.6	0	0	0	111.3	L20 K40 S46 I47 F48 A68 I81	L20-F44 HydrophobicContact CD1-CD2 3.49Å; L20-F44 VanDerWaalsContact CD1-CD2 3.49Å; L20-F44 HydrophobicContact CD1-CE2 3.52Å; L20-F44 HydrophobicContact CD2-CD2 3.84Å; L20-F44 HydrophobicContact CG-CD2 4.28Å; K40-F44 PolarHBondContact O-N 2.99Å; K40-F44 VanDerWaalsContact O-N 3.13Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.48Å; F44-I47 PolarHBondContact O-N 3.37Å; F44-F48 HydrophobicContact CD1-CB 4.42Å; F44-F48 HydrophobicContact CE1-CB 4.17Å; F44-F48 VanDerWaalsContact O-CB 3.32Å; F44-F48 WeakPolarHBondContact O-CB 3.36Å; F44-F48 PolarHBondContact O-N 3.43Å; F44-A68 HydrophobicContact CE2-CB 3.42Å; F44-A68 VanDerWaalsContact CE2-CB 3.42Å; F44-A68 HydrophobicContact CZ-CB 3.69Å; F44-I81 HydrophobicContact CD1-CD1 3.22Å; F44-I81 HydrophobicContact CD1-CG1 3.47Å; F44-I81 VanDerWaalsContact CD1-CG1 3.47Å; F44-I81 HydrophobicContact CE1-CD1 2.98Å; F44-I81 HydrophobicContact CE1-CG1 3.6Å; F44-I81 HydrophobicContact CG-CD1 4.21Å; F44-I81 HydrophobicContact CZ-CD1 3.78Å
45	R	61.8	Low	60.2	Low	112 Å²	112	77.3 Å²	77.3	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-57	-44.8	177.3	-174.4	176.6	167.2	161.8	1.2	111.2	H41 V43 F48 Y49	H41-R45 WeakPolarHBondContact O-CB 3.41Å; H41-R45 PolarHBondContact O-N 3.38Å; H41-R45 VanDerWaalsContact O-N 3.09Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R45 PolarHBondContact O-N 2.83Å; R45-F48 PolarHBondContact O-N 3.25Å; R45-Y49 HydrophobicContact CG-CD2 3.71Å; R45-Y49 HydrophobicContact CG-CE2 3.47Å; R45-Y49 VanDerWaalsContact CG-CE2 3.47Å; R45-Y49 WeakPolarHBondContact O-CD2 3.34Å; R45-Y49 PolarHBondContact O-N 2.77Å
46	S	59.8	Low	61.5	Low	49 Å²	49	83.7 Å²	83.7	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-43.1	179.7	78.8	0	0	0	0	113	S42 V43 F44 F48 Y49 K50	S42-S46 WeakPolarHBondContact O-CB 3.41Å; S42-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-N 3.36Å; V43-S46 VanDerWaalsContact O-N 3.14Å; V43-S46 PolarHBondContact O-OG 2.96Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.48Å; S46-F48 VanDerWaalsContact C-N 3.34Å; S46-Y49 PolarHBondContact O-N 3.14Å; S46-K50 WeakPolarHBondContact O-CB 3.27Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.37Å; S46-K50 PolarHBondContact O-N 2.72Å
47	I	62.6	Low	62.7	Low	32 Å²	32	80.5 Å²	80.5	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-46.2	177.4	-68.9	172.3	0	0	0	109.1	L16 V43 F44 Y49 K50 H51	L16-I47 HydrophobicContact CD2-CG2 3.28Å; V43-I47 HydrophobicContact CG1-CD1 3.59Å; V43-I47 HydrophobicContact CG1-CG1 4.25Å; V43-I47 VanDerWaalsContact O-CG1 3.3Å; V43-I47 WeakPolarHBondContact O-CG1 3.42Å; V43-I47 PolarHBondContact O-N 3.01Å; F44-I47 PolarHBondContact O-N 3.37Å; I47-Y49 PolarHBondContact O-N 2.77Å; I47-K50 PolarHBondContact O-N 2.7Å; I47-H51 WeakPolarHBondContact O-CB 3.45Å; I47-H51 PolarHBondContact O-CD2 2.94Å; I47-H51 VanDerWaalsContact O-CD2 3.24Å; I47-H51 PolarHBondContact O-N 3.22Å
48	F	64	Low	63.4	Low	27 Å²	27	80.1 Å²	80.1	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-57.4	-49.9	179.3	177.7	-105.5	0	0	0	112.4	F44 R45 S46 H51 R52 F55 I61 I65 I81	F44-F48 HydrophobicContact CD1-CB 4.42Å; F44-F48 HydrophobicContact CE1-CB 4.17Å; F44-F48 VanDerWaalsContact O-CB 3.32Å; F44-F48 WeakPolarHBondContact O-CB 3.36Å; F44-F48 PolarHBondContact O-N 3.43Å; R45-F48 PolarHBondContact O-N 3.25Å; S46-F48 VanDerWaalsContact C-N 3.34Å; F48-H51 PolarHBondContact O-N 3.44Å; F48-R52 PolarHBondContact O-N 3.34Å; F48-F55 HydrophobicContact CE2-CE2 4.44Å; F48-I61 HydrophobicContact CE2-CB 4.34Å; F48-I61 HydrophobicContact CE2-CG1 4.21Å; F48-I61 HydrophobicContact CE2-CG2 3.43Å; F48-I61 VanDerWaalsContact CE2-CG2 3.43Å; F48-I61 HydrophobicContact CZ-CD1 4.43Å; F48-I61 HydrophobicContact CZ-CG2 3.54Å; F48-I65 HydrophobicContact CD2-CD1 4.31Å; F48-I65 HydrophobicContact CD2-CG1 4.34Å; F48-I65 HydrophobicContact CE2-CD1 3.76Å; F48-I65 HydrophobicContact CE2-CG1 4.17Å; F48-I65 HydrophobicContact CZ-CD1 4.02Å; F48-I81 HydrophobicContact CD1-CG2 4.36Å; F48-I81 HydrophobicContact CE1-CG2 4.43Å
49	Y	64.4	Low	64.1	Low	123 Å²	123	82.2 Å²	82.2	48%	0.482	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-38.3	179.2	-76.1	-66.8	0	0	0	113.1	R45 S46 I47 H51	R45-Y49 HydrophobicContact CG-CD2 3.71Å; R45-Y49 HydrophobicContact CG-CE2 3.47Å; R45-Y49 VanDerWaalsContact CG-CE2 3.47Å; R45-Y49 WeakPolarHBondContact O-CD2 3.34Å; R45-Y49 PolarHBondContact O-N 2.77Å; S46-Y49 PolarHBondContact O-N 3.14Å; I47-Y49 PolarHBondContact O-N 2.77Å; Y49-H51 VanDerWaalsContact C-N 3.29Å; Y49-H51 PolarHBondContact O-N 2.87Å
50	K	66	Low	64.7	Low	153 Å²	153	79.5 Å²	79.5	67%	0.665	37%	0.366	S	S	*	.	H	α-helix	trans	-63.4	-35.7	177.8	-78.6	178.9	177.6	-178.1	0	112.6	S46 I47 H53	S46-K50 WeakPolarHBondContact O-CB 3.27Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.37Å; S46-K50 PolarHBondContact O-N 2.72Å; I47-K50 PolarHBondContact O-N 2.7Å; K50-H53 PolarHBondContact O-CE1 3.17Å; K50-H53 VanDerWaalsContact O-CE1 3.28Å; K50-H53 PolarHBondContact O-ND1 3.4Å
51	H	65.5	Low	65.4	Low	69 Å²	69	77.7 Å²	77.7	32%	0.319	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	15.1	-172.5	-68.5	-62.1	0	0	0	114.1	I47 F48 Y49 H53 L54	I47-H51 WeakPolarHBondContact O-CB 3.45Å; I47-H51 PolarHBondContact O-CD2 2.94Å; I47-H51 VanDerWaalsContact O-CD2 3.24Å; I47-H51 PolarHBondContact O-N 3.22Å; F48-H51 PolarHBondContact O-N 3.44Å; Y49-H51 VanDerWaalsContact C-N 3.29Å; Y49-H51 PolarHBondContact O-N 2.87Å; H51-H53 PolarHBondContact O-N 3.33Å; H51-H53 VanDerWaalsContact O-N 3.11Å; H51-L54 HydrophobicContact CB-CD1 3.91Å; H51-L54 HydrophobicContact CB-CG 4.41Å; H51-L54 WeakPolarHBondContact ND1-CD1 3.32Å; H51-L54 WeakPolarHBondContact O-CB 3.36Å; H51-L54 PolarHBondContact O-N 3.23Å
52	R	65.1	Low	65.9	Low	149 Å²	149	79.1 Å²	79.1	56%	0.562	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.4	178.6	-169.5	178.7	179.6	-170.1	-0.2	113	F48 L54 F55 I61	F48-R52 PolarHBondContact O-N 3.34Å; R52-L54 PolarHBondContact O-N 2.7Å; R52-F55 PolarHBondContact O-N 3.48Å; R52-I61 HydrophobicContact CG-CD1 4.2Å
53	H	69	Low	66.6	Low	143 Å²	143	78.6 Å²	78.6	66%	0.662	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.3	178.2	65.7	-87.5	0	0	0	114.4	K50 H51 F55	K50-H53 PolarHBondContact O-CE1 3.17Å; K50-H53 VanDerWaalsContact O-CE1 3.28Å; K50-H53 PolarHBondContact O-ND1 3.4Å; H51-H53 PolarHBondContact O-N 3.33Å; H51-H53 VanDerWaalsContact O-N 3.11Å; H53-F55 VanDerWaalsContact C-N 3.27Å
54	L	66	Low	67.3	Low	85 Å²	85	77.4 Å²	77.4	45%	0.445	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-80.2	-10.4	179.4	-63.6	179.1	0	0	0	112.9	Y12 H51 R52	Y12-L54 HydrophobicContact CD2-CB 4.39Å; Y12-L54 HydrophobicContact CD2-CD1 3.92Å; Y12-L54 HydrophobicContact CE2-CB 3.73Å; Y12-L54 HydrophobicContact CE2-CD1 3.39Å; Y12-L54 HydrophobicContact CE2-CG 4.17Å; H51-L54 HydrophobicContact CB-CD1 3.91Å; H51-L54 HydrophobicContact CB-CG 4.41Å; H51-L54 WeakPolarHBondContact ND1-CD1 3.32Å; H51-L54 WeakPolarHBondContact O-CB 3.36Å; H51-L54 PolarHBondContact O-N 3.23Å; R52-L54 PolarHBondContact O-N 2.7Å
55	F	65.9	Low	67.9	Low	24 Å²	24	77 Å²	77	11%	0.105	35%	0.351	C	S	.	.			trans	-101.3	127.3	179.6	-57.8	-84.1	0	0	0	110.8	Y12 L16 F48 R52 H53 D60 I61 A64	Y12-F55 HydrophobicContact CE1-CD1 4.21Å; Y12-F55 AromaticContact CE1-CE1 3.48Å; Y12-F55 HydrophobicContact CE1-CE1 3.48Å; Y12-F55 VanDerWaalsContact CE1-CE1 3.48Å; Y12-F55 AromaticContact CE1-CZ 3.7Å; Y12-F55 HydrophobicContact CE1-CZ 3.7Å; Y12-F55 AromaticContact CZ-CE1 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.65Å; Y12-F55 WeakPolarHBondContact OH-CE1 3.22Å; Y12-F55 WeakPolarHBondContact OH-CE2 3.27Å; Y12-F55 WeakPolarHBondContact OH-CZ 3.29Å; L16-F55 HydrophobicContact CD1-CZ 4.36Å; F48-F55 HydrophobicContact CE2-CE2 4.44Å; R52-F55 PolarHBondContact O-N 3.48Å; H53-F55 VanDerWaalsContact C-N 3.27Å; F55-D60 HydrophobicContact CB-CB 4.46Å; F55-D60 HydrophobicContact CD1-CB 3.96Å; F55-I61 HydrophobicContact CB-CD1 3.99Å; F55-I61 HydrophobicContact CB-CG1 3.51Å; F55-I61 HydrophobicContact CD1-CB 4.41Å; F55-I61 HydrophobicContact CD1-CG1 3.73Å; F55-I61 HydrophobicContact CD2-CD1 3.98Å; F55-I61 HydrophobicContact CD2-CG1 3.31Å; F55-I61 HydrophobicContact CE1-CG1 4.13Å; F55-I61 HydrophobicContact CE2-CG1 3.75Å; F55-I61 HydrophobicContact CG-CB 4.36Å; F55-I61 HydrophobicContact CG-CD1 4.12Å; F55-I61 HydrophobicContact CG-CG1 3.25Å; F55-I61 HydrophobicContact CZ-CG1 4.11Å; F55-A64 HydrophobicContact CE1-CB 3.67Å; F55-A64 HydrophobicContact CZ-CB 4.05Å
56	R	69.5	Low	68.6	Low	209 Å²	209	71.7 Å²	71.7	79%	0.789	33%	0.331	S	S	*	.	S	Bend	trans	-73.8	-40.1	178.1	-65.4	-176.6	-179	170.8	3.1	111.3	E5	E5-R56 IonicContact OE1-CZ 2.55Å; E5-R56 IonicContact OE1-NH1 3.37Å; E5-R56 PolarHBondContact OE1-NH1 2.88Å; E5-R56 IonicContact OE1-NH2 2.8Å
57	A	70.3	Confident	69.3	Low	47 Å²	47	71.8 Å²	71.8	39%	0.388	33%	0.327	S	S	.	.	S	Bend	trans	-128.7	153.1	179.6	0	0	0	0	0	112.2	K59 D60 I61	A57-K59 HydrophobicContact CB-CB 4.47Å; A57-K59 PolarHBondContact O-N 3.41Å; A57-K59 VanDerWaalsContact O-N 3.15Å; A57-D60 PolarHBondContact N-OD2 3.02Å; A57-D60 VanDerWaalsContact N-OD2 3.16Å; A57-D60 WeakPolarHBondContact O-CB 3.36Å; A57-D60 PolarHBondContact O-N 3.31Å; A57-I61 PolarHBondContact O-N 3.36Å
58	Q	68.2	Low	69.9	Low	99 Å²	99	70.4 Å²	70.4	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-56.3	-29.7	172.4	-173.4	60.6	43.7	0	0	112	D60 I61 D62	Q58-D60 VanDerWaalsContact C-N 3.33Å; Q58-D60 PolarHBondContact O-N 2.58Å; Q58-I61 VanDerWaalsContact O-CB 3.29Å; Q58-I61 WeakPolarHBondContact O-CB 2.88Å; Q58-I61 PolarHBondContact O-N 2.85Å; Q58-D62 PolarHBondContact O-N 2.85Å
59	K	70.7	Confident	70.4	Confident	152 Å²	152	69.3 Å²	69.3	66%	0.661	32%	0.316	S	S	*	.	H	α-helix	trans	-60.5	-39.3	173	-175.2	176.2	-179.9	175.3	0	112.8	A57 I61 D62 I63	A57-K59 HydrophobicContact CB-CB 4.47Å; A57-K59 PolarHBondContact O-N 3.41Å; A57-K59 VanDerWaalsContact O-N 3.15Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-D62 PolarHBondContact O-N 3.34Å; K59-I63 HydrophobicContact CG-CD1 4.09Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.42Å; K59-I63 PolarHBondContact O-N 3.45Å
60	D	70.2	Confident	70.9	Confident	22 Å²	22	68.8 Å²	68.8	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-69.1	-36.9	-179.9	-58	-44.6	0	0	0	111	R1 F55 A57 Q58 A64	R1-D60 IonicContact NH2-OD1 2.89Å; F55-D60 HydrophobicContact CB-CB 4.46Å; F55-D60 HydrophobicContact CD1-CB 3.96Å; A57-D60 PolarHBondContact N-OD2 3.02Å; A57-D60 VanDerWaalsContact N-OD2 3.16Å; A57-D60 WeakPolarHBondContact O-CB 3.36Å; A57-D60 PolarHBondContact O-N 3.31Å; Q58-D60 VanDerWaalsContact C-N 3.33Å; Q58-D60 PolarHBondContact O-N 2.58Å; D60-A64 WeakPolarHBondContact O-CB 3.23Å; D60-A64 PolarHBondContact O-N 2.94Å
61	I	72.5	Confident	71.3	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-51.8	170	-77.2	169.9	0	0	0	110.2	F48 R52 F55 A57 Q58 K59 I63 A64 I65	F48-I61 HydrophobicContact CE2-CB 4.34Å; F48-I61 HydrophobicContact CE2-CG1 4.21Å; F48-I61 HydrophobicContact CE2-CG2 3.43Å; F48-I61 VanDerWaalsContact CE2-CG2 3.43Å; F48-I61 HydrophobicContact CZ-CD1 4.43Å; F48-I61 HydrophobicContact CZ-CG2 3.54Å; R52-I61 HydrophobicContact CG-CD1 4.2Å; F55-I61 HydrophobicContact CB-CD1 3.99Å; F55-I61 HydrophobicContact CB-CG1 3.51Å; F55-I61 HydrophobicContact CD1-CB 4.41Å; F55-I61 HydrophobicContact CD1-CG1 3.73Å; F55-I61 HydrophobicContact CD2-CD1 3.98Å; F55-I61 HydrophobicContact CD2-CG1 3.31Å; F55-I61 HydrophobicContact CE1-CG1 4.13Å; F55-I61 HydrophobicContact CE2-CG1 3.75Å; F55-I61 HydrophobicContact CG-CB 4.36Å; F55-I61 HydrophobicContact CG-CD1 4.12Å; F55-I61 HydrophobicContact CG-CG1 3.25Å; F55-I61 HydrophobicContact CZ-CG1 4.11Å; A57-I61 PolarHBondContact O-N 3.36Å; Q58-I61 VanDerWaalsContact O-CB 3.29Å; Q58-I61 WeakPolarHBondContact O-CB 2.88Å; Q58-I61 PolarHBondContact O-N 2.85Å; K59-I61 VanDerWaalsContact C-N 3.33Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.09Å; I61-A64 PolarHBondContact O-N 3.46Å; I61-I65 HydrophobicContact CG2-CD1 3.58Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CG1 3.36Å; I61-I65 PolarHBondContact O-N 3.28Å
62	D	72.3	Confident	71.6	Confident	53 Å²	53	61 Å²	61	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-41.9	-174.9	-76.7	-42.1	0	0	0	111.6	Q58 K59 I65 G66 R76	Q58-D62 PolarHBondContact O-N 2.85Å; K59-D62 PolarHBondContact O-N 3.34Å; D62-I65 PolarHBondContact O-N 3.12Å; D62-G66 PolarHBondContact O-N 3.33Å; D62-R76 VanDerWaalsContact CB-NH2 3.35Å; D62-R76 PolarHBondContact O-NH2 3.06Å; D62-R76 IonicContact OD1-CZ 3.07Å; D62-R76 IonicContact OD1-NH1 2.7Å; D62-R76 PolarHBondContact OD1-NH1 2.95Å; D62-R76 IonicContact OD1-NH2 2.72Å; D62-R76 PolarHBondContact OD1-NH2 3.41Å; D62-R76 VanDerWaalsContact OD1-NH2 3.14Å
63	I	73.9	Confident	72.2	Confident	51 Å²	51	60.5 Å²	60.5	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-46.9	175.2	-65.6	164.6	0	0	0	110.9	Y9 K59 I61 I65 G66 I67	Y9-I63 VanDerWaalsContact OH-CG2 3.31Å; Y9-I63 WeakPolarHBondContact OH-CG2 3.22Å; K59-I63 HydrophobicContact CG-CD1 4.09Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.42Å; K59-I63 PolarHBondContact O-N 3.45Å; I61-I63 VanDerWaalsContact C-N 3.32Å; I61-I63 PolarHBondContact O-N 3.09Å; I63-I65 VanDerWaalsContact C-N 3.34Å; I63-I65 PolarHBondContact O-N 3.45Å; I63-G66 WeakPolarHBondContact O-CA 3.37Å; I63-G66 PolarHBondContact O-N 3.26Å; I63-G66 VanDerWaalsContact O-N 3.12Å; I63-I67 HydrophobicContact CG2-CD1 3.93Å; I63-I67 HydrophobicContact CG2-CG1 4.49Å; I63-I67 WeakPolarHBondContact O-CG1 3.31Å; I63-I67 PolarHBondContact O-N 3.28Å
64	A	73.6	Confident	72.4	Confident	7 Å²	7	55.5 Å²	55.5	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-39.9	-179.6	0	0	0	0	0	112.2	L13 F55 D60 I61 G66 I67 A68	L13-A64 HydrophobicContact CD2-CB 4.03Å; F55-A64 HydrophobicContact CE1-CB 3.67Å; F55-A64 HydrophobicContact CZ-CB 4.05Å; D60-A64 WeakPolarHBondContact O-CB 3.23Å; D60-A64 PolarHBondContact O-N 2.94Å; I61-A64 PolarHBondContact O-N 3.46Å; A64-G66 VanDerWaalsContact C-N 3.34Å; A64-I67 PolarHBondContact O-N 3.5Å; A64-A68 WeakPolarHBondContact O-CB 3.34Å; A64-A68 PolarHBondContact O-N 3.49Å
65	I	74	Confident	72.7	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-42.9	172.7	-66	165.1	0	0	0	110.2	F48 I61 D62 I63 I67 A68 C69 R76 I81	F48-I65 HydrophobicContact CD2-CD1 4.31Å; F48-I65 HydrophobicContact CD2-CG1 4.34Å; F48-I65 HydrophobicContact CE2-CD1 3.76Å; F48-I65 HydrophobicContact CE2-CG1 4.17Å; F48-I65 HydrophobicContact CZ-CD1 4.02Å; I61-I65 HydrophobicContact CG2-CD1 3.58Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CG1 3.36Å; I61-I65 PolarHBondContact O-N 3.28Å; D62-I65 PolarHBondContact O-N 3.12Å; I63-I65 VanDerWaalsContact C-N 3.34Å; I63-I65 PolarHBondContact O-N 3.45Å; I65-I67 PolarHBondContact O-N 3.35Å; I65-A68 PolarHBondContact O-N 3.01Å; I65-C69 WeakPolarHBondContact O-CB 3.39Å; I65-C69 PolarHBondContact O-N 3.35Å; I65-C69 PolarHBondContact O-SG 2.73Å; I65-R76 HydrophobicContact CG2-CG 3.49Å; I65-R76 VanDerWaalsContact CG2-CG 3.49Å; I65-I81 HydrophobicContact CD1-CG2 3.68Å; I65-I81 HydrophobicContact CG1-CG2 4.27Å; I65-I81 HydrophobicContact CG2-CD1 3.86Å; I65-I81 HydrophobicContact CG2-CG2 4.48Å
66	G	76.6	Confident	73.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.9	-51.6	175.5	0	0	0	0	0	112.4	D62 I63 A64 A68 C69 D70 G200	D62-G66 PolarHBondContact O-N 3.33Å; I63-G66 WeakPolarHBondContact O-CA 3.37Å; I63-G66 PolarHBondContact O-N 3.26Å; I63-G66 VanDerWaalsContact O-N 3.12Å; A64-G66 VanDerWaalsContact C-N 3.34Å; G66-A68 VanDerWaalsContact C-N 3.31Å; G66-A68 PolarHBondContact O-N 3.47Å; G66-C69 WeakPolarHBondContact O-CB 3.11Å; G66-C69 PolarHBondContact O-N 3.03Å; G66-C69 VanDerWaalsContact O-N 3.17Å; G66-D70 PolarHBondContact O-N 2.8Å; G66-G200 WeakPolarHBondContact CA-O 3.09Å; G66-G200 PolarHBondContact N-O 2.89Å
67	I	75.2	Confident	73.2	Confident	52 Å²	52	44.7 Å²	44.7	27%	0.267	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-42.6	176.6	-66.2	167.5	0	0	0	111.1	L13 I63 A64 I65 D70 I71	L13-I67 HydrophobicContact CD1-CD1 3.76Å; L13-I67 HydrophobicContact CD2-CD1 4.2Å; I63-I67 HydrophobicContact CG2-CD1 3.93Å; I63-I67 HydrophobicContact CG2-CG1 4.49Å; I63-I67 WeakPolarHBondContact O-CG1 3.31Å; I63-I67 PolarHBondContact O-N 3.28Å; A64-I67 PolarHBondContact O-N 3.5Å; I65-I67 PolarHBondContact O-N 3.35Å; I67-D70 PolarHBondContact O-N 2.82Å; I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CB 3.17Å; I67-I71 VanDerWaalsContact O-CG1 3.26Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 2.77Å
68	A	74.5	Confident	73.2	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-40.6	177.6	0	0	0	0	0	112.6	L20 F44 A64 I65 G66 I71 L72	L20-A68 HydrophobicContact CD1-CB 4.42Å; F44-A68 HydrophobicContact CE2-CB 3.42Å; F44-A68 VanDerWaalsContact CE2-CB 3.42Å; F44-A68 HydrophobicContact CZ-CB 3.69Å; A64-A68 WeakPolarHBondContact O-CB 3.34Å; A64-A68 PolarHBondContact O-N 3.49Å; I65-A68 PolarHBondContact O-N 3.01Å; G66-A68 VanDerWaalsContact C-N 3.31Å; G66-A68 PolarHBondContact O-N 3.47Å; A68-I71 PolarHBondContact O-N 2.75Å; A68-L72 WeakPolarHBondContact O-CB 3.11Å; A68-L72 VanDerWaalsContact O-CG 3.23Å; A68-L72 WeakPolarHBondContact O-CG 3.1Å; A68-L72 PolarHBondContact O-N 2.97Å
69	C	75.5	Confident	73.3	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.5	-67.6	0	0	0	0	110.6	I65 G66 L72 E73 E74 R76 G202	I65-C69 WeakPolarHBondContact O-CB 3.39Å; I65-C69 PolarHBondContact O-N 3.35Å; I65-C69 PolarHBondContact O-SG 2.73Å; G66-C69 WeakPolarHBondContact O-CB 3.11Å; G66-C69 PolarHBondContact O-N 3.03Å; G66-C69 VanDerWaalsContact O-N 3.17Å; C69-L72 PolarHBondContact O-N 2.92Å; C69-E73 WeakPolarHBondContact O-CA 3.44Å; C69-E73 PolarHBondContact O-N 3.33Å; C69-E74 CarbonylContact C-O 3.54Å; C69-E74 WeakPolarHBondContact CA-O 3.36Å; C69-E74 WeakPolarHBondContact CB-O 3.39Å; C69-E74 PolarHBondContact O-N 2.93Å; C69-E74 VanDerWaalsContact O-N 3.11Å; C69-E74 VanDerWaalsContact O-O 3.08Å; C69-R76 VanDerWaalsContact SG-CG 3.59Å; C69-R76 PolarHBondContact SG-N 2.76Å; C69-G202 VanDerWaalsContact CB-CA 3.49Å
70	D	75	Confident	73.1	Confident	113 Å²	113	37.6 Å²	37.6	60%	0.604	19%	0.189	S	C	*	.	H	α-helix	trans	-63	-44.5	179.5	-63.8	-20.2	0	0	0	111.7	G66 I67 E73	G66-D70 PolarHBondContact O-N 2.8Å; I67-D70 PolarHBondContact O-N 2.82Å; D70-E73 PolarHBondContact O-N 3.07Å
71	I	73.7	Confident	73	Confident	49 Å²	49	37.2 Å²	37.2	25%	0.251	19%	0.187	S	C	.	.	H	α-helix	trans	-66.5	-38	178.3	-70.8	168.6	0	0	0	112.1	T17 L21 R24 I67 A68 E73	T17-I71 HydrophobicContact CG2-CD1 3.53Å; L21-I71 HydrophobicContact CD2-CG2 3.76Å; L21-I71 HydrophobicContact CG-CG2 4.33Å; R24-I71 PolarHBondContact NH1-O 3.16Å; I67-I71 HydrophobicContact CG2-CD1 3.62Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CB 3.17Å; I67-I71 VanDerWaalsContact O-CG1 3.26Å; I67-I71 WeakPolarHBondContact O-CG1 3.29Å; I67-I71 PolarHBondContact O-N 2.77Å; A68-I71 PolarHBondContact O-N 2.75Å; I71-E73 VanDerWaalsContact C-N 3.32Å
72	L	72.8	Confident	72.7	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-83.5	-11.7	-177.1	-71.5	177.9	0	0	0	113.1	L20 A68 C69 E74 L79	L20-L72 HydrophobicContact CB-CD2 3.94Å; L20-L72 HydrophobicContact CB-CG 4.5Å; L20-L72 HydrophobicContact CD1-CD1 4.12Å; L20-L72 HydrophobicContact CD2-CD1 4.17Å; L20-L72 HydrophobicContact CG-CD1 4.49Å; A68-L72 WeakPolarHBondContact O-CB 3.11Å; A68-L72 VanDerWaalsContact O-CG 3.23Å; A68-L72 WeakPolarHBondContact O-CG 3.1Å; A68-L72 PolarHBondContact O-N 2.97Å; C69-L72 PolarHBondContact O-N 2.92Å; L72-E74 HydrophobicContact CB-CB 4.13Å; L72-E74 HydrophobicContact CB-CG 3.86Å; L72-E74 PolarHBondContact O-N 3.5Å; L72-L79 HydrophobicContact CD1-CD1 3.96Å; L72-L79 HydrophobicContact CD1-CD2 3.6Å; L72-L79 HydrophobicContact CD1-CG 4.44Å
73	E	76.5	Confident	72.4	Confident	140 Å²	140	38.1 Å²	38.1	65%	0.654	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	34.9	-167.4	-68.2	160.5	-147	0	0	111.6	R24 C69 D70 I71	R24-E73 IonicContact CZ-OE1 3.9Å; R24-E73 VanDerWaalsContact CZ-OE1 3.31Å; R24-E73 IonicContact NH1-OE1 2.96Å; R24-E73 PolarHBondContact NH1-OE1 2.93Å; R24-E73 IonicContact NH2-OE1 3.89Å; R24-E73 PolarHBondContact NH2-OE1 3.29Å; R24-E73 IonicContact NH2-OE2 3.69Å; R24-E73 PolarHBondContact NH2-OE2 2.7Å; R24-E73 VanDerWaalsContact NH2-OE2 3.15Å; C69-E73 WeakPolarHBondContact O-CA 3.44Å; C69-E73 PolarHBondContact O-N 3.33Å; D70-E73 PolarHBondContact O-N 3.07Å; I71-E73 VanDerWaalsContact C-N 3.32Å
74	E	73.2	Confident	72.3	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.173	22%	0.219	C	C	.	.			trans	-122.8	149.4	178.5	-59	-75.5	-173.9	0	0	109	K40 C69 L72 Q78 L79	K40-E74 IonicContact NZ-OE1 3.74Å; K40-E74 PolarHBondContact NZ-OE1 3.32Å; C69-E74 CarbonylContact C-O 3.54Å; C69-E74 WeakPolarHBondContact CA-O 3.36Å; C69-E74 WeakPolarHBondContact CB-O 3.39Å; C69-E74 PolarHBondContact O-N 2.93Å; C69-E74 VanDerWaalsContact O-N 3.11Å; C69-E74 VanDerWaalsContact O-O 3.08Å; L72-E74 HydrophobicContact CB-CB 4.13Å; L72-E74 HydrophobicContact CB-CG 3.86Å; L72-E74 PolarHBondContact O-N 3.5Å; E74-Q78 HydrophobicContact CB-CB 4.08Å; E74-Q78 VanDerWaalsContact OE2-CB 3.28Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.48Å; E74-Q78 PolarHBondContact OE2-NE2 2.8Å; E74-Q78 PolarHBondContact OE2-OE1 3.43Å; E74-L79 HydrophobicContact CB-CD1 4.43Å; E74-L79 HydrophobicContact CB-CD2 3.76Å; E74-L79 HydrophobicContact CB-CG 3.84Å; E74-L79 HydrophobicContact CG-CD2 3.98Å
75	T	73	Confident	72.3	Confident	46 Å²	46	41.6 Å²	41.6	28%	0.282	22%	0.22	S	C	.	.			trans	-79.9	158.5	170.8	57.7	0	0	0	0	111.3	F77 Q78 L79 G202 S203	T75-F77 PolarHBondContact O-N 3.13Å; T75-F77 VanDerWaalsContact O-N 3.13Å; T75-Q78 PolarHBondContact O-N 2.55Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.48Å; T75-Q78 PolarHBondContact OG1-N 2.83Å; T75-Q78 VanDerWaalsContact OG1-N 3.08Å; T75-Q78 PolarHBondContact OG1-OE1 2.94Å; T75-L79 WeakPolarHBondContact O-CG 3.32Å; T75-L79 PolarHBondContact O-N 3.04Å; T75-G202 WeakPolarHBondContact CA-O 3.27Å; T75-S203 WeakPolarHBondContact CB-OG 3.48Å
76	R	75.2	Confident	72.8	Confident	24 Å²	24	48 Å²	48	9%	0.091	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-37.2	166.9	-64.6	-164.6	175.8	-171.6	6.2	111.7	D62 I65 C69 L79 H80 I81 G200 S201 G202 S203	D62-R76 VanDerWaalsContact CB-NH2 3.35Å; D62-R76 PolarHBondContact O-NH2 3.06Å; D62-R76 IonicContact OD1-CZ 3.07Å; D62-R76 IonicContact OD1-NH1 2.7Å; D62-R76 PolarHBondContact OD1-NH1 2.95Å; D62-R76 IonicContact OD1-NH2 2.72Å; D62-R76 PolarHBondContact OD1-NH2 3.41Å; D62-R76 VanDerWaalsContact OD1-NH2 3.14Å; I65-R76 HydrophobicContact CG2-CG 3.49Å; I65-R76 VanDerWaalsContact CG2-CG 3.49Å; C69-R76 VanDerWaalsContact SG-CG 3.59Å; C69-R76 PolarHBondContact SG-N 2.76Å; R76-L79 PolarHBondContact O-N 3.18Å; R76-H80 PolarHBondContact O-N 3.48Å; R76-I81 PolarHBondContact O-N 3.21Å; R76-G200 PolarHBondContact NH2-O 3.42Å; R76-S201 WeakPolarHBondContact CD-O 3.45Å; R76-S201 VanDerWaalsContact CG-O 3.29Å; R76-S201 WeakPolarHBondContact CG-O 3.45Å; R76-S201 PolarHBondContact NE-O 2.89Å; R76-G202 PolarHBondContact N-O 3.36Å; R76-S203 VanDerWaalsContact CB-OG 3.25Å; R76-S203 WeakPolarHBondContact CB-OG 3.25Å; R76-S203 WeakPolarHBondContact CG-OG 3.31Å; R76-S203 PolarHBondContact N-OG 3.14Å
77	F	69.9	Low	73.3	Confident	22 Å²	22	48 Å²	48	10%	0.096	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-57	173.7	178.4	-92.9	0	0	0	112	T75 L79 H80 L82 E116 F159 L163	T75-F77 PolarHBondContact O-N 3.13Å; T75-F77 VanDerWaalsContact O-N 3.13Å; F77-L79 PolarHBondContact O-N 3.14Å; F77-H80 WeakPolarHBondContact O-CA 3.32Å; F77-H80 PolarHBondContact O-N 2.96Å; F77-L82 HydrophobicContact CD2-CD1 4.41Å; F77-L82 HydrophobicContact CD2-CD2 4.15Å; F77-L82 HydrophobicContact CE2-CD1 4.42Å; F77-E116 WeakPolarHBondContact CD1-OE1 3.36Å; F77-E116 HydrophobicContact CD2-CG 4.2Å; F77-E116 VanDerWaalsContact CD2-OE1 3.31Å; F77-E116 WeakPolarHBondContact CD2-OE1 2.91Å; F77-E116 HydrophobicContact CE1-CG 4.07Å; F77-E116 WeakPolarHBondContact CE1-OE1 3.32Å; F77-E116 WeakPolarHBondContact CE1-OE2 3.22Å; F77-E116 HydrophobicContact CE2-CB 4.28Å; F77-E116 HydrophobicContact CE2-CG 3.4Å; F77-E116 WeakPolarHBondContact CE2-OE1 3.19Å; F77-E116 VanDerWaalsContact CG-OE1 3.25Å; F77-E116 WeakPolarHBondContact CG-OE1 3.03Å; F77-E116 HydrophobicContact CZ-CB 3.99Å; F77-E116 HydrophobicContact CZ-CG 3.36Å; F77-E116 WeakPolarHBondContact CZ-OE1 3.31Å; F77-E116 WeakPolarHBondContact CZ-OE2 3.25Å; F77-F159 HydrophobicContact CB-CE1 3.85Å; F77-F159 HydrophobicContact CB-CZ 3.68Å; F77-F159 HydrophobicContact CD2-CE1 4.4Å; F77-L163 HydrophobicContact CD2-CD2 3.24Å; F77-L163 HydrophobicContact CE2-CD2 3.81Å; F77-L163 HydrophobicContact CG-CD2 4.01Å
78	Q	70	Confident	74.2	Confident	77 Å²	77	46.4 Å²	46.4	36%	0.36	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.1	178.2	-75.9	161.9	-55.4	0	0	110.9	H41 E74 T75 H80	H41-Q78 PolarHBondContact CE1-O 3.09Å; H41-Q78 PolarHBondContact ND1-O 3.42Å; H41-Q78 PolarHBondContact NE2-O 3.39Å; E74-Q78 HydrophobicContact CB-CB 4.08Å; E74-Q78 VanDerWaalsContact OE2-CB 3.28Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.48Å; E74-Q78 PolarHBondContact OE2-NE2 2.8Å; E74-Q78 PolarHBondContact OE2-OE1 3.43Å; T75-Q78 PolarHBondContact O-N 2.55Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.48Å; T75-Q78 PolarHBondContact OG1-N 2.83Å; T75-Q78 VanDerWaalsContact OG1-N 3.08Å; T75-Q78 PolarHBondContact OG1-OE1 2.94Å; Q78-H80 PolarHBondContact O-N 2.94Å; Q78-H80 VanDerWaalsContact O-N 3.12Å
79	L	70.1	Confident	75.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-2.1	176.4	-61	179.7	0	0	0	114.8	L72 E74 T75 R76 F77 I81	L72-L79 HydrophobicContact CD1-CD1 3.96Å; L72-L79 HydrophobicContact CD1-CD2 3.6Å; L72-L79 HydrophobicContact CD1-CG 4.44Å; E74-L79 HydrophobicContact CB-CD1 4.43Å; E74-L79 HydrophobicContact CB-CD2 3.76Å; E74-L79 HydrophobicContact CB-CG 3.84Å; E74-L79 HydrophobicContact CG-CD2 3.98Å; T75-L79 WeakPolarHBondContact O-CG 3.32Å; T75-L79 PolarHBondContact O-N 3.04Å; R76-L79 PolarHBondContact O-N 3.18Å; F77-L79 PolarHBondContact O-N 3.14Å; L79-I81 HydrophobicContact CB-CD1 3.4Å; L79-I81 HydrophobicContact CB-CG1 3.76Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.2Å; L79-I81 PolarHBondContact O-N 3.4Å
80	H	67.3	Low	76	Confident	72 Å²	72	46.1 Å²	46.1	33%	0.333	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	32.2	-174.2	-60.5	141.2	0	0	0	113.6	H41 R76 F77 Q78 L82	H41-H80 AromaticContact CD2-CE1 3.97Å; H41-H80 AromaticContact CD2-ND1 3.99Å; H41-H80 AromaticContact CG-ND1 3.84Å; R76-H80 PolarHBondContact O-N 3.48Å; F77-H80 WeakPolarHBondContact O-CA 3.32Å; F77-H80 PolarHBondContact O-N 2.96Å; Q78-H80 PolarHBondContact O-N 2.94Å; Q78-H80 VanDerWaalsContact O-N 3.12Å; H80-L82 PolarHBondContact O-N 3.24Å
81	I	67.6	Low	76.9	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.067	21%	0.205	C	C	.	.			trans	-98.9	81.4	174.9	-47.4	151.5	0	0	0	107.6	F44 F48 I65 R76 L79	F44-I81 HydrophobicContact CD1-CD1 3.22Å; F44-I81 HydrophobicContact CD1-CG1 3.47Å; F44-I81 VanDerWaalsContact CD1-CG1 3.47Å; F44-I81 HydrophobicContact CE1-CD1 2.98Å; F44-I81 HydrophobicContact CE1-CG1 3.6Å; F44-I81 HydrophobicContact CG-CD1 4.21Å; F44-I81 HydrophobicContact CZ-CD1 3.78Å; F48-I81 HydrophobicContact CD1-CG2 4.36Å; F48-I81 HydrophobicContact CE1-CG2 4.43Å; I65-I81 HydrophobicContact CD1-CG2 3.68Å; I65-I81 HydrophobicContact CG1-CG2 4.27Å; I65-I81 HydrophobicContact CG2-CD1 3.86Å; I65-I81 HydrophobicContact CG2-CG2 4.48Å; R76-I81 PolarHBondContact O-N 3.21Å; L79-I81 HydrophobicContact CB-CD1 3.4Å; L79-I81 HydrophobicContact CB-CG1 3.76Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.2Å; L79-I81 PolarHBondContact O-N 3.4Å
82	L	66.6	Low	77.8	Confident	19 Å²	19	40 Å²	40	10%	0.099	20%	0.202	C	C	.	.			trans	-105.8	135.4	179.9	-54.8	-178.2	0	0	0	109.5	F77 H80 S113 F114 F159	F77-L82 HydrophobicContact CD2-CD1 4.41Å; F77-L82 HydrophobicContact CD2-CD2 4.15Å; F77-L82 HydrophobicContact CE2-CD1 4.42Å; H80-L82 PolarHBondContact O-N 3.24Å; L82-S113 WeakPolarHBondContact CD1-O 3.43Å; L82-F114 HydrophobicContact CD1-CD1 3.38Å; L82-F114 HydrophobicContact CD1-CE1 3.38Å; L82-F114 HydrophobicContact CD1-CG 4.13Å; L82-F114 HydrophobicContact CD1-CZ 4.13Å; L82-F114 HydrophobicContact CG-CE1 4.28Å; L82-F159 HydrophobicContact CD2-CD1 3.47Å; L82-F159 VanDerWaalsContact CD2-CD1 3.47Å; L82-F159 HydrophobicContact CD2-CE1 3.36Å
83	S	66.6	Low	78.9	Confident	59 Å²	59	39.7 Å²	39.7	41%	0.413	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-70.6	155.2	165	57.2	0	0	0	0	109.3	S85 P160	S83-S85 PolarHBondContact O-N 2.72Å; S83-P160 WeakPolarHBondContact O-CG 3.46Å; S83-P160 VanDerWaalsContact OG-CD 3.31Å; S83-P160 WeakPolarHBondContact OG-CD 3.47Å
84	T	70.8	Confident	79.8	Confident	119 Å²	119	34.8 Å²	34.8	73%	0.73	18%	0.178	S	C	*	.	P	Polyproline II helix	trans	-58.4	131.7	163.9	-53.6	0	0	0	0	108.4	R86	T84-R86 PolarHBondContact O-N 3.04Å
85	S	75	Confident	80.8	Confident	12 Å²	12	33 Å²	33	8%	0.084	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-66.6	133.5	173.4	-171.6	0	0	0	0	110.3	S83 G87 I111 S113 D158 T161	S83-S85 PolarHBondContact O-N 2.72Å; S85-G87 PolarHBondContact OG-N 3.08Å; S85-I111 WeakPolarHBondContact CB-O 3.42Å; S85-S113 PolarHBondContact N-OG 3.46Å; S85-D158 WeakPolarHBondContact CA-OD2 3.46Å; S85-T161 PolarHBondContact OG-OG1 3.42Å
86	R	83	Confident	81.6	Confident	139 Å²	139	33.5 Å²	33.5	53%	0.525	17%	0.168	S	C	.	.			trans	-97.7	-7.8	169.4	-60	179	-65.1	163.5	6.6	111.5	T84 Y156 D158	T84-R86 PolarHBondContact O-N 3.04Å; R86-Y156 PolarHBondContact NH2-O 3.12Å; R86-Y156 VanDerWaalsContact NH2-O 3.13Å; R86-D158 PolarHBondContact N-OD2 3.31Å; R86-D158 IonicContact NE-OD2 3.02Å
87	G	87.9	Confident	82.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.			trans	-75	149.4	-174.9	0	0	0	0	0	112.7	S85 S110 I111 A152	S85-G87 PolarHBondContact OG-N 3.08Å; G87-S110 WeakPolarHBondContact O-CA 3.15Å; G87-I111 PolarHBondContact O-N 3.41Å; G87-A152 CarbonylContact C-O 3.58Å; G87-A152 WeakPolarHBondContact CA-O 3.26Å
88	L	93.2	Very high	82.9	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.099	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.5	174.4	-64.9	176.7	0	0	0	109.7	T109 D134 F137 S151 A152	L88-T109 CarbonylContact C-O 3.29Å; L88-T109 WeakPolarHBondContact CA-O 3.33Å; L88-D134 WeakPolarHBondContact CD1-OD1 2.92Å; L88-F137 HydrophobicContact CB-CD1 4.41Å; L88-F137 HydrophobicContact CB-CE1 3.74Å; L88-F137 HydrophobicContact CB-CE2 4.23Å; L88-F137 HydrophobicContact CB-CZ 3.62Å; L88-F137 HydrophobicContact CD1-CD1 4.09Å; L88-F137 HydrophobicContact CD1-CE1 3.87Å; L88-F137 HydrophobicContact CG-CE1 4.46Å; L88-S151 CarbonylContact O-C 3.57Å; L88-S151 VanDerWaalsContact O-CA 3.27Å; L88-S151 WeakPolarHBondContact O-CA 3.07Å; L88-A152 PolarHBondContact N-O 3.34Å; L88-A152 PolarHBondContact O-N 3.21Å
89	I	93.7	Very high	83.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.7	173.7	-177.9	157.2	0	0	0	110.3	L93 C105 T109 I111 I149 L150 F164 L168	I89-L93 HydrophobicContact CD1-CD2 3.68Å; I89-C105 HydrophobicContact CG1-CB 4.45Å; I89-C105 HydrophobicContact CG2-CB 4.42Å; I89-T109 WeakPolarHBondContact CG2-O 3.47Å; I89-T109 PolarHBondContact N-O 3.34Å; I89-T109 PolarHBondContact O-N 3.05Å; I89-I111 HydrophobicContact CB-CG1 4.03Å; I89-I111 HydrophobicContact CG2-CG1 4Å; I89-I149 HydrophobicContact CD1-CG2 3.53Å; I89-I149 HydrophobicContact CG1-CG2 3.71Å; I89-L150 CarbonylContact C-O 3.56Å; I89-L150 WeakPolarHBondContact CA-O 3.01Å; I89-F164 HydrophobicContact CD1-CD1 4.49Å; I89-F164 HydrophobicContact CD1-CE1 3.33Å; I89-F164 HydrophobicContact CD1-CZ 3.58Å; I89-L168 HydrophobicContact CD1-CD2 4.33Å
90	V	94.9	Very high	84.3	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.2	168.3	63.3	0	0	0	0	110	C105 P108 F137 A141 I149 L150	V90-C105 CarbonylContact C-O 3.57Å; V90-C105 WeakPolarHBondContact CA-O 3.45Å; V90-P108 HydrophobicContact CB-CG 4.32Å; V90-P108 HydrophobicContact CG2-CG 4.23Å; V90-F137 HydrophobicContact CB-CZ 4.13Å; V90-F137 HydrophobicContact CG1-CE1 4.34Å; V90-F137 HydrophobicContact CG1-CE2 3.88Å; V90-F137 HydrophobicContact CG1-CZ 3.57Å; V90-A141 HydrophobicContact CG1-CB 3.81Å; V90-I149 CarbonylContact O-C 3.59Å; V90-I149 WeakPolarHBondContact O-CA 3.3Å; V90-L150 HydrophobicContact CG1-CB 3.73Å; V90-L150 HydrophobicContact CG1-CD1 4.02Å; V90-L150 HydrophobicContact CG1-CG 4.25Å; V90-L150 PolarHBondContact N-O 3.46Å; V90-L150 PolarHBondContact O-N 2.98Å
91	G	94.4	Very high	85.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	177.1	178.4	0	0	0	0	0	111.9	L93 C105 R106	G91-L93 PolarHBondContact O-N 3.35Å; G91-C105 PolarHBondContact N-O 2.9Å; G91-C105 CarbonylContact O-C 3.48Å; G91-R106 VanDerWaalsContact O-CA 3.28Å; G91-R106 WeakPolarHBondContact O-CA 3.44Å; G91-R106 PolarHBondContact O-N 3.21Å
92	N	93	Very high	86.5	Confident	34 Å²	34	63.4 Å²	63.4	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-75.4	69.4	173.8	-73	2.8	0	0	0	110.5	C123 S124 R144 T146	N92-C123 WeakPolarHBondContact O-CA 3.28Å; N92-S124 WeakPolarHBondContact CB-OG 3.4Å; N92-S124 PolarHBondContact ND2-OG 2.87Å; N92-S124 PolarHBondContact O-N 2.72Å; N92-S124 VanDerWaalsContact O-N 3.14Å; N92-R144 PolarHBondContact OD1-NH1 2.8Å; N92-T146 VanDerWaalsContact ND2-CB 3.3Å; N92-T146 WeakPolarHBondContact ND2-CB 3.18Å; N92-T146 WeakPolarHBondContact ND2-CG2 3.35Å; N92-T146 PolarHBondContact ND2-O 2.84Å
93	L	94.5	Very high	87.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.4	-176.5	178.4	69.4	0	0	0	108.9	I89 G91 L95 C105 I120 S122 C123 I149 F164 L168	I89-L93 HydrophobicContact CD1-CD2 3.68Å; G91-L93 PolarHBondContact O-N 3.35Å; L93-L95 HydrophobicContact CD1-CD2 3.7Å; L93-L95 HydrophobicContact CD2-CD1 4.27Å; L93-L95 HydrophobicContact CD2-CD2 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.14Å; L93-L95 HydrophobicContact CG-CD2 3.73Å; L93-L95 HydrophobicContact CG-CG 4.04Å; L93-C105 HydrophobicContact CB-CB 4.08Å; L93-C105 HydrophobicContact CD2-CB 4.4Å; L93-C105 HydrophobicContact CG-CB 4.44Å; L93-C105 WeakPolarHBondContact O-CA 3.25Å; L93-C105 VanDerWaalsContact O-CB 3.26Å; L93-C105 WeakPolarHBondContact O-CB 3.33Å; L93-C105 PolarHBondContact O-N 2.8Å; L93-I120 HydrophobicContact CD1-CG2 3.9Å; L93-S122 CarbonylContact C-O 3.52Å; L93-S122 WeakPolarHBondContact CA-O 3.36Å; L93-C123 HydrophobicContact CD1-CB 3.93Å; L93-I149 HydrophobicContact CB-CD1 4.04Å; L93-I149 HydrophobicContact CB-CG1 4.24Å; L93-I149 HydrophobicContact CD1-CD1 4.37Å; L93-I149 HydrophobicContact CD2-CD1 4.16Å; L93-I149 HydrophobicContact CG-CD1 4.43Å; L93-F164 HydrophobicContact CD2-CZ 4.31Å; L93-L168 HydrophobicContact CD1-CD1 4.03Å; L93-L168 HydrophobicContact CD2-CD1 4Å; L93-L168 HydrophobicContact CD2-CD2 4.34Å
94	I	94.8	Very high	89	Confident	37 Å²	37	63.7 Å²	63.7	19%	0.19	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.9	171.8	-59.2	176.9	0	0	0	107.2	V102 C121 S122	I94-V102 HydrophobicContact CG2-CG1 3.6Å; I94-C121 HydrophobicContact CB-CB 4.23Å; I94-C121 HydrophobicContact CG2-CB 3.96Å; I94-C121 PolarHBondContact O-N 2.84Å; I94-S122 PolarHBondContact N-O 2.99Å; I94-S122 PolarHBondContact O-N 3.28Å
95	L	94.2	Very high	90	Very high	0 Å²	0	58 Å²	58	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.1	-179.8	-53.2	176.7	0	0	0	110	L93 V102 I103 F118 N119 I120 F164	L93-L95 HydrophobicContact CD1-CD2 3.7Å; L93-L95 HydrophobicContact CD2-CD1 4.27Å; L93-L95 HydrophobicContact CD2-CD2 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.14Å; L93-L95 HydrophobicContact CG-CD2 3.73Å; L93-L95 HydrophobicContact CG-CG 4.04Å; L95-V102 CarbonylContact O-C 3.55Å; L95-V102 WeakPolarHBondContact O-CA 3.31Å; L95-I103 HydrophobicContact CB-CB 4.22Å; L95-I103 PolarHBondContact N-O 3.41Å; L95-I103 PolarHBondContact O-N 2.78Å; L95-F118 HydrophobicContact CB-CB 4.3Å; L95-F118 HydrophobicContact CD1-CD2 4.5Å; L95-F118 HydrophobicContact CD1-CG 4.42Å; L95-F118 HydrophobicContact CD2-CD2 3.63Å; L95-F118 HydrophobicContact CD2-CE2 3.94Å; L95-F118 HydrophobicContact CD2-CG 4.3Å; L95-F118 HydrophobicContact CG-CD2 4.49Å; L95-N119 CarbonylContact C-O 3.49Å; L95-N119 VanDerWaalsContact CA-O 3.27Å; L95-N119 WeakPolarHBondContact CA-O 3.33Å; L95-I120 HydrophobicContact CD2-CG1 4.07Å; L95-F164 HydrophobicContact CD1-CE2 3.61Å; L95-F164 HydrophobicContact CD1-CZ 3.87Å
96	E	91.9	Very high	90.8	Very high	56 Å²	56	63.6 Å²	63.6	26%	0.262	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.7	170	175.6	-170.3	-128.8	0	0	109.1	E101 F118 N119 C121	E96-E101 CarbonylContact C-O 3.42Å; E96-E101 WeakPolarHBondContact CA-O 3.33Å; E96-F118 CarbonylContact O-C 3.46Å; E96-F118 WeakPolarHBondContact O-CA 3.13Å; E96-N119 HydrophobicContact CB-CB 4.44Å; E96-N119 PolarHBondContact N-O 3.08Å; E96-N119 PolarHBondContact O-N 3.14Å; E96-N119 PolarHBondContact OE2-ND2 3.13Å; E96-C121 WeakPolarHBondContact CB-SG 3.36Å
97	T	87.8	Confident	91.2	Very high	23 Å²	23	62.1 Å²	62.1	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	163.7	175.4	78.1	0	0	0	0	111.1	R99 R100 E101 I103 H117	T97-R99 PolarHBondContact O-N 3.38Å; T97-R99 PolarHBondContact OG1-N 2.81Å; T97-R100 WeakPolarHBondContact O-CA 3.31Å; T97-R100 PolarHBondContact O-N 3.45Å; T97-E101 HydrophobicContact CG2-CB 4.2Å; T97-E101 PolarHBondContact N-O 3.31Å; T97-E101 WeakPolarHBondContact OG1-CB 3.32Å; T97-E101 PolarHBondContact OG1-N 3.12Å; T97-E101 PolarHBondContact OG1-OE2 2.88Å; T97-I103 HydrophobicContact CG2-CD1 3.53Å; T97-I103 HydrophobicContact CG2-CG1 3.99Å; T97-H117 CarbonylContact C-O 3.51Å; T97-H117 VanDerWaalsContact C-O 3.29Å; T97-H117 VanDerWaalsContact CA-O 3.22Å; T97-H117 WeakPolarHBondContact CA-O 2.97Å
98	R	82.9	Confident	91.4	Very high	194 Å²	194	65.1 Å²	65.1	73%	0.732	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.5	172	-178.5	175.9	175.8	-170.1	-0	113.5	R100 H117	R98-R100 PolarHBondContact O-N 3.18Å; R98-H117 HydrophobicContact CB-CB 3.83Å; R98-H117 PolarHBondContact N-O 3.35Å
99	R	84.2	Confident	91.3	Very high	207 Å²	207	65.8 Å²	65.8	78%	0.781	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	7.3	174.1	-65.5	-176.8	176.1	176.3	-2.1	113.4	T97 E101	T97-R99 PolarHBondContact O-N 3.38Å; T97-R99 PolarHBondContact OG1-N 2.81Å; R99-E101 HydrophobicContact CB-CG 4.11Å; R99-E101 PolarHBondContact O-N 2.99Å
100	R	85.4	Confident	91.2	Very high	206 Å²	206	69.4 Å²	69.4	78%	0.777	32%	0.324	S	S	*	.			trans	60.8	26.2	-172.8	-56.1	-176.8	176.5	-178.4	-2.2	113.3	T97 R98	T97-R100 WeakPolarHBondContact O-CA 3.31Å; T97-R100 PolarHBondContact O-N 3.45Å; R98-R100 PolarHBondContact O-N 3.18Å
101	E	89.2	Confident	90.9	Very high	107 Å²	107	69.5 Å²	69.5	50%	0.5	32%	0.324	S	S	.	.			trans	-84.3	124.3	172.1	-61.7	167	156.3	0	0	108.1	E96 T97 R99	E96-E101 CarbonylContact C-O 3.42Å; E96-E101 WeakPolarHBondContact CA-O 3.33Å; T97-E101 HydrophobicContact CG2-CB 4.2Å; T97-E101 PolarHBondContact N-O 3.31Å; T97-E101 WeakPolarHBondContact OG1-CB 3.32Å; T97-E101 PolarHBondContact OG1-N 3.12Å; T97-E101 PolarHBondContact OG1-OE2 2.88Å; R99-E101 HydrophobicContact CB-CG 4.11Å; R99-E101 PolarHBondContact O-N 2.99Å
102	V	91.9	Very high	90.4	Very high	100 Å²	100	70.7 Å²	70.7	61%	0.606	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	124	176.8	-179.9	0	0	0	0	108.9	I94 L95	I94-V102 HydrophobicContact CG2-CG1 3.6Å; L95-V102 CarbonylContact O-C 3.55Å; L95-V102 WeakPolarHBondContact O-CA 3.31Å
103	I	92.3	Very high	89.5	Confident	36 Å²	36	70.7 Å²	70.7	19%	0.185	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	110	173.7	-55.2	178.7	0	0	0	107.4	L95 T97 C105 T109 P112	L95-I103 HydrophobicContact CB-CB 4.22Å; L95-I103 PolarHBondContact N-O 3.41Å; L95-I103 PolarHBondContact O-N 2.78Å; T97-I103 HydrophobicContact CG2-CD1 3.53Å; T97-I103 HydrophobicContact CG2-CG1 3.99Å; I103-C105 PolarHBondContact O-N 3.3Å; I103-T109 HydrophobicContact CG2-CG2 3.77Å; I103-P112 HydrophobicContact CD1-CB 4.47Å; I103-P112 HydrophobicContact CD1-CG 3.7Å
104	D	93.1	Very high	88.4	Confident	48 Å²	48	75.2 Å²	75.2	26%	0.257	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	102.7	177.9	-174.8	-0.1	0	0	0	110.7	R106 T109	D104-R106 VanDerWaalsContact CG-NE 3.29Å; D104-R106 PolarHBondContact O-N 3.03Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 WeakPolarHBondContact OD1-CG 3.43Å; D104-R106 IonicContact OD1-CZ 3.7Å; D104-R106 PolarHBondContact OD1-N 3Å; D104-R106 IonicContact OD1-NE 2.81Å; D104-R106 PolarHBondContact OD1-NE 3.11Å; D104-R106 IonicContact OD1-NH2 3.76Å; D104-R106 IonicContact OD2-CZ 3.22Å; D104-R106 VanDerWaalsContact OD2-CZ 3.22Å; D104-R106 IonicContact OD2-NE 3.01Å; D104-R106 PolarHBondContact OD2-NE 3.04Å; D104-R106 IonicContact OD2-NH2 2.65Å; D104-R106 PolarHBondContact OD2-NH2 2.9Å; D104-T109 PolarHBondContact O-OG1 3.43Å
105	C	93.5	Very high	87	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.5	179	-53.7	0	0	0	0	112.9	I89 V90 G91 L93 I103 I107	I89-C105 HydrophobicContact CG1-CB 4.45Å; I89-C105 HydrophobicContact CG2-CB 4.42Å; V90-C105 CarbonylContact C-O 3.57Å; V90-C105 WeakPolarHBondContact CA-O 3.45Å; G91-C105 PolarHBondContact N-O 2.9Å; G91-C105 CarbonylContact O-C 3.48Å; L93-C105 HydrophobicContact CB-CB 4.08Å; L93-C105 HydrophobicContact CD2-CB 4.4Å; L93-C105 HydrophobicContact CG-CB 4.44Å; L93-C105 WeakPolarHBondContact O-CA 3.25Å; L93-C105 VanDerWaalsContact O-CB 3.26Å; L93-C105 WeakPolarHBondContact O-CB 3.33Å; L93-C105 PolarHBondContact O-N 2.8Å; I103-C105 PolarHBondContact O-N 3.3Å; C105-I107 CarbonylContact C-O 3.54Å; C105-I107 PolarHBondContact O-N 3.26Å
106	R	91.9	Very high	85.4	Confident	128 Å²	128	77.2 Å²	77.2	48%	0.483	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.8	173.7	-66.5	174.7	-68.3	-175.2	0.2	112.7	G91 D104 R144	G91-R106 VanDerWaalsContact O-CA 3.28Å; G91-R106 WeakPolarHBondContact O-CA 3.44Å; G91-R106 PolarHBondContact O-N 3.21Å; D104-R106 VanDerWaalsContact CG-NE 3.29Å; D104-R106 PolarHBondContact O-N 3.03Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 WeakPolarHBondContact OD1-CG 3.43Å; D104-R106 IonicContact OD1-CZ 3.7Å; D104-R106 PolarHBondContact OD1-N 3Å; D104-R106 IonicContact OD1-NE 2.81Å; D104-R106 PolarHBondContact OD1-NE 3.11Å; D104-R106 IonicContact OD1-NH2 3.76Å; D104-R106 IonicContact OD2-CZ 3.22Å; D104-R106 VanDerWaalsContact OD2-CZ 3.22Å; D104-R106 IonicContact OD2-NE 3.01Å; D104-R106 PolarHBondContact OD2-NE 3.04Å; D104-R106 IonicContact OD2-NH2 2.65Å; D104-R106 PolarHBondContact OD2-NH2 2.9Å; R106-R144 PolarHBondContact O-NH2 3.14Å
107	I	90.9	Very high	84.5	Confident	109 Å²	109	78 Å²	78	56%	0.559	37%	0.367	S	S	*	.	S	Bend	trans	-108.5	151.9	169.1	60.1	172.7	0	0	0	110	C105 T109	C105-I107 CarbonylContact C-O 3.54Å; C105-I107 PolarHBondContact O-N 3.26Å; I107-T109 PolarHBondContact O-N 2.94Å; I107-T109 PolarHBondContact O-OG1 2.99Å
108	P	91.7	Very high	84.4	Confident	63 Å²	63	77.1 Å²	77.1	41%	0.409	36%	0.361	S	S	.	.			trans	-52.1	115.7	174.3	-28.3	36.8	0	0	0	112.3	V90 F137 A141	V90-P108 HydrophobicContact CB-CG 4.32Å; V90-P108 HydrophobicContact CG2-CG 4.23Å; P108-F137 HydrophobicContact CB-CE1 4.23Å; P108-A141 HydrophobicContact CG-CB 4.33Å
109	T	91.7	Very high	84.8	Confident	33 Å²	33	72.2 Å²	72.2	20%	0.202	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.3	-175	-58.6	0	0	0	0	109.9	L88 I89 I103 D104 I107	L88-T109 CarbonylContact C-O 3.29Å; L88-T109 WeakPolarHBondContact CA-O 3.33Å; I89-T109 WeakPolarHBondContact CG2-O 3.47Å; I89-T109 PolarHBondContact N-O 3.34Å; I89-T109 PolarHBondContact O-N 3.05Å; I103-T109 HydrophobicContact CG2-CG2 3.77Å; D104-T109 PolarHBondContact O-OG1 3.43Å; I107-T109 PolarHBondContact O-N 2.94Å; I107-T109 PolarHBondContact O-OG1 2.99Å
110	S	90.6	Very high	85.2	Confident	76 Å²	76	64.8 Å²	64.8	53%	0.531	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.1	173.7	-59.9	0	0	0	0	111.4	G87	G87-S110 WeakPolarHBondContact O-CA 3.15Å
111	I	89.7	Confident	85.5	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-62.2	130.9	177.5	-71.9	176	0	0	0	109.6	S85 G87 I89 S113 T161 F164	S85-I111 WeakPolarHBondContact CB-O 3.42Å; G87-I111 PolarHBondContact O-N 3.41Å; I89-I111 HydrophobicContact CB-CG1 4.03Å; I89-I111 HydrophobicContact CG2-CG1 4Å; I111-S113 PolarHBondContact O-N 3.24Å; I111-T161 HydrophobicContact CD1-CG2 3.71Å; I111-F164 HydrophobicContact CD1-CD1 4.13Å; I111-F164 HydrophobicContact CG1-CD1 4.25Å; I111-F164 HydrophobicContact CG2-CB 3.39Å; I111-F164 HydrophobicContact CG2-CD1 3.95Å; I111-F164 HydrophobicContact CG2-CD2 3.95Å; I111-F164 HydrophobicContact CG2-CG 3.46Å; I111-F164 VanDerWaalsContact CG2-CG 3.46Å
112	P	83.6	Confident	85.7	Confident	24 Å²	24	56.3 Å²	56.3	16%	0.156	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-58.2	130.3	177.2	-24.9	34.2	0	0	0	111.2	I103 F114	I103-P112 HydrophobicContact CD1-CB 4.47Å; I103-P112 HydrophobicContact CD1-CG 3.7Å; P112-F114 PolarHBondContact O-N 3.29Å
113	S	73.8	Confident	85.8	Confident	35 Å²	35	53.6 Å²	53.6	25%	0.245	29%	0.293	C	S	.	.	S	Bend	trans	-68.1	-18.4	-179.6	-61.3	0	0	0	0	113.2	L82 S85 I111 P115	L82-S113 WeakPolarHBondContact CD1-O 3.43Å; S85-S113 PolarHBondContact N-OG 3.46Å; I111-S113 PolarHBondContact O-N 3.24Å; S113-P115 VanDerWaalsContact C-CD 3.43Å; S113-P115 VanDerWaalsContact O-CD 3.29Å; S113-P115 WeakPolarHBondContact O-CD 3.28Å
114	F	71.5	Confident	85.8	Confident	95 Å²	95	55 Å²	55	42%	0.417	31%	0.306	S	S	.	.			trans	-118.4	72.8	177.7	-63.2	-86.1	0	0	0	110.7	L82 P112 E116 H117	L82-F114 HydrophobicContact CD1-CD1 3.38Å; L82-F114 HydrophobicContact CD1-CE1 3.38Å; L82-F114 HydrophobicContact CD1-CG 4.13Å; L82-F114 HydrophobicContact CD1-CZ 4.13Å; L82-F114 HydrophobicContact CG-CE1 4.28Å; P112-F114 PolarHBondContact O-N 3.29Å; F114-E116 PolarHBondContact O-N 2.91Å; F114-E116 VanDerWaalsContact O-N 3.15Å; F114-H117 PolarHBondContact O-N 3.49Å
115	P	65	Low	85.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-67.2	-13.2	-175.4	28.1	-37.7	0	0	0	114.5	S113 H117 F118 L163 F164	S113-P115 VanDerWaalsContact C-CD 3.43Å; S113-P115 VanDerWaalsContact O-CD 3.29Å; S113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-H117 PolarHBondContact O-N 2.9Å; P115-H117 VanDerWaalsContact O-N 3.14Å; P115-F118 HydrophobicContact CB-CD1 4.11Å; P115-F118 HydrophobicContact CB-CE1 3.8Å; P115-F118 WeakPolarHBondContact O-CD1 3.5Å; P115-F118 WeakPolarHBondContact O-CE1 3.31Å; P115-L163 HydrophobicContact CG-CB 3.74Å; P115-L163 HydrophobicContact CG-CD2 3.42Å; P115-L163 VanDerWaalsContact CG-CD2 3.42Å; P115-L163 HydrophobicContact CG-CG 3.4Å; P115-F164 VanDerWaalsContact CB-CA 3.43Å; P115-F164 HydrophobicContact CB-CB 3.75Å; P115-F164 HydrophobicContact CB-CD2 3.93Å; P115-F164 HydrophobicContact CB-CG 4.33Å; P115-F164 HydrophobicContact CG-CB 4.24Å
116	E	62	Low	85.9	Confident	79 Å²	79	59.5 Å²	59.5	37%	0.369	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-70.3	-14.2	-179.5	-55.4	-149.1	178.6	0	0	113.4	F77 F114 L163	F77-E116 WeakPolarHBondContact CD1-OE1 3.36Å; F77-E116 HydrophobicContact CD2-CG 4.2Å; F77-E116 VanDerWaalsContact CD2-OE1 3.31Å; F77-E116 WeakPolarHBondContact CD2-OE1 2.91Å; F77-E116 HydrophobicContact CE1-CG 4.07Å; F77-E116 WeakPolarHBondContact CE1-OE1 3.32Å; F77-E116 WeakPolarHBondContact CE1-OE2 3.22Å; F77-E116 HydrophobicContact CE2-CB 4.28Å; F77-E116 HydrophobicContact CE2-CG 3.4Å; F77-E116 WeakPolarHBondContact CE2-OE1 3.19Å; F77-E116 VanDerWaalsContact CG-OE1 3.25Å; F77-E116 WeakPolarHBondContact CG-OE1 3.03Å; F77-E116 HydrophobicContact CZ-CB 3.99Å; F77-E116 HydrophobicContact CZ-CG 3.36Å; F77-E116 WeakPolarHBondContact CZ-OE1 3.31Å; F77-E116 WeakPolarHBondContact CZ-OE2 3.25Å; F114-E116 PolarHBondContact O-N 2.91Å; F114-E116 VanDerWaalsContact O-N 3.15Å; E116-L163 HydrophobicContact CG-CD2 4.2Å
117	H	72.3	Confident	86	Confident	73 Å²	73	56.5 Å²	56.5	34%	0.338	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-116.3	28.3	-172.8	-62.7	117.4	0	0	0	112.4	T97 R98 F114 P115	T97-H117 CarbonylContact C-O 3.51Å; T97-H117 VanDerWaalsContact C-O 3.29Å; T97-H117 VanDerWaalsContact CA-O 3.22Å; T97-H117 WeakPolarHBondContact CA-O 2.97Å; R98-H117 HydrophobicContact CB-CB 3.83Å; R98-H117 PolarHBondContact N-O 3.35Å; F114-H117 PolarHBondContact O-N 3.49Å; P115-H117 PolarHBondContact O-N 2.9Å; P115-H117 VanDerWaalsContact O-N 3.14Å
118	F	85.8	Confident	86.2	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	151.2	164.1	71.3	-100.6	0	0	0	111.7	L95 E96 P115 I120 F164 A167 L168 R171	L95-F118 HydrophobicContact CB-CB 4.3Å; L95-F118 HydrophobicContact CD1-CD2 4.5Å; L95-F118 HydrophobicContact CD1-CG 4.42Å; L95-F118 HydrophobicContact CD2-CD2 3.63Å; L95-F118 HydrophobicContact CD2-CE2 3.94Å; L95-F118 HydrophobicContact CD2-CG 4.3Å; L95-F118 HydrophobicContact CG-CD2 4.49Å; E96-F118 CarbonylContact O-C 3.46Å; E96-F118 WeakPolarHBondContact O-CA 3.13Å; P115-F118 HydrophobicContact CB-CD1 4.11Å; P115-F118 HydrophobicContact CB-CE1 3.8Å; P115-F118 WeakPolarHBondContact O-CD1 3.5Å; P115-F118 WeakPolarHBondContact O-CE1 3.31Å; F118-I120 HydrophobicContact CD2-CG1 3.97Å; F118-I120 HydrophobicContact CE2-CD1 4.06Å; F118-I120 HydrophobicContact CE2-CG1 3.66Å; F118-F164 HydrophobicContact CD1-CD2 4.06Å; F118-F164 AromaticContact CD1-CE2 3.97Å; F118-F164 HydrophobicContact CD1-CE2 3.97Å; F118-F164 AromaticContact CE1-CD2 3.53Å; F118-F164 HydrophobicContact CE1-CD2 3.53Å; F118-F164 AromaticContact CE1-CE2 3.56Å; F118-F164 HydrophobicContact CE1-CE2 3.56Å; F118-F164 HydrophobicContact CZ-CD2 4.22Å; F118-F164 AromaticContact CZ-CE2 3.94Å; F118-F164 HydrophobicContact CZ-CE2 3.94Å; F118-A167 HydrophobicContact CE1-CB 4Å; F118-A167 HydrophobicContact CZ-CB 3.92Å; F118-L168 HydrophobicContact CZ-CB 4.41Å; F118-R171 PolarHBondContact O-NH1 3.13Å
119	N	90	Very high	86.3	Confident	92 Å²	92	49.1 Å²	49.1	49%	0.492	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	151.3	159.3	-66.4	-37.1	0	0	0	107.9	L95 E96	L95-N119 CarbonylContact C-O 3.49Å; L95-N119 VanDerWaalsContact CA-O 3.27Å; L95-N119 WeakPolarHBondContact CA-O 3.33Å; E96-N119 HydrophobicContact CB-CB 4.44Å; E96-N119 PolarHBondContact N-O 3.08Å; E96-N119 PolarHBondContact O-N 3.14Å; E96-N119 PolarHBondContact OE2-ND2 3.13Å
120	I	92.6	Very high	86.4	Confident	50 Å²	50	47.6 Å²	47.6	26%	0.256	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.4	174	-57.5	-178.7	0	0	0	107	L93 L95 F118 C123 L168 R171 T172	L93-I120 HydrophobicContact CD1-CG2 3.9Å; L95-I120 HydrophobicContact CD2-CG1 4.07Å; F118-I120 HydrophobicContact CD2-CG1 3.97Å; F118-I120 HydrophobicContact CE2-CD1 4.06Å; F118-I120 HydrophobicContact CE2-CG1 3.66Å; I120-C123 HydrophobicContact CG2-CB 3.75Å; I120-L168 HydrophobicContact CD1-CD1 3.87Å; I120-R171 HydrophobicContact CD1-CB 3.71Å; I120-T172 HydrophobicContact CD1-CG2 3.28Å
121	C	92.8	Very high	86.5	Confident	74 Å²	74	44 Å²	44	50%	0.5	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-38.5	178.7	-58.7	0	0	0	0	111.4	I94 E96	I94-C121 HydrophobicContact CB-CB 4.23Å; I94-C121 HydrophobicContact CG2-CB 3.96Å; I94-C121 PolarHBondContact O-N 2.84Å; E96-C121 WeakPolarHBondContact CB-SG 3.36Å
122	S	93.2	Very high	86.4	Confident	61 Å²	61	45 Å²	45	43%	0.427	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	136.1	179.1	177.7	0	0	0	0	109.6	L93 I94	L93-S122 CarbonylContact C-O 3.52Å; L93-S122 WeakPolarHBondContact CA-O 3.36Å; I94-S122 PolarHBondContact N-O 2.99Å; I94-S122 PolarHBondContact O-N 3.28Å
123	C	93.8	Very high	86.5	Confident	44 Å²	44	48 Å²	48	30%	0.297	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	117	173.6	-179.4	0	0	0	0	109	N92 L93 I120 T172	N92-C123 WeakPolarHBondContact O-CA 3.28Å; L93-C123 HydrophobicContact CD1-CB 3.93Å; I120-C123 HydrophobicContact CG2-CB 3.75Å; C123-T172 HydrophobicContact CB-CG2 4.4Å
124	S	92.8	Very high	87.1	Confident	66 Å²	66	48.9 Å²	48.9	46%	0.462	26%	0.257	S	S	.	.			trans	-113.3	3.6	178.6	79.4	0	0	0	0	113.8	N92	N92-S124 WeakPolarHBondContact CB-OG 3.4Å; N92-S124 PolarHBondContact ND2-OG 2.87Å; N92-S124 PolarHBondContact O-N 2.72Å; N92-S124 VanDerWaalsContact O-N 3.14Å
125	A	93.8	Very high	87.8	Confident	11 Å²	11	48.4 Å²	48.4	9%	0.091	27%	0.265	C	S	.	.			trans	-72.2	155	-179.7	0	0	0	0	0	111.4	I149 L174	A125-I149 HydrophobicContact CB-CB 4.47Å; A125-I149 HydrophobicContact CB-CD1 3.8Å; A125-I149 HydrophobicContact CB-CG1 3.63Å; A125-L174 HydrophobicContact CB-CD1 4.22Å; A125-L174 WeakPolarHBondContact O-CD2 3.36Å
126	K	94	Very high	88.9	Confident	131 Å²	131	51.8 Å²	51.8	57%	0.57	28%	0.282	S	S	*	.	S	Bend	trans	-98	-23.4	176.9	-64.3	177.9	-177	161.6	0	112.8	D147 P175	K126-D147 HydrophobicContact CD-CB 4.13Å; K126-D147 WeakPolarHBondContact CE-OD2 3.42Å; K126-D147 HydrophobicContact CG-CB 4.41Å; K126-D147 PolarHBondContact N-O 2.94Å; K126-D147 IonicContact NZ-OD1 3.14Å; K126-D147 IonicContact NZ-OD2 2.72Å; K126-D147 PolarHBondContact NZ-OD2 3.3Å; K126-P175 WeakPolarHBondContact O-CD 3.41Å
127	F	94.3	Very high	90.3	Very high	65 Å²	65	48 Å²	48	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.7	176.8	62.2	-81.6	0	0	0	111.4	L129 S148 I149 P175	F127-L129 HydrophobicContact CD2-CB 4.21Å; F127-L129 HydrophobicContact CE2-CB 3.96Å; F127-S148 WeakPolarHBondContact O-CA 3.32Å; F127-I149 PolarHBondContact O-N 2.94Å; F127-P175 HydrophobicContact CB-CB 4.3Å
128	V	94.6	Very high	91.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.5	170.8	-177.1	0	0	0	0	108.4	I149 L165 L168 L174 P175 L176 V177	V128-I149 CarbonylContact C-O 3.54Å; V128-I149 VanDerWaalsContact CA-O 3.29Å; V128-I149 WeakPolarHBondContact CA-O 3.22Å; V128-I149 HydrophobicContact CG1-CB 4.46Å; V128-I149 HydrophobicContact CG1-CG2 4.24Å; V128-I149 HydrophobicContact CG2-CB 4.22Å; V128-I149 HydrophobicContact CG2-CD1 4.41Å; V128-L165 HydrophobicContact CG1-CD2 3.95Å; V128-L168 HydrophobicContact CG2-CD2 3.95Å; V128-L174 HydrophobicContact CG2-CB 4.12Å; V128-L174 HydrophobicContact CG2-CD1 4.11Å; V128-P175 PolarHBondContact N-O 3.46Å; V128-L176 HydrophobicContact CB-CD1 3.59Å; V128-L176 HydrophobicContact CG1-CD1 3.5Å; V128-V177 PolarHBondContact O-N 2.78Å
129	L	94	Very high	91.4	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	176.6	-179	62.2	0	0	0	110.4	F127 V131 L140 I149 L150 S151 V177 L179 L213	F127-L129 HydrophobicContact CD2-CB 4.21Å; F127-L129 HydrophobicContact CE2-CB 3.96Å; L129-V131 HydrophobicContact CD2-CG1 4.27Å; L129-V131 HydrophobicContact CG-CG1 4.09Å; L129-L140 HydrophobicContact CD2-CD1 4.38Å; L129-I149 PolarHBondContact N-O 3.48Å; L129-L150 HydrophobicContact CB-CD2 3.86Å; L129-L150 HydrophobicContact CD2-CD2 3.74Å; L129-L150 HydrophobicContact CG-CD2 4.18Å; L129-L150 CarbonylContact O-C 3.46Å; L129-L150 WeakPolarHBondContact O-CA 3.13Å; L129-S151 PolarHBondContact O-N 3.4Å; L129-V177 CarbonylContact C-O 3.57Å; L129-V177 WeakPolarHBondContact CA-O 3.49Å; L129-V177 HydrophobicContact CD1-CB 4.42Å; L129-V177 HydrophobicContact CD1-CG1 4.16Å; L129-L179 HydrophobicContact CD1-CB 4.09Å; L129-L213 HydrophobicContact CD1-CD2 3.99Å
130	I	93.7	Very high	91.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.8	171	-57	170.4	0	0	0	108.2	S151 L165 L176 V177 A178 L179 M180 Y193 T210	I130-S151 CarbonylContact C-O 3.36Å; I130-S151 VanDerWaalsContact CA-O 3.27Å; I130-S151 WeakPolarHBondContact CA-O 3.36Å; I130-L165 HydrophobicContact CD1-CD1 3.93Å; I130-L165 HydrophobicContact CG1-CD1 4.17Å; I130-L176 HydrophobicContact CD1-CD1 3.73Å; I130-L176 HydrophobicContact CD1-CD2 3.98Å; I130-L176 HydrophobicContact CD1-CG 3.84Å; I130-L176 HydrophobicContact CG1-CD1 3.82Å; I130-L176 HydrophobicContact CG1-CG 4.41Å; I130-V177 PolarHBondContact N-O 3.41Å; I130-A178 HydrophobicContact CB-CB 4.27Å; I130-A178 CarbonylContact O-C 3.36Å; I130-A178 WeakPolarHBondContact O-CA 3.46Å; I130-L179 PolarHBondContact O-N 2.85Å; I130-M180 HydrophobicContact CB-CE 4.28Å; I130-M180 HydrophobicContact CG2-CE 3.6Å; I130-Y193 HydrophobicContact CD1-CD1 3.87Å; I130-Y193 HydrophobicContact CD1-CD2 4.45Å; I130-Y193 HydrophobicContact CD1-CE1 3.86Å; I130-Y193 HydrophobicContact CD1-CE2 4.47Å; I130-Y193 HydrophobicContact CD1-CG 4.14Å; I130-Y193 HydrophobicContact CG2-CD2 4.37Å; I130-Y193 HydrophobicContact CG2-CE1 4.22Å; I130-Y193 HydrophobicContact CG2-CE2 3.59Å; I130-Y193 VanDerWaalsContact CG2-CZ 3.46Å; I130-Y193 WeakPolarHBondContact CG2-OH 3.47Å; I130-T210 HydrophobicContact CD1-CG2 4.24Å
131	V	92.4	Very high	91.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.1	171.4	-59.9	0	0	0	0	110.8	L129 F137 L140 S151 A152 L179	L129-V131 HydrophobicContact CD2-CG1 4.27Å; L129-V131 HydrophobicContact CG-CG1 4.09Å; V131-F137 HydrophobicContact CG2-CB 3.59Å; V131-F137 HydrophobicContact CG2-CD2 3.85Å; V131-F137 HydrophobicContact CG2-CG 4.22Å; V131-L140 HydrophobicContact CG1-CD1 3.9Å; V131-S151 PolarHBondContact N-O 3.11Å; V131-A152 HydrophobicContact CG2-CB 3.86Å; V131-A152 WeakPolarHBondContact O-CA 3.47Å; V131-L179 HydrophobicContact CG1-CB 4.4Å
132	E	89.2	Confident	91.2	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.112	28%	0.283	C	S	.	.	S	Bend	trans	-70.1	-53	-177	-167	-168.6	141.1	0	0	112.8	G155 L179 M180 D181 I189	E132-G155 PolarHBondContact O-N 2.96Å; E132-G155 VanDerWaalsContact O-N 3.14Å; E132-L179 PolarHBondContact N-O 3.17Å; E132-M180 HydrophobicContact CB-SD 3.75Å; E132-M180 HydrophobicContact CG-SD 4.2Å; E132-D181 PolarHBondContact OE2-N 3.49Å; E132-D181 VanDerWaalsContact OE2-N 3.08Å; E132-I189 HydrophobicContact CG-CD1 3.62Å; E132-I189 HydrophobicContact CG-CG2 4.49Å; E132-I189 WeakPolarHBondContact OE1-CD1 3.3Å
133	K	84.5	Confident	91	Very high	86 Å²	86	57.2 Å²	57.2	37%	0.374	29%	0.292	S	S	.	.			trans	-94	136.1	-168.8	-72.7	175.8	178.3	153.9	0	112.4	S135 I136 F137 D181	K133-S135 VanDerWaalsContact C-N 3.32Å; K133-S135 PolarHBondContact O-N 2.91Å; K133-I136 HydrophobicContact CB-CB 4.39Å; K133-I136 HydrophobicContact CB-CG1 4.06Å; K133-I136 PolarHBondContact O-N 3.04Å; K133-F137 PolarHBondContact O-N 3.35Å; K133-D181 WeakPolarHBondContact CE-OD2 3.33Å; K133-D181 IonicContact NZ-OD1 3.62Å; K133-D181 PolarHBondContact NZ-OD1 3.47Å; K133-D181 IonicContact NZ-OD2 2.74Å; K133-D181 PolarHBondContact NZ-OD2 3.41Å
134	D	86.3	Confident	90.3	Very high	55 Å²	55	58.5 Å²	58.5	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-38.1	177.3	-164.9	49.8	0	0	0	112.1	L88 I136 F137 Q138 K154	L88-D134 WeakPolarHBondContact CD1-OD1 2.92Å; D134-I136 PolarHBondContact O-N 2.86Å; D134-F137 WeakPolarHBondContact O-CB 3.31Å; D134-F137 PolarHBondContact O-N 3.08Å; D134-Q138 VanDerWaalsContact O-CG 3.32Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 2.68Å; D134-K154 HydrophobicContact CB-CG 4.25Å; D134-K154 WeakPolarHBondContact OD1-CE 3.5Å; D134-K154 IonicContact OD2-NZ 3.8Å
135	S	86.9	Confident	89.5	Confident	84 Å²	84	58.4 Å²	58.4	59%	0.587	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-42.6	178	53.2	0	0	0	0	112.8	K133 Q138 K139	K133-S135 VanDerWaalsContact C-N 3.32Å; K133-S135 PolarHBondContact O-N 2.91Å; S135-Q138 PolarHBondContact O-N 2.8Å; S135-K139 PolarHBondContact O-N 2.88Å; S135-K139 VanDerWaalsContact O-N 3.09Å
136	I	88.5	Confident	88.8	Confident	71 Å²	71	61.8 Å²	61.8	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-41.2	175.6	-59.3	-59.6	0	0	0	110.3	K133 D134 Q138 K139 L140	K133-I136 HydrophobicContact CB-CB 4.39Å; K133-I136 HydrophobicContact CB-CG1 4.06Å; K133-I136 PolarHBondContact O-N 3.04Å; D134-I136 PolarHBondContact O-N 2.86Å; I136-Q138 PolarHBondContact O-N 2.88Å; I136-K139 PolarHBondContact O-N 3.36Å; I136-L140 HydrophobicContact CG2-CD1 3.78Å; I136-L140 HydrophobicContact CG2-CG 4.22Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 3.08Å
137	F	91.5	Very high	88.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-50	173.8	178.7	-93.3	0	0	0	112.1	L88 V90 P108 V131 K133 D134 K139 L140 A141 L150 A152	L88-F137 HydrophobicContact CB-CD1 4.41Å; L88-F137 HydrophobicContact CB-CE1 3.74Å; L88-F137 HydrophobicContact CB-CE2 4.23Å; L88-F137 HydrophobicContact CB-CZ 3.62Å; L88-F137 HydrophobicContact CD1-CD1 4.09Å; L88-F137 HydrophobicContact CD1-CE1 3.87Å; L88-F137 HydrophobicContact CG-CE1 4.46Å; V90-F137 HydrophobicContact CB-CZ 4.13Å; V90-F137 HydrophobicContact CG1-CE1 4.34Å; V90-F137 HydrophobicContact CG1-CE2 3.88Å; V90-F137 HydrophobicContact CG1-CZ 3.57Å; P108-F137 HydrophobicContact CB-CE1 4.23Å; V131-F137 HydrophobicContact CG2-CB 3.59Å; V131-F137 HydrophobicContact CG2-CD2 3.85Å; V131-F137 HydrophobicContact CG2-CG 4.22Å; K133-F137 PolarHBondContact O-N 3.35Å; D134-F137 WeakPolarHBondContact O-CB 3.31Å; D134-F137 PolarHBondContact O-N 3.08Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3.45Å; F137-L140 PolarHBondContact O-N 3.37Å; F137-A141 WeakPolarHBondContact O-CB 3.29Å; F137-A141 PolarHBondContact O-N 3.31Å; F137-L150 HydrophobicContact CD2-CB 4.19Å; F137-L150 HydrophobicContact CE2-CB 3.88Å; F137-A152 HydrophobicContact CB-CB 3.78Å; F137-A152 HydrophobicContact CD2-CB 3.44Å; F137-A152 VanDerWaalsContact CD2-CB 3.44Å; F137-A152 HydrophobicContact CE2-CB 4.13Å; F137-A152 HydrophobicContact CG-CB 3.67Å
138	Q	90.1	Very high	88.4	Confident	69 Å²	69	55.4 Å²	55.4	32%	0.322	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-42	-179.4	-65.8	-57.3	-30.7	0	0	111.7	D134 S135 I136 A141 Q142	D134-Q138 VanDerWaalsContact O-CG 3.32Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 2.68Å; S135-Q138 PolarHBondContact O-N 2.8Å; I136-Q138 PolarHBondContact O-N 2.88Å; Q138-A141 PolarHBondContact O-N 3.14Å; Q138-Q142 WeakPolarHBondContact O-CG 3.25Å; Q138-Q142 PolarHBondContact O-N 3.16Å
139	K	90.9	Very high	88.4	Confident	118 Å²	118	55.4 Å²	55.4	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-51.7	176.5	-175	177.8	178.2	-177.8	0	111.5	S135 I136 F137 A141 Q142 E143	S135-K139 PolarHBondContact O-N 2.88Å; S135-K139 VanDerWaalsContact O-N 3.09Å; I136-K139 PolarHBondContact O-N 3.36Å; F137-K139 VanDerWaalsContact C-N 3.34Å; F137-K139 PolarHBondContact O-N 3.45Å; K139-A141 VanDerWaalsContact C-N 3.27Å; K139-A141 PolarHBondContact O-N 2.95Å; K139-Q142 PolarHBondContact O-N 3.42Å; K139-Q142 VanDerWaalsContact O-N 3.16Å; K139-E143 WeakPolarHBondContact CE-OE1 3.08Å; K139-E143 PolarHBondContact O-N 3.13Å; K139-E143 VanDerWaalsContact O-N 3.16Å
140	L	90.7	Very high	88.4	Confident	52 Å²	52	54.8 Å²	54.8	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-31.7	179.1	-69.3	175.4	0	0	0	112.3	L129 V131 I136 F137 Q142 E143 R144 L150	L129-L140 HydrophobicContact CD2-CD1 4.38Å; V131-L140 HydrophobicContact CG1-CD1 3.9Å; I136-L140 HydrophobicContact CG2-CD1 3.78Å; I136-L140 HydrophobicContact CG2-CG 4.22Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 3.08Å; F137-L140 PolarHBondContact O-N 3.37Å; L140-Q142 VanDerWaalsContact C-N 3.28Å; L140-Q142 PolarHBondContact O-N 3.4Å; L140-E143 CarbonylContact O-C 3.22Å; L140-E143 PolarHBondContact O-N 3.39Å; L140-R144 VanDerWaalsContact O-CA 3.27Å; L140-R144 WeakPolarHBondContact O-CA 3.1Å; L140-R144 VanDerWaalsContact O-CB 3.26Å; L140-R144 WeakPolarHBondContact O-CB 3.25Å; L140-R144 PolarHBondContact O-N 2.92Å; L140-L150 HydrophobicContact CB-CD1 3.62Å
141	A	91.3	Very high	88.4	Confident	14 Å²	14	54.8 Å²	54.8	12%	0.116	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-33.8	175.7	0	0	0	0	0	112.6	V90 P108 F137 Q138 K139	V90-A141 HydrophobicContact CG1-CB 3.81Å; P108-A141 HydrophobicContact CG-CB 4.33Å; F137-A141 WeakPolarHBondContact O-CB 3.29Å; F137-A141 PolarHBondContact O-N 3.31Å; Q138-A141 PolarHBondContact O-N 3.14Å; K139-A141 VanDerWaalsContact C-N 3.27Å; K139-A141 PolarHBondContact O-N 2.95Å
142	Q	89.4	Confident	88.2	Confident	163 Å²	163	54.8 Å²	54.8	76%	0.762	28%	0.282	S	S	*	.	H	α-helix	trans	-75.9	-36.8	176.3	-68.2	173.3	10.6	0	0	112.1	Q138 K139 L140	Q138-Q142 WeakPolarHBondContact O-CG 3.25Å; Q138-Q142 PolarHBondContact O-N 3.16Å; K139-Q142 PolarHBondContact O-N 3.42Å; K139-Q142 VanDerWaalsContact O-N 3.16Å; L140-Q142 VanDerWaalsContact C-N 3.28Å; L140-Q142 PolarHBondContact O-N 3.4Å
143	E	88.5	Confident	87.4	Confident	131 Å²	131	53.7 Å²	53.7	61%	0.612	28%	0.277	S	S	*	.	S	Bend	trans	-95	7.5	-177.4	-64.4	173.5	-176.7	0	0	113.2	K139 L140	K139-E143 WeakPolarHBondContact CE-OE1 3.08Å; K139-E143 PolarHBondContact O-N 3.13Å; K139-E143 VanDerWaalsContact O-N 3.16Å; L140-E143 CarbonylContact O-C 3.22Å; L140-E143 PolarHBondContact O-N 3.39Å
144	R	79.5	Confident	87.1	Confident	70 Å²	70	54.8 Å²	54.8	26%	0.264	28%	0.282	S	S	.	.			trans	-62.3	139.4	-166.2	71.6	-177.6	-178.5	86.7	-5.8	113.2	N92 R106 L140 L150	N92-R144 PolarHBondContact OD1-NH1 2.8Å; R106-R144 PolarHBondContact O-NH2 3.14Å; L140-R144 VanDerWaalsContact O-CA 3.27Å; L140-R144 WeakPolarHBondContact O-CA 3.1Å; L140-R144 VanDerWaalsContact O-CB 3.26Å; L140-R144 WeakPolarHBondContact O-CB 3.25Å; L140-R144 PolarHBondContact O-N 2.92Å; R144-L150 HydrophobicContact CB-CD1 4.42Å
145	S	74.6	Confident	86.9	Confident	65 Å²	65	53 Å²	53	46%	0.455	28%	0.276	S	S	.	.			trans	-76.9	160.5	158.7	68.3	0	0	0	0	110.5	D147	S145-D147 PolarHBondContact O-N 2.79Å
146	T	79.1	Confident	86.8	Confident	81 Å²	81	52.7 Å²	52.7	50%	0.497	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.5	176.6	47.7	0	0	0	0	113.9	N92	N92-T146 VanDerWaalsContact ND2-CB 3.3Å; N92-T146 WeakPolarHBondContact ND2-CB 3.18Å; N92-T146 WeakPolarHBondContact ND2-CG2 3.35Å; N92-T146 PolarHBondContact ND2-O 2.84Å
147	D	88.3	Confident	86.7	Confident	55 Å²	55	49.6 Å²	49.6	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.4	-168.8	-75.4	2.2	0	0	0	113.4	K126 S145	K126-D147 HydrophobicContact CD-CB 4.13Å; K126-D147 WeakPolarHBondContact CE-OD2 3.42Å; K126-D147 HydrophobicContact CG-CB 4.41Å; K126-D147 PolarHBondContact N-O 2.94Å; K126-D147 IonicContact NZ-OD1 3.14Å; K126-D147 IonicContact NZ-OD2 2.72Å; K126-D147 PolarHBondContact NZ-OD2 3.3Å; S145-D147 PolarHBondContact O-N 2.79Å
148	S	91.8	Very high	86.3	Confident	8 Å²	8	50.2 Å²	50.2	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.5	-177.9	68.5	0	0	0	0	113.4	F127	F127-S148 WeakPolarHBondContact O-CA 3.32Å
149	I	94.8	Very high	85.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.5	160.6	-69.8	158.6	0	0	0	106.7	I89 V90 L93 A125 F127 V128 L129 L168 L174	I89-I149 HydrophobicContact CD1-CG2 3.53Å; I89-I149 HydrophobicContact CG1-CG2 3.71Å; V90-I149 CarbonylContact O-C 3.59Å; V90-I149 WeakPolarHBondContact O-CA 3.3Å; L93-I149 HydrophobicContact CB-CD1 4.04Å; L93-I149 HydrophobicContact CB-CG1 4.24Å; L93-I149 HydrophobicContact CD1-CD1 4.37Å; L93-I149 HydrophobicContact CD2-CD1 4.16Å; L93-I149 HydrophobicContact CG-CD1 4.43Å; A125-I149 HydrophobicContact CB-CB 4.47Å; A125-I149 HydrophobicContact CB-CD1 3.8Å; A125-I149 HydrophobicContact CB-CG1 3.63Å; F127-I149 PolarHBondContact O-N 2.94Å; V128-I149 CarbonylContact C-O 3.54Å; V128-I149 VanDerWaalsContact CA-O 3.29Å; V128-I149 WeakPolarHBondContact CA-O 3.22Å; V128-I149 HydrophobicContact CG1-CB 4.46Å; V128-I149 HydrophobicContact CG1-CG2 4.24Å; V128-I149 HydrophobicContact CG2-CB 4.22Å; V128-I149 HydrophobicContact CG2-CD1 4.41Å; L129-I149 PolarHBondContact N-O 3.48Å; I149-L168 HydrophobicContact CD1-CD2 4.3Å; I149-L168 HydrophobicContact CG2-CD2 4.42Å; I149-L174 HydrophobicContact CD1-CD1 4Å
150	L	94.5	Very high	85.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.7	172.3	-55	178.2	0	0	0	109.4	I89 V90 L129 F137 L140 R144	I89-L150 CarbonylContact C-O 3.56Å; I89-L150 WeakPolarHBondContact CA-O 3.01Å; V90-L150 HydrophobicContact CG1-CB 3.73Å; V90-L150 HydrophobicContact CG1-CD1 4.02Å; V90-L150 HydrophobicContact CG1-CG 4.25Å; V90-L150 PolarHBondContact N-O 3.46Å; V90-L150 PolarHBondContact O-N 2.98Å; L129-L150 HydrophobicContact CB-CD2 3.86Å; L129-L150 HydrophobicContact CD2-CD2 3.74Å; L129-L150 HydrophobicContact CG-CD2 4.18Å; L129-L150 CarbonylContact O-C 3.46Å; L129-L150 WeakPolarHBondContact O-CA 3.13Å; F137-L150 HydrophobicContact CD2-CB 4.19Å; F137-L150 HydrophobicContact CE2-CB 3.88Å; L140-L150 HydrophobicContact CB-CD1 3.62Å; R144-L150 HydrophobicContact CB-CD1 4.42Å
151	S	93	Very high	85.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.7	172.9	-177	0	0	0	0	109.6	L88 L129 I130 V131	L88-S151 CarbonylContact O-C 3.57Å; L88-S151 VanDerWaalsContact O-CA 3.27Å; L88-S151 WeakPolarHBondContact O-CA 3.07Å; L129-S151 PolarHBondContact O-N 3.4Å; I130-S151 CarbonylContact C-O 3.36Å; I130-S151 VanDerWaalsContact CA-O 3.27Å; I130-S151 WeakPolarHBondContact CA-O 3.36Å; V131-S151 PolarHBondContact N-O 3.11Å
152	A	89.1	Confident	85.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.2	173	0	0	0	0	0	110.9	G87 L88 V131 F137	G87-A152 CarbonylContact C-O 3.58Å; G87-A152 WeakPolarHBondContact CA-O 3.26Å; L88-A152 PolarHBondContact N-O 3.34Å; L88-A152 PolarHBondContact O-N 3.21Å; V131-A152 HydrophobicContact CG2-CB 3.86Å; V131-A152 WeakPolarHBondContact O-CA 3.47Å; F137-A152 HydrophobicContact CB-CB 3.78Å; F137-A152 HydrophobicContact CD2-CB 3.44Å; F137-A152 VanDerWaalsContact CD2-CB 3.44Å; F137-A152 HydrophobicContact CE2-CB 4.13Å; F137-A152 HydrophobicContact CG-CB 3.67Å
153	A	72.5	Confident	85	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	16%	0.162	C	C	.	.			trans	-114.7	7.6	175.1	0	0	0	0	0	114.9	G155 P157 T161 Y193	A153-G155 VanDerWaalsContact C-N 3.33Å; A153-G155 PolarHBondContact O-N 3.34Å; A153-P157 HydrophobicContact CB-CB 4.14Å; A153-T161 HydrophobicContact CB-CG2 4.28Å; A153-Y193 WeakPolarHBondContact CB-OH 3.26Å
154	K	78.7	Confident	85.1	Confident	109 Å²	109	25.6 Å²	25.6	47%	0.474	13%	0.133	S	C	.	.	S	Bend	trans	50.8	53.1	-177.4	-54.1	-172.6	176.9	-168.3	0	111.1	D134	D134-K154 HydrophobicContact CB-CG 4.25Å; D134-K154 WeakPolarHBondContact OD1-CE 3.5Å; D134-K154 IonicContact OD2-NZ 3.8Å
155	G	81.5	Confident	85.8	Confident	17 Å²	17	22.2 Å²	22.2	18%	0.175	12%	0.12	C	C	.	.	S	Bend	trans	98.4	-137.2	-170.3	0	0	0	0	0	112.9	E132 A153	E132-G155 PolarHBondContact O-N 2.96Å; E132-G155 VanDerWaalsContact O-N 3.14Å; A153-G155 VanDerWaalsContact C-N 3.33Å; A153-G155 PolarHBondContact O-N 3.34Å
156	Y	85.3	Confident	86.5	Confident	78 Å²	78	23 Å²	23	31%	0.306	11%	0.114	S	C	.	.	S	Bend	trans	-61.6	131.6	-177.7	-65.3	-95.5	0	0	0	112.3	R86 D158 E188 I189 N192	R86-Y156 PolarHBondContact NH2-O 3.12Å; R86-Y156 VanDerWaalsContact NH2-O 3.13Å; Y156-D158 PolarHBondContact O-N 3.32Å; Y156-E188 HydrophobicContact CE1-CB 4.33Å; Y156-E188 HydrophobicContact CE1-CG 3.94Å; Y156-E188 VanDerWaalsContact OH-CD 3.24Å; Y156-E188 PolarHBondContact OH-OE2 3.49Å; Y156-I189 HydrophobicContact CD1-CG1 3.92Å; Y156-I189 HydrophobicContact CD2-CG1 4.27Å; Y156-I189 HydrophobicContact CE1-CG1 3.97Å; Y156-I189 HydrophobicContact CE2-CG1 4.29Å; Y156-I189 HydrophobicContact CG-CG1 4.08Å; Y156-N192 HydrophobicContact CD1-CB 4.48Å
157	P	85.6	Confident	87.1	Confident	7 Å²	7	19.8 Å²	19.8	5%	0.045	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-62.9	133.9	178.3	26.6	-34.3	0	0	0	112	A153 R162 N192 Y193	A153-P157 HydrophobicContact CB-CB 4.14Å; P157-R162 HydrophobicContact CB-CG 3.77Å; P157-R162 HydrophobicContact CG-CG 4.12Å; P157-R162 PolarHBondContact O-NH1 2.78Å; P157-N192 HydrophobicContact CG-CB 4.15Å; P157-Y193 HydrophobicContact CB-CD1 3.93Å; P157-Y193 HydrophobicContact CB-CD2 4.45Å; P157-Y193 HydrophobicContact CB-CE1 3.41Å; P157-Y193 VanDerWaalsContact CB-CE1 3.41Å; P157-Y193 HydrophobicContact CB-CE2 3.97Å; P157-Y193 HydrophobicContact CB-CG 4.45Å; P157-Y193 VanDerWaalsContact CB-CZ 3.45Å; P157-Y193 HydrophobicContact CG-CD1 3.83Å; P157-Y193 HydrophobicContact CG-CD2 3.8Å; P157-Y193 HydrophobicContact CG-CE1 3.77Å; P157-Y193 HydrophobicContact CG-CE2 3.7Å; P157-Y193 HydrophobicContact CG-CG 3.88Å
158	D	82.5	Confident	87.3	Confident	12 Å²	12	17.1 Å²	17.1	6%	0.064	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-79.7	171.1	167.3	62.5	30.4	0	0	0	111.7	S85 R86 Y156 P160 T161 R162	S85-D158 WeakPolarHBondContact CA-OD2 3.46Å; R86-D158 PolarHBondContact N-OD2 3.31Å; R86-D158 IonicContact NE-OD2 3.02Å; Y156-D158 PolarHBondContact O-N 3.32Å; D158-P160 WeakPolarHBondContact OD1-CD 3.28Å; D158-T161 PolarHBondContact O-N 3.43Å; D158-T161 WeakPolarHBondContact OD1-CB 3.44Å; D158-T161 PolarHBondContact OD1-N 3.28Å; D158-T161 PolarHBondContact OD1-OG1 3.47Å; D158-R162 PolarHBondContact O-N 3.15Å
159	F	79.9	Confident	87.3	Confident	11 Å²	11	17.9 Å²	17.9	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-50	-177.6	179.8	-93.9	0	0	0	113.2	F77 L82 T161 R162 L163 I205	F77-F159 HydrophobicContact CB-CE1 3.85Å; F77-F159 HydrophobicContact CB-CZ 3.68Å; F77-F159 HydrophobicContact CD2-CE1 4.4Å; L82-F159 HydrophobicContact CD2-CD1 3.47Å; L82-F159 VanDerWaalsContact CD2-CD1 3.47Å; L82-F159 HydrophobicContact CD2-CE1 3.36Å; F159-T161 VanDerWaalsContact C-N 3.31Å; F159-T161 PolarHBondContact O-N 3.03Å; F159-R162 PolarHBondContact O-N 3.17Å; F159-L163 HydrophobicContact CE1-CB 4.42Å; F159-L163 HydrophobicContact CE1-CD2 3.93Å; F159-L163 HydrophobicContact CZ-CB 4.44Å; F159-L163 HydrophobicContact CZ-CD2 4.23Å; F159-L163 WeakPolarHBondContact O-CB 3.21Å; F159-L163 PolarHBondContact O-N 3.25Å; F159-I205 HydrophobicContact CD2-CG1 4.49Å; F159-I205 HydrophobicContact CE2-CB 4.35Å; F159-I205 HydrophobicContact CE2-CG1 3.48Å; F159-I205 VanDerWaalsContact CE2-CG1 3.48Å; F159-I205 HydrophobicContact CZ-CG1 3.83Å
160	P	82.6	Confident	87.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-37.4	177.6	-20.4	28.4	0	0	0	114	S83 D158 L163 F164	S83-P160 WeakPolarHBondContact O-CG 3.46Å; S83-P160 VanDerWaalsContact OG-CD 3.31Å; S83-P160 WeakPolarHBondContact OG-CD 3.47Å; D158-P160 WeakPolarHBondContact OD1-CD 3.28Å; P160-L163 PolarHBondContact O-N 2.96Å; P160-F164 VanDerWaalsContact O-CB 3.27Å; P160-F164 WeakPolarHBondContact O-CB 3.02Å; P160-F164 PolarHBondContact O-N 3.43Å
161	T	88.7	Confident	87	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-47.2	178.6	-59.7	0	0	0	0	111	S85 I111 A153 D158 F159 L163 F164 L165 Y193	S85-T161 PolarHBondContact OG-OG1 3.42Å; I111-T161 HydrophobicContact CD1-CG2 3.71Å; A153-T161 HydrophobicContact CB-CG2 4.28Å; D158-T161 PolarHBondContact O-N 3.43Å; D158-T161 WeakPolarHBondContact OD1-CB 3.44Å; D158-T161 PolarHBondContact OD1-N 3.28Å; D158-T161 PolarHBondContact OD1-OG1 3.47Å; F159-T161 VanDerWaalsContact C-N 3.31Å; F159-T161 PolarHBondContact O-N 3.03Å; T161-L163 PolarHBondContact O-N 3.37Å; T161-F164 PolarHBondContact O-N 3.15Å; T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CG 3.46Å; T161-L165 PolarHBondContact O-N 3.45Å; T161-Y193 HydrophobicContact CG2-CE1 4.49Å
162	R	89	Confident	86.9	Confident	9 Å²	9	29.4 Å²	29.4	3%	0.034	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-42.5	176.4	-64.5	-165.8	-61	-82.2	-1.4	112	P157 D158 F159 F164 L165 R166 Y193 I205	P157-R162 HydrophobicContact CB-CG 3.77Å; P157-R162 HydrophobicContact CG-CG 4.12Å; P157-R162 PolarHBondContact O-NH1 2.78Å; D158-R162 PolarHBondContact O-N 3.15Å; F159-R162 PolarHBondContact O-N 3.17Å; R162-F164 VanDerWaalsContact C-N 3.33Å; R162-F164 PolarHBondContact O-N 3.43Å; R162-L165 PolarHBondContact O-N 3.43Å; R162-R166 VanDerWaalsContact O-CB 3.32Å; R162-R166 WeakPolarHBondContact O-CB 3.23Å; R162-R166 PolarHBondContact O-N 3.11Å; R162-Y193 HydrophobicContact CG-CD1 4.3Å; R162-I205 HydrophobicContact CB-CB 4.29Å; R162-I205 HydrophobicContact CB-CG2 3.91Å
163	L	86.6	Confident	87.1	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-38.9	179.1	-173.4	69.1	0	0	0	111.9	F77 P115 E116 F159 P160 T161 R166 A167 I205	F77-L163 HydrophobicContact CD2-CD2 3.24Å; F77-L163 HydrophobicContact CE2-CD2 3.81Å; F77-L163 HydrophobicContact CG-CD2 4.01Å; P115-L163 HydrophobicContact CG-CB 3.74Å; P115-L163 HydrophobicContact CG-CD2 3.42Å; P115-L163 VanDerWaalsContact CG-CD2 3.42Å; P115-L163 HydrophobicContact CG-CG 3.4Å; E116-L163 HydrophobicContact CG-CD2 4.2Å; F159-L163 HydrophobicContact CE1-CB 4.42Å; F159-L163 HydrophobicContact CE1-CD2 3.93Å; F159-L163 HydrophobicContact CZ-CB 4.44Å; F159-L163 HydrophobicContact CZ-CD2 4.23Å; F159-L163 WeakPolarHBondContact O-CB 3.21Å; F159-L163 PolarHBondContact O-N 3.25Å; P160-L163 PolarHBondContact O-N 2.96Å; T161-L163 PolarHBondContact O-N 3.37Å; L163-R166 PolarHBondContact O-N 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3.31Å; L163-I205 HydrophobicContact CD1-CD1 3.55Å; L163-I205 HydrophobicContact CD1-CG1 3.96Å
164	F	90.4	Very high	88.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-50	174.7	176.3	-90.3	0	0	0	111.9	I89 L93 L95 I111 P115 F118 P160 T161 R162 R166 A167 L168	I89-F164 HydrophobicContact CD1-CD1 4.49Å; I89-F164 HydrophobicContact CD1-CE1 3.33Å; I89-F164 HydrophobicContact CD1-CZ 3.58Å; L93-F164 HydrophobicContact CD2-CZ 4.31Å; L95-F164 HydrophobicContact CD1-CE2 3.61Å; L95-F164 HydrophobicContact CD1-CZ 3.87Å; I111-F164 HydrophobicContact CD1-CD1 4.13Å; I111-F164 HydrophobicContact CG1-CD1 4.25Å; I111-F164 HydrophobicContact CG2-CB 3.39Å; I111-F164 HydrophobicContact CG2-CD1 3.95Å; I111-F164 HydrophobicContact CG2-CD2 3.95Å; I111-F164 HydrophobicContact CG2-CG 3.46Å; I111-F164 VanDerWaalsContact CG2-CG 3.46Å; P115-F164 VanDerWaalsContact CB-CA 3.43Å; P115-F164 HydrophobicContact CB-CB 3.75Å; P115-F164 HydrophobicContact CB-CD2 3.93Å; P115-F164 HydrophobicContact CB-CG 4.33Å; P115-F164 HydrophobicContact CG-CB 4.24Å; F118-F164 HydrophobicContact CD1-CD2 4.06Å; F118-F164 AromaticContact CD1-CE2 3.97Å; F118-F164 HydrophobicContact CD1-CE2 3.97Å; F118-F164 AromaticContact CE1-CD2 3.53Å; F118-F164 HydrophobicContact CE1-CD2 3.53Å; F118-F164 AromaticContact CE1-CE2 3.56Å; F118-F164 HydrophobicContact CE1-CE2 3.56Å; F118-F164 HydrophobicContact CZ-CD2 4.22Å; F118-F164 AromaticContact CZ-CE2 3.94Å; F118-F164 HydrophobicContact CZ-CE2 3.94Å; P160-F164 VanDerWaalsContact O-CB 3.27Å; P160-F164 WeakPolarHBondContact O-CB 3.02Å; P160-F164 PolarHBondContact O-N 3.43Å; T161-F164 PolarHBondContact O-N 3.15Å; R162-F164 VanDerWaalsContact C-N 3.33Å; R162-F164 PolarHBondContact O-N 3.43Å; F164-R166 VanDerWaalsContact C-N 3.28Å; F164-R166 PolarHBondContact O-N 2.98Å; F164-A167 PolarHBondContact O-N 2.94Å; F164-L168 HydrophobicContact CE1-CB 4.29Å; F164-L168 HydrophobicContact CE1-CD2 3.84Å; F164-L168 HydrophobicContact CZ-CD2 4.26Å; F164-L168 VanDerWaalsContact O-CB 3.32Å; F164-L168 WeakPolarHBondContact O-CB 3.06Å; F164-L168 PolarHBondContact O-N 2.91Å
165	L	92.4	Very high	88.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-37	179	-68.5	171.5	0	0	0	111.8	V128 I130 T161 R162 L168 T169 L176 Y193 L207	V128-L165 HydrophobicContact CG1-CD2 3.95Å; I130-L165 HydrophobicContact CD1-CD1 3.93Å; I130-L165 HydrophobicContact CG1-CD1 4.17Å; T161-L165 HydrophobicContact CG2-CD1 4.06Å; T161-L165 WeakPolarHBondContact O-CG 3.46Å; T161-L165 PolarHBondContact O-N 3.45Å; R162-L165 PolarHBondContact O-N 3.43Å; L165-L168 PolarHBondContact O-N 2.88Å; L165-T169 WeakPolarHBondContact O-CB 3.38Å; L165-T169 VanDerWaalsContact O-CG2 3.23Å; L165-T169 WeakPolarHBondContact O-CG2 3.37Å; L165-T169 PolarHBondContact O-N 3.24Å; L165-T169 PolarHBondContact O-OG1 2.7Å; L165-L176 HydrophobicContact CD2-CD1 4.33Å; L165-Y193 HydrophobicContact CD1-CD1 4.21Å; L165-Y193 HydrophobicContact CD1-CE1 3.61Å; L165-L207 HydrophobicContact CB-CD1 3.83Å; L165-L207 HydrophobicContact CB-CD2 4.39Å; L165-L207 HydrophobicContact CD1-CD1 4.18Å
166	R	90.7	Very high	89.5	Confident	82 Å²	82	35.5 Å²	35.5	31%	0.309	17%	0.168	S	C	.	.	H	α-helix	trans	-58.7	-56.2	172.8	-178.3	79.9	-173.2	175.2	12.3	110.4	R162 L163 F164 L168 T169 E170 I205 L206 L207	R162-R166 VanDerWaalsContact O-CB 3.32Å; R162-R166 WeakPolarHBondContact O-CB 3.23Å; R162-R166 PolarHBondContact O-N 3.11Å; L163-R166 PolarHBondContact O-N 3.29Å; F164-R166 VanDerWaalsContact C-N 3.28Å; F164-R166 PolarHBondContact O-N 2.98Å; R166-L168 VanDerWaalsContact C-N 3.31Å; R166-L168 PolarHBondContact O-N 3.28Å; R166-T169 PolarHBondContact O-N 3.2Å; R166-T169 PolarHBondContact O-OG1 3.06Å; R166-E170 IonicContact CZ-OE1 3.15Å; R166-E170 IonicContact NE-OE1 2.68Å; R166-E170 PolarHBondContact NE-OE1 3.35Å; R166-E170 IonicContact NH2-OE1 3.31Å; R166-E170 PolarHBondContact NH2-OE1 3.05Å; R166-E170 WeakPolarHBondContact O-CB 3.37Å; R166-E170 VanDerWaalsContact O-CG 3.31Å; R166-E170 WeakPolarHBondContact O-CG 3.11Å; R166-E170 PolarHBondContact O-N 3.4Å; R166-I205 HydrophobicContact CB-CG2 3.86Å; R166-I205 HydrophobicContact CG-CG2 4.22Å; R166-L206 VanDerWaalsContact CD-O 3.3Å; R166-L206 WeakPolarHBondContact CD-O 3.5Å; R166-L206 PolarHBondContact NH1-O 2.89Å; R166-L207 VanDerWaalsContact CA-CD2 3.49Å; R166-L207 HydrophobicContact CB-CD2 3.72Å; R166-L207 HydrophobicContact CG-CD2 4.48Å
167	A	90.5	Very high	89.9	Confident	12 Å²	12	32.4 Å²	32.4	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-38.7	-179.4	0	0	0	0	0	112.4	F118 L163 F164 R171	F118-A167 HydrophobicContact CE1-CB 4Å; F118-A167 HydrophobicContact CZ-CB 3.92Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3.31Å; F164-A167 PolarHBondContact O-N 2.94Å; A167-R171 WeakPolarHBondContact O-CB 3.49Å; A167-R171 WeakPolarHBondContact O-CD 2.92Å; A167-R171 WeakPolarHBondContact O-CG 2.79Å; A167-R171 PolarHBondContact O-N 3.04Å; A167-R171 VanDerWaalsContact O-N 3.14Å
168	L	92.4	Very high	90.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-51.2	178.3	179.8	64.3	0	0	0	111.1	I89 L93 F118 I120 V128 I149 F164 L165 R166 R171 T172	I89-L168 HydrophobicContact CD1-CD2 4.33Å; L93-L168 HydrophobicContact CD1-CD1 4.03Å; L93-L168 HydrophobicContact CD2-CD1 4Å; L93-L168 HydrophobicContact CD2-CD2 4.34Å; F118-L168 HydrophobicContact CZ-CB 4.41Å; I120-L168 HydrophobicContact CD1-CD1 3.87Å; V128-L168 HydrophobicContact CG2-CD2 3.95Å; I149-L168 HydrophobicContact CD1-CD2 4.3Å; I149-L168 HydrophobicContact CG2-CD2 4.42Å; F164-L168 HydrophobicContact CE1-CB 4.29Å; F164-L168 HydrophobicContact CE1-CD2 3.84Å; F164-L168 HydrophobicContact CZ-CD2 4.26Å; F164-L168 VanDerWaalsContact O-CB 3.32Å; F164-L168 WeakPolarHBondContact O-CB 3.06Å; F164-L168 PolarHBondContact O-N 2.91Å; L165-L168 PolarHBondContact O-N 2.88Å; R166-L168 VanDerWaalsContact C-N 3.31Å; R166-L168 PolarHBondContact O-N 3.28Å; L168-R171 PolarHBondContact O-N 2.61Å; L168-T172 HydrophobicContact CD1-CG2 3.8Å; L168-T172 WeakPolarHBondContact O-CB 3.46Å; L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 3.49Å; L168-T172 PolarHBondContact O-OG1 2.84Å
169	T	92	Very high	90.7	Very high	24 Å²	24	33.7 Å²	33.7	15%	0.147	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-37.6	-179	53.3	0	0	0	0	112.2	L165 R166 R171 Q173 L176	L165-T169 WeakPolarHBondContact O-CB 3.38Å; L165-T169 VanDerWaalsContact O-CG2 3.23Å; L165-T169 WeakPolarHBondContact O-CG2 3.37Å; L165-T169 PolarHBondContact O-N 3.24Å; L165-T169 PolarHBondContact O-OG1 2.7Å; R166-T169 PolarHBondContact O-N 3.2Å; R166-T169 PolarHBondContact O-OG1 3.06Å; T169-R171 VanDerWaalsContact C-N 3.34Å; T169-R171 PolarHBondContact O-N 3.29Å; T169-Q173 WeakPolarHBondContact O-CA 3.45Å; T169-Q173 PolarHBondContact O-N 2.72Å; T169-L176 HydrophobicContact CG2-CB 3.92Å; T169-L176 HydrophobicContact CG2-CD1 4.21Å; T169-L176 HydrophobicContact CG2-CD2 4.24Å; T169-L176 HydrophobicContact CG2-CG 4.36Å
170	E	91.1	Very high	91.2	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.453	16%	0.162	S	C	.	.	H	α-helix	trans	-64.7	-35.3	174.8	-74.2	176.6	161.7	0	0	112.8	R166 Q173	R166-E170 IonicContact CZ-OE1 3.15Å; R166-E170 IonicContact NE-OE1 2.68Å; R166-E170 PolarHBondContact NE-OE1 3.35Å; R166-E170 IonicContact NH2-OE1 3.31Å; R166-E170 PolarHBondContact NH2-OE1 3.05Å; R166-E170 WeakPolarHBondContact O-CB 3.37Å; R166-E170 VanDerWaalsContact O-CG 3.31Å; R166-E170 WeakPolarHBondContact O-CG 3.11Å; R166-E170 PolarHBondContact O-N 3.4Å; E170-Q173 PolarHBondContact O-NE2 3.26Å
171	R	91.6	Very high	91.4	Very high	116 Å²	116	35.6 Å²	35.6	44%	0.438	17%	0.174	S	C	.	.	H	α-helix	trans	-85.7	-31.2	-177.9	-69.8	170.2	-178.8	-179.8	-8.5	114	F118 I120 A167 L168 T169	F118-R171 PolarHBondContact O-NH1 3.13Å; I120-R171 HydrophobicContact CD1-CB 3.71Å; A167-R171 WeakPolarHBondContact O-CB 3.49Å; A167-R171 WeakPolarHBondContact O-CD 2.92Å; A167-R171 WeakPolarHBondContact O-CG 2.79Å; A167-R171 PolarHBondContact O-N 3.04Å; A167-R171 VanDerWaalsContact O-N 3.14Å; L168-R171 PolarHBondContact O-N 2.61Å; T169-R171 VanDerWaalsContact C-N 3.34Å; T169-R171 PolarHBondContact O-N 3.29Å
172	T	92.4	Very high	91.3	Very high	32 Å²	32	36.5 Å²	36.5	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-100.6	-16.7	-177.1	60.4	0	0	0	0	113.2	I120 C123 L168 L174	I120-T172 HydrophobicContact CD1-CG2 3.28Å; C123-T172 HydrophobicContact CB-CG2 4.4Å; L168-T172 HydrophobicContact CD1-CG2 3.8Å; L168-T172 WeakPolarHBondContact O-CB 3.46Å; L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 3.49Å; L168-T172 PolarHBondContact O-OG1 2.84Å; T172-L174 HydrophobicContact CG2-CD1 4.36Å; T172-L174 PolarHBondContact O-N 2.88Å; T172-L174 VanDerWaalsContact OG1-CG 3.28Å; T172-L174 WeakPolarHBondContact OG1-CG 3.29Å; T172-L174 PolarHBondContact OG1-N 3.33Å
173	Q	93.4	Very high	91.2	Very high	153 Å²	153	39 Å²	39	72%	0.715	20%	0.196	S	C	*	.			trans	57.2	21.2	-171.8	-58.8	-64.9	-45.7	0	0	113.4	T169 E170	T169-Q173 WeakPolarHBondContact O-CA 3.45Å; T169-Q173 PolarHBondContact O-N 2.72Å; E170-Q173 PolarHBondContact O-NE2 3.26Å
174	L	94	Very high	91.3	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.126	22%	0.223	C	C	.	.			trans	-71.9	136.9	178.5	-65.2	174.9	0	0	0	111	A125 V128 I149 T172 L176	A125-L174 HydrophobicContact CB-CD1 4.22Å; A125-L174 WeakPolarHBondContact O-CD2 3.36Å; V128-L174 HydrophobicContact CG2-CB 4.12Å; V128-L174 HydrophobicContact CG2-CD1 4.11Å; I149-L174 HydrophobicContact CD1-CD1 4Å; T172-L174 HydrophobicContact CG2-CD1 4.36Å; T172-L174 PolarHBondContact O-N 2.88Å; T172-L174 VanDerWaalsContact OG1-CG 3.28Å; T172-L174 WeakPolarHBondContact OG1-CG 3.29Å; T172-L174 PolarHBondContact OG1-N 3.33Å; L174-L176 PolarHBondContact O-N 2.79Å
175	P	94.6	Very high	91.2	Very high	69 Å²	69	49.5 Å²	49.5	45%	0.448	25%	0.249	S	C	.	.			trans	-54.4	135.6	166.6	-23.9	33.7	0	0	0	110.8	K126 F127 V128 V177	K126-P175 WeakPolarHBondContact O-CD 3.41Å; F127-P175 HydrophobicContact CB-CB 4.3Å; V128-P175 PolarHBondContact N-O 3.46Å; P175-V177 HydrophobicContact CB-CG2 4.36Å
176	L	94.4	Very high	91.1	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.9	174.7	-171.7	63.6	0	0	0	109	V128 I130 L165 T169 L174 L207 T210 Q211	V128-L176 HydrophobicContact CB-CD1 3.59Å; V128-L176 HydrophobicContact CG1-CD1 3.5Å; I130-L176 HydrophobicContact CD1-CD1 3.73Å; I130-L176 HydrophobicContact CD1-CD2 3.98Å; I130-L176 HydrophobicContact CD1-CG 3.84Å; I130-L176 HydrophobicContact CG1-CD1 3.82Å; I130-L176 HydrophobicContact CG1-CG 4.41Å; L165-L176 HydrophobicContact CD2-CD1 4.33Å; T169-L176 HydrophobicContact CG2-CB 3.92Å; T169-L176 HydrophobicContact CG2-CD1 4.21Å; T169-L176 HydrophobicContact CG2-CD2 4.24Å; T169-L176 HydrophobicContact CG2-CG 4.36Å; L174-L176 PolarHBondContact O-N 2.79Å; L176-L207 HydrophobicContact CD2-CB 3.86Å; L176-L207 HydrophobicContact CD2-CD1 3.63Å; L176-L207 HydrophobicContact CD2-CD2 4.18Å; L176-L207 HydrophobicContact CD2-CG 4.09Å; L176-T210 HydrophobicContact CD2-CG2 4.34Å; L176-T210 WeakPolarHBondContact CD2-OG1 3.36Å; L176-T210 HydrophobicContact CG-CG2 4.17Å; L176-T210 WeakPolarHBondContact O-CA 3.24Å; L176-Q211 PolarHBondContact O-N 3.37Å
177	V	93.5	Very high	91	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.085	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	-169.7	-176.3	0	0	0	0	108.1	V128 L129 I130 P175 Q211 L213	V128-V177 PolarHBondContact O-N 2.78Å; L129-V177 CarbonylContact C-O 3.57Å; L129-V177 WeakPolarHBondContact CA-O 3.49Å; L129-V177 HydrophobicContact CD1-CB 4.42Å; L129-V177 HydrophobicContact CD1-CG1 4.16Å; I130-V177 PolarHBondContact N-O 3.41Å; P175-V177 HydrophobicContact CB-CG2 4.36Å; V177-Q211 CarbonylContact C-O 3.5Å; V177-Q211 WeakPolarHBondContact CA-O 3.35Å; V177-L213 HydrophobicContact CG1-CB 3.33Å; V177-L213 HydrophobicContact CG1-CD1 4.1Å; V177-L213 HydrophobicContact CG1-CD2 3.88Å; V177-L213 HydrophobicContact CG1-CG 3.98Å
178	A	92.9	Very high	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126	-173.5	0	0	0	0	0	111	I130 M180 F190 T210 Q211 W212 L213	I130-A178 HydrophobicContact CB-CB 4.27Å; I130-A178 CarbonylContact O-C 3.36Å; I130-A178 WeakPolarHBondContact O-CA 3.46Å; A178-M180 HydrophobicContact CB-CE 3.68Å; A178-F190 HydrophobicContact CB-CD2 3.82Å; A178-F190 HydrophobicContact CB-CE2 4.17Å; A178-T210 HydrophobicContact CB-CG2 3.76Å; A178-Q211 PolarHBondContact N-O 3.21Å; A178-W212 CarbonylContact O-C 3.59Å; A178-W212 WeakPolarHBondContact O-CA 3.01Å; A178-W212 VanDerWaalsContact O-CD1 3.29Å; A178-L213 PolarHBondContact O-N 2.97Å
179	L	91.2	Very high	90.9	Very high	46 Å²	46	51.9 Å²	51.9	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.8	171.1	179.1	67.6	0	0	0	108.3	L129 I130 V131 E132 L213 I215	L129-L179 HydrophobicContact CD1-CB 4.09Å; I130-L179 PolarHBondContact O-N 2.85Å; V131-L179 HydrophobicContact CG1-CB 4.4Å; E132-L179 PolarHBondContact N-O 3.17Å; L179-L213 VanDerWaalsContact CD1-O 3.25Å; L179-L213 WeakPolarHBondContact CD1-O 3.46Å; L179-I215 HydrophobicContact CD1-CD1 4.37Å; L179-I215 HydrophobicContact CD1-CG1 4.36Å
180	M	90	Very high	90.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.02	26%	0.26	C	S	.	.			trans	-124.1	161.6	-176.4	-57.3	-63.8	160.7	0	0	109.8	I130 E132 A178 I189 F190 Y193 W212	I130-M180 HydrophobicContact CB-CE 4.28Å; I130-M180 HydrophobicContact CG2-CE 3.6Å; E132-M180 HydrophobicContact CB-SD 3.75Å; E132-M180 HydrophobicContact CG-SD 4.2Å; A178-M180 HydrophobicContact CB-CE 3.68Å; M180-I189 HydrophobicContact CE-CG2 4.2Å; M180-I189 HydrophobicContact SD-CB 4.35Å; M180-I189 HydrophobicContact SD-CG2 3.72Å; M180-F190 HydrophobicContact CG-CB 4.1Å; M180-Y193 HydrophobicContact CE-CD2 4.07Å; M180-Y193 HydrophobicContact CE-CE2 3.89Å; M180-W212 HydrophobicContact CB-CZ2 4.45Å
181	D	87.5	Confident	90.8	Very high	46 Å²	46	50.5 Å²	50.5	25%	0.246	26%	0.257	C	S	.	.			trans	-63.3	148.5	168.7	-70.3	-19.2	0	0	0	110.7	E132 K133 D183 G186	E132-D181 PolarHBondContact OE2-N 3.49Å; E132-D181 VanDerWaalsContact OE2-N 3.08Å; K133-D181 WeakPolarHBondContact CE-OD2 3.33Å; K133-D181 IonicContact NZ-OD1 3.62Å; K133-D181 PolarHBondContact NZ-OD1 3.47Å; K133-D181 IonicContact NZ-OD2 2.74Å; K133-D181 PolarHBondContact NZ-OD2 3.41Å; D181-D183 PolarHBondContact O-N 2.92Å; D181-G186 WeakPolarHBondContact O-CA 3.31Å
182	A	85.7	Confident	90.7	Very high	19 Å²	19	45.6 Å²	45.6	16%	0.157	24%	0.239	C	C	.	.	S	Bend	trans	-84.1	42	179.2	0	0	0	0	0	113	I215 I220	A182-I215 HydrophobicContact CB-CB 4.2Å; A182-I215 HydrophobicContact CB-CG2 3.58Å; A182-I215 WeakPolarHBondContact CB-O 3.37Å; A182-I220 HydrophobicContact CB-CD1 3.35Å; A182-I220 HydrophobicContact CB-CG1 4.29Å
183	D	87.3	Confident	90.6	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	23%	0.23	S	C	.	.	S	Bend	trans	-121.8	177.9	177.9	71	15.6	0	0	0	110.8	D181 Y185 G186 I187	D181-D183 PolarHBondContact O-N 2.92Å; D183-Y185 PolarHBondContact O-N 3.5Å; D183-Y185 WeakPolarHBondContact OD1-CA 3.41Å; D183-Y185 WeakPolarHBondContact OD1-CB 3.46Å; D183-Y185 PolarHBondContact OD1-N 3.12Å; D183-G186 PolarHBondContact O-N 3.29Å; D183-G186 PolarHBondContact OD1-N 2.9Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.43Å; D183-I187 PolarHBondContact O-N 2.96Å; D183-I187 VanDerWaalsContact O-N 3.14Å
184	S	89.7	Confident	90.4	Very high	87 Å²	87	39.9 Å²	39.9	61%	0.608	21%	0.209	S	C	*	.	H	α-helix	trans	-62.3	-26.9	179.4	56	0	0	0	0	113.1	E188	S184-E188 WeakPolarHBondContact O-CB 3.28Å; S184-E188 PolarHBondContact O-N 2.76Å; S184-E188 VanDerWaalsContact O-N 3.13Å
185	Y	88.4	Confident	90.1	Very high	142 Å²	142	44.3 Å²	44.3	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-75.6	-45.8	179	-67.8	-77.5	0	0	0	111.3	D183 I187 E188 I189	D183-Y185 PolarHBondContact O-N 3.5Å; D183-Y185 WeakPolarHBondContact OD1-CA 3.41Å; D183-Y185 WeakPolarHBondContact OD1-CB 3.46Å; D183-Y185 PolarHBondContact OD1-N 3.12Å; Y185-I187 VanDerWaalsContact C-N 3.3Å; Y185-I187 PolarHBondContact O-N 3Å; Y185-E188 PolarHBondContact O-N 3.09Å; Y185-E188 VanDerWaalsContact O-N 3.08Å; Y185-I189 VanDerWaalsContact O-CG1 3.31Å; Y185-I189 WeakPolarHBondContact O-CG1 3.39Å; Y185-I189 PolarHBondContact O-N 2.94Å
186	G	89.6	Confident	89.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-39.8	176.2	0	0	0	0	0	112.2	D181 D183 I189 F190	D181-G186 WeakPolarHBondContact O-CA 3.31Å; D183-G186 PolarHBondContact O-N 3.29Å; D183-G186 PolarHBondContact OD1-N 2.9Å; G186-I189 PolarHBondContact O-N 2.91Å; G186-F190 WeakPolarHBondContact O-CB 3.45Å; G186-F190 PolarHBondContact O-N 2.93Å
187	I	89.2	Confident	88.7	Confident	61 Å²	61	42.7 Å²	42.7	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-49.3	170.7	-64.6	165.7	0	0	0	110.5	D183 Y185 I189 F190 L191 W212 P217	D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.43Å; D183-I187 PolarHBondContact O-N 2.96Å; D183-I187 VanDerWaalsContact O-N 3.14Å; Y185-I187 VanDerWaalsContact C-N 3.3Å; Y185-I187 PolarHBondContact O-N 3Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.35Å; I187-F190 PolarHBondContact O-N 2.68Å; I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 HydrophobicContact CG2-CG 4.31Å; I187-L191 WeakPolarHBondContact O-CB 3.38Å; I187-L191 VanDerWaalsContact O-CG 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.36Å; I187-L191 PolarHBondContact O-N 3.02Å; I187-W212 HydrophobicContact CB-CH2 4.42Å; I187-W212 HydrophobicContact CB-CZ3 4.43Å; I187-W212 HydrophobicContact CD1-CH2 4.38Å; I187-W212 HydrophobicContact CG1-CH2 3.39Å; I187-W212 HydrophobicContact CG1-CZ3 3.65Å; I187-P217 HydrophobicContact CD1-CG 4.43Å
188	E	89.9	Confident	87.4	Confident	79 Å²	79	47.2 Å²	47.2	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-38.7	-178.5	-163.5	-169.3	167.4	0	0	112.2	Y156 S184 Y185 L191 N192	Y156-E188 HydrophobicContact CE1-CB 4.33Å; Y156-E188 HydrophobicContact CE1-CG 3.94Å; Y156-E188 VanDerWaalsContact OH-CD 3.24Å; Y156-E188 PolarHBondContact OH-OE2 3.49Å; S184-E188 WeakPolarHBondContact O-CB 3.28Å; S184-E188 PolarHBondContact O-N 2.76Å; S184-E188 VanDerWaalsContact O-N 3.13Å; Y185-E188 PolarHBondContact O-N 3.09Å; Y185-E188 VanDerWaalsContact O-N 3.08Å; E188-L191 PolarHBondContact O-N 3.16Å; E188-N192 WeakPolarHBondContact O-CB 3.48Å; E188-N192 PolarHBondContact O-N 3.47Å; E188-N192 PolarHBondContact O-ND2 3.49Å
189	I	90.2	Very high	85.8	Confident	4 Å²	4	53 Å²	53	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-45.6	176.5	-68.8	168.1	0	0	0	110.3	E132 Y156 M180 Y185 G186 I187 L191 N192 Y193	E132-I189 HydrophobicContact CG-CD1 3.62Å; E132-I189 HydrophobicContact CG-CG2 4.49Å; E132-I189 WeakPolarHBondContact OE1-CD1 3.3Å; Y156-I189 HydrophobicContact CD1-CG1 3.92Å; Y156-I189 HydrophobicContact CD2-CG1 4.27Å; Y156-I189 HydrophobicContact CE1-CG1 3.97Å; Y156-I189 HydrophobicContact CE2-CG1 4.29Å; Y156-I189 HydrophobicContact CG-CG1 4.08Å; M180-I189 HydrophobicContact CE-CG2 4.2Å; M180-I189 HydrophobicContact SD-CB 4.35Å; M180-I189 HydrophobicContact SD-CG2 3.72Å; Y185-I189 VanDerWaalsContact O-CG1 3.31Å; Y185-I189 WeakPolarHBondContact O-CG1 3.39Å; Y185-I189 PolarHBondContact O-N 2.94Å; G186-I189 PolarHBondContact O-N 2.91Å; I187-I189 VanDerWaalsContact C-N 3.33Å; I187-I189 PolarHBondContact O-N 3.35Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 3.01Å; I189-N192 WeakPolarHBondContact O-CB 3.13Å; I189-N192 PolarHBondContact O-N 3.29Å; I189-N192 VanDerWaalsContact O-N 3.16Å; I189-Y193 HydrophobicContact CG2-CD2 4.3Å; I189-Y193 HydrophobicContact CG2-CE2 4.02Å; I189-Y193 WeakPolarHBondContact O-CD2 3.46Å; I189-Y193 PolarHBondContact O-N 3.32Å
190	F	91.2	Very high	83.9	Confident	17 Å²	17	52.1 Å²	52.1	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-47.8	173.4	173.5	-105.7	0	0	0	111.7	A178 M180 G186 I187 N192 Y193 K194 T210 W212	A178-F190 HydrophobicContact CB-CD2 3.82Å; A178-F190 HydrophobicContact CB-CE2 4.17Å; M180-F190 HydrophobicContact CG-CB 4.1Å; G186-F190 WeakPolarHBondContact O-CB 3.45Å; G186-F190 PolarHBondContact O-N 2.93Å; I187-F190 PolarHBondContact O-N 2.68Å; F190-N192 VanDerWaalsContact C-N 3.27Å; F190-N192 PolarHBondContact O-N 3.04Å; F190-Y193 WeakPolarHBondContact O-CB 3.39Å; F190-Y193 PolarHBondContact O-N 3.45Å; F190-Y193 VanDerWaalsContact O-N 3.12Å; F190-K194 HydrophobicContact CE1-CD 4.01Å; F190-K194 HydrophobicContact CZ-CD 3.98Å; F190-K194 PolarHBondContact O-N 2.85Å; F190-T210 HydrophobicContact CD2-CG2 4.34Å; F190-T210 HydrophobicContact CE2-CG2 3.87Å; F190-T210 WeakPolarHBondContact CZ-O 3.3Å; F190-W212 HydrophobicContact CD1-CE3 4.09Å; F190-W212 HydrophobicContact CD2-CB 4.11Å; F190-W212 HydrophobicContact CD2-CG 4.47Å; F190-W212 HydrophobicContact CE1-CB 4.45Å; F190-W212 HydrophobicContact CE1-CE3 4.48Å; F190-W212 HydrophobicContact CE2-CB 3.77Å; F190-W212 HydrophobicContact CG-CE3 4.3Å; F190-W212 HydrophobicContact CZ-CB 3.96Å
191	L	89.9	Confident	82.2	Confident	75 Å²	75	52.7 Å²	52.7	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-33.3	178.1	-67.5	175.1	0	0	0	111.9	I187 E188 I189 Y193 K194 H195	I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 HydrophobicContact CG2-CG 4.31Å; I187-L191 WeakPolarHBondContact O-CB 3.38Å; I187-L191 VanDerWaalsContact O-CG 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.36Å; I187-L191 PolarHBondContact O-N 3.02Å; E188-L191 PolarHBondContact O-N 3.16Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 3.01Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 2.82Å; L191-K194 PolarHBondContact O-N 3.35Å; L191-H195 WeakPolarHBondContact O-CA 3.46Å; L191-H195 PolarHBondContact O-N 2.77Å
192	N	89.2	Confident	80.5	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-34.9	173.5	-95.3	-92.7	0	0	0	113	Y156 P157 E188 I189 F190 G196 P197	Y156-N192 HydrophobicContact CD1-CB 4.48Å; P157-N192 HydrophobicContact CG-CB 4.15Å; E188-N192 WeakPolarHBondContact O-CB 3.48Å; E188-N192 PolarHBondContact O-N 3.47Å; E188-N192 PolarHBondContact O-ND2 3.49Å; I189-N192 WeakPolarHBondContact O-CB 3.13Å; I189-N192 PolarHBondContact O-N 3.29Å; I189-N192 VanDerWaalsContact O-N 3.16Å; F190-N192 VanDerWaalsContact C-N 3.27Å; F190-N192 PolarHBondContact O-N 3.04Å; N192-G196 CarbonylContact O-C 3.56Å; N192-G196 WeakPolarHBondContact O-CA 3.46Å; N192-G196 PolarHBondContact O-N 2.92Å; N192-G196 VanDerWaalsContact O-N 3.14Å; N192-P197 WeakPolarHBondContact OD1-CA 3.12Å; N192-P197 WeakPolarHBondContact OD1-CB 3.41Å
193	Y	89.9	Confident	79.3	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-47	171.1	-79.7	-75.3	0	0	0	111.5	I130 A153 P157 T161 R162 L165 M180 I189 F190 L191 L207	I130-Y193 HydrophobicContact CD1-CD1 3.87Å; I130-Y193 HydrophobicContact CD1-CD2 4.45Å; I130-Y193 HydrophobicContact CD1-CE1 3.86Å; I130-Y193 HydrophobicContact CD1-CE2 4.47Å; I130-Y193 HydrophobicContact CD1-CG 4.14Å; I130-Y193 HydrophobicContact CG2-CD2 4.37Å; I130-Y193 HydrophobicContact CG2-CE1 4.22Å; I130-Y193 HydrophobicContact CG2-CE2 3.59Å; I130-Y193 VanDerWaalsContact CG2-CZ 3.46Å; I130-Y193 WeakPolarHBondContact CG2-OH 3.47Å; A153-Y193 WeakPolarHBondContact CB-OH 3.26Å; P157-Y193 HydrophobicContact CB-CD1 3.93Å; P157-Y193 HydrophobicContact CB-CD2 4.45Å; P157-Y193 HydrophobicContact CB-CE1 3.41Å; P157-Y193 VanDerWaalsContact CB-CE1 3.41Å; P157-Y193 HydrophobicContact CB-CE2 3.97Å; P157-Y193 HydrophobicContact CB-CG 4.45Å; P157-Y193 VanDerWaalsContact CB-CZ 3.45Å; P157-Y193 HydrophobicContact CG-CD1 3.83Å; P157-Y193 HydrophobicContact CG-CD2 3.8Å; P157-Y193 HydrophobicContact CG-CE1 3.77Å; P157-Y193 HydrophobicContact CG-CE2 3.7Å; P157-Y193 HydrophobicContact CG-CG 3.88Å; T161-Y193 HydrophobicContact CG2-CE1 4.49Å; R162-Y193 HydrophobicContact CG-CD1 4.3Å; L165-Y193 HydrophobicContact CD1-CD1 4.21Å; L165-Y193 HydrophobicContact CD1-CE1 3.61Å; M180-Y193 HydrophobicContact CE-CD2 4.07Å; M180-Y193 HydrophobicContact CE-CE2 3.89Å; I189-Y193 HydrophobicContact CG2-CD2 4.3Å; I189-Y193 HydrophobicContact CG2-CE2 4.02Å; I189-Y193 WeakPolarHBondContact O-CD2 3.46Å; I189-Y193 PolarHBondContact O-N 3.32Å; F190-Y193 WeakPolarHBondContact O-CB 3.39Å; F190-Y193 PolarHBondContact O-N 3.45Å; F190-Y193 VanDerWaalsContact O-N 3.12Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 2.82Å; Y193-L207 HydrophobicContact CD1-CD1 3.78Å; Y193-L207 WeakPolarHBondContact O-CB 3.44Å; Y193-L207 PolarHBondContact O-N 3.48Å
194	K	90.4	Very high	78.4	Confident	63 Å²	63	55.9 Å²	55.9	27%	0.274	30%	0.304	S	S	.	.	H	α-helix	trans	-73.4	-46	-171.6	-169	170	-179.2	161.7	0	113.5	F190 L191 P208	F190-K194 HydrophobicContact CE1-CD 4.01Å; F190-K194 HydrophobicContact CZ-CD 3.98Å; F190-K194 PolarHBondContact O-N 2.85Å; L191-K194 PolarHBondContact O-N 3.35Å; K194-P208 VanDerWaalsContact CE-O 3.31Å; K194-P208 WeakPolarHBondContact CE-O 3.26Å
195	H	87.4	Confident	77.8	Confident	117 Å²	117	53.3 Å²	53.3	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-113.3	-2.7	-172.1	-59.7	-69.5	0	0	0	113.7	L191 L206	L191-H195 WeakPolarHBondContact O-CA 3.46Å; L191-H195 PolarHBondContact O-N 2.77Å; H195-L206 WeakPolarHBondContact O-CD2 2.99Å
196	G	83.1	Confident	77.6	Confident	7 Å²	7	49.3 Å²	49.3	7%	0.072	27%	0.271	C	S	.	.			trans	77.5	174	-175.1	0	0	0	0	0	112.4	N192	N192-G196 CarbonylContact O-C 3.56Å; N192-G196 WeakPolarHBondContact O-CA 3.46Å; N192-G196 PolarHBondContact O-N 2.92Å; N192-G196 VanDerWaalsContact O-N 3.14Å
197	P	77.6	Confident	77.6	Confident	37 Å²	37	49.6 Å²	49.6	24%	0.24	27%	0.273	C	S	.	.			trans	-71.5	141.7	179.2	30.2	-36.7	0	0	0	112	N192 V199 S201	N192-P197 WeakPolarHBondContact OD1-CA 3.12Å; N192-P197 WeakPolarHBondContact OD1-CB 3.41Å; P197-V199 VanDerWaalsContact C-N 3.25Å; P197-V199 PolarHBondContact O-N 2.62Å; P197-V199 VanDerWaalsContact O-N 3.09Å; P197-S201 VanDerWaalsContact CG-OG 3.25Å; P197-S201 WeakPolarHBondContact CG-OG 3.39Å
198	S	65.9	Low	77.5	Confident	109 Å²	109	49.6 Å²	49.6	76%	0.762	28%	0.276	S	S	*	.	S	Bend	trans	-61.7	-20.1	-168.8	-51.2	0	0	0	0	115.8
199	V	57.7	Low	77.4	Confident	121 Å²	121	52.4 Å²	52.4	73%	0.733	29%	0.294	S	S	*	.	S	Bend	trans	-147.9	135.8	-174.7	-165.5	0	0	0	0	112	P197 S201	P197-V199 VanDerWaalsContact C-N 3.25Å; P197-V199 PolarHBondContact O-N 2.62Å; P197-V199 VanDerWaalsContact O-N 3.09Å; V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 2.89Å
200	G	52.7	Low	77.4	Confident	29 Å²	29	52.3 Å²	52.3	30%	0.299	29%	0.293	S	S	.	.			trans	65	15.4	153	0	0	0	0	0	117.2	G66 R76 G202	G66-G200 WeakPolarHBondContact CA-O 3.09Å; G66-G200 PolarHBondContact N-O 2.89Å; R76-G200 PolarHBondContact NH2-O 3.42Å; G200-G202 VanDerWaalsContact C-N 3.25Å; G200-G202 PolarHBondContact O-N 3.39Å
201	S	54.2	Low	77.5	Confident	16 Å²	16	57.5 Å²	57.5	11%	0.112	32%	0.318	C	S	.	.			trans	-79.6	-4.5	-178.4	70.7	0	0	0	0	114.1	R76 P197 V199 S203	R76-S201 WeakPolarHBondContact CD-O 3.45Å; R76-S201 VanDerWaalsContact CG-O 3.29Å; R76-S201 WeakPolarHBondContact CG-O 3.45Å; R76-S201 PolarHBondContact NE-O 2.89Å; P197-S201 VanDerWaalsContact CG-OG 3.25Å; P197-S201 WeakPolarHBondContact CG-OG 3.39Å; V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 2.89Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 PolarHBondContact OG-O 3.36Å
202	G	52.3	Low	77.4	Confident	14 Å²	14	55.6 Å²	55.6	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	55.3	10.1	178.9	0	0	0	0	0	114.7	C69 T75 R76 G200	C69-G202 VanDerWaalsContact CB-CA 3.49Å; T75-G202 WeakPolarHBondContact CA-O 3.27Å; R76-G202 PolarHBondContact N-O 3.36Å; G200-G202 VanDerWaalsContact C-N 3.25Å; G200-G202 PolarHBondContact O-N 3.39Å
203	S	59.6	Low	77.1	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.021	33%	0.326	C	S	.	.			trans	-159.8	100.4	-177.6	-58.9	0	0	0	0	110.1	T75 R76 S201 I205	T75-S203 WeakPolarHBondContact CB-OG 3.48Å; R76-S203 VanDerWaalsContact CB-OG 3.25Å; R76-S203 WeakPolarHBondContact CB-OG 3.25Å; R76-S203 WeakPolarHBondContact CG-OG 3.31Å; R76-S203 PolarHBondContact N-OG 3.14Å; S201-S203 PolarHBondContact O-N 3.48Å; S201-S203 PolarHBondContact OG-O 3.36Å; S203-I205 PolarHBondContact O-N 2.87Å
204	K	67.5	Low	76.1	Confident	178 Å²	178	60 Å²	60	77%	0.774	33%	0.333	S	S	*	.			trans	-82.3	68.8	173.8	-62.7	-179	-176.7	178.3	0	109.2	L206	K204-L206 HydrophobicContact CB-CD2 4.07Å; K204-L206 HydrophobicContact CB-CG 4.28Å; K204-L206 PolarHBondContact O-N 3.25Å
205	I	77.7	Confident	75.2	Confident	32 Å²	32	60.9 Å²	60.9	16%	0.164	34%	0.339	C	S	.	.			trans	-76.8	107.3	164.7	-61.1	-64	0	0	0	106.6	F159 R162 L163 R166 S203	F159-I205 HydrophobicContact CD2-CG1 4.49Å; F159-I205 HydrophobicContact CE2-CB 4.35Å; F159-I205 HydrophobicContact CE2-CG1 3.48Å; F159-I205 VanDerWaalsContact CE2-CG1 3.48Å; F159-I205 HydrophobicContact CZ-CG1 3.83Å; R162-I205 HydrophobicContact CB-CB 4.29Å; R162-I205 HydrophobicContact CB-CG2 3.91Å; L163-I205 HydrophobicContact CD1-CD1 3.55Å; L163-I205 HydrophobicContact CD1-CG1 3.96Å; R166-I205 HydrophobicContact CB-CG2 3.86Å; R166-I205 HydrophobicContact CG-CG2 4.22Å; S203-I205 PolarHBondContact O-N 2.87Å
206	L	85.1	Confident	74.5	Confident	59 Å²	59	59.9 Å²	59.9	31%	0.309	33%	0.332	S	S	.	.			trans	-104.8	140.7	-176.4	-52.6	-173.7	0	0	0	109.9	R166 H195 K204 P208	R166-L206 VanDerWaalsContact CD-O 3.3Å; R166-L206 WeakPolarHBondContact CD-O 3.5Å; R166-L206 PolarHBondContact NH1-O 2.89Å; H195-L206 WeakPolarHBondContact O-CD2 2.99Å; K204-L206 HydrophobicContact CB-CD2 4.07Å; K204-L206 HydrophobicContact CB-CG 4.28Å; K204-L206 PolarHBondContact O-N 3.25Å; L206-P208 WeakPolarHBondContact O-CD 3.29Å
207	L	89.5	Confident	73.6	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	35%	0.346	C	S	.	.			trans	-115.7	66.4	169.9	-56.7	171.5	0	0	0	108.3	L165 R166 L176 Y193 N209 T210	L165-L207 HydrophobicContact CB-CD1 3.83Å; L165-L207 HydrophobicContact CB-CD2 4.39Å; L165-L207 HydrophobicContact CD1-CD1 4.18Å; R166-L207 VanDerWaalsContact CA-CD2 3.49Å; R166-L207 HydrophobicContact CB-CD2 3.72Å; R166-L207 HydrophobicContact CG-CD2 4.48Å; L176-L207 HydrophobicContact CD2-CB 3.86Å; L176-L207 HydrophobicContact CD2-CD1 3.63Å; L176-L207 HydrophobicContact CD2-CD2 4.18Å; L176-L207 HydrophobicContact CD2-CG 4.09Å; Y193-L207 HydrophobicContact CD1-CD1 3.78Å; Y193-L207 WeakPolarHBondContact O-CB 3.44Å; Y193-L207 PolarHBondContact O-N 3.48Å; L207-N209 PolarHBondContact O-N 3.34Å; L207-N209 VanDerWaalsContact O-N 3.11Å; L207-T210 WeakPolarHBondContact CB-OG1 3.46Å; L207-T210 WeakPolarHBondContact O-CB 3.48Å; L207-T210 PolarHBondContact O-N 2.93Å; L207-T210 PolarHBondContact O-OG1 3.31Å
208	P	86.2	Confident	73.4	Confident	60 Å²	60	65.7 Å²	65.7	39%	0.39	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.2	-169	26	-35.5	0	0	0	113.1	K194 L206 T210	K194-P208 VanDerWaalsContact CE-O 3.31Å; K194-P208 WeakPolarHBondContact CE-O 3.26Å; L206-P208 WeakPolarHBondContact O-CD 3.29Å; P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å
209	N	89	Confident	73.6	Confident	138 Å²	138	66.1 Å²	66.1	74%	0.738	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	6.9	-179.6	-60.7	-18.9	0	0	0	113.2	L207 Q211	L207-N209 PolarHBondContact O-N 3.34Å; L207-N209 VanDerWaalsContact O-N 3.11Å; N209-Q211 PolarHBondContact O-N 3.19Å
210	T	90.3	Very high	74.1	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.9	124.1	175.3	-49.1	0	0	0	0	109.6	I130 L176 A178 F190 L207 P208	I130-T210 HydrophobicContact CD1-CG2 4.24Å; L176-T210 HydrophobicContact CD2-CG2 4.34Å; L176-T210 WeakPolarHBondContact CD2-OG1 3.36Å; L176-T210 HydrophobicContact CG-CG2 4.17Å; L176-T210 WeakPolarHBondContact O-CA 3.24Å; A178-T210 HydrophobicContact CB-CG2 3.76Å; F190-T210 HydrophobicContact CD2-CG2 4.34Å; F190-T210 HydrophobicContact CE2-CG2 3.87Å; F190-T210 WeakPolarHBondContact CZ-O 3.3Å; L207-T210 WeakPolarHBondContact CB-OG1 3.46Å; L207-T210 WeakPolarHBondContact O-CB 3.48Å; L207-T210 PolarHBondContact O-N 2.93Å; L207-T210 PolarHBondContact O-OG1 3.31Å; P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å
211	Q	91.4	Very high	74.9	Confident	127 Å²	127	69.5 Å²	69.5	59%	0.593	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	176.6	-65.8	-179.3	-26.4	0	0	109.9	L176 V177 A178 N209 L213	L176-Q211 PolarHBondContact O-N 3.37Å; V177-Q211 CarbonylContact C-O 3.5Å; V177-Q211 WeakPolarHBondContact CA-O 3.35Å; A178-Q211 PolarHBondContact N-O 3.21Å; N209-Q211 PolarHBondContact O-N 3.19Å; Q211-L213 PolarHBondContact O-N 3.36Å
212	W	88.9	Confident	75.4	Confident	34 Å²	34	82.2 Å²	82.2	13%	0.129	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.5	172.6	-169.6	-14.4	0	0	0	108.9	A178 M180 I187 F190 G214 Y216	A178-W212 CarbonylContact O-C 3.59Å; A178-W212 WeakPolarHBondContact O-CA 3.01Å; A178-W212 VanDerWaalsContact O-CD1 3.29Å; M180-W212 HydrophobicContact CB-CZ2 4.45Å; I187-W212 HydrophobicContact CB-CH2 4.42Å; I187-W212 HydrophobicContact CB-CZ3 4.43Å; I187-W212 HydrophobicContact CD1-CH2 4.38Å; I187-W212 HydrophobicContact CG1-CH2 3.39Å; I187-W212 HydrophobicContact CG1-CZ3 3.65Å; F190-W212 HydrophobicContact CD1-CE3 4.09Å; F190-W212 HydrophobicContact CD2-CB 4.11Å; F190-W212 HydrophobicContact CD2-CG 4.47Å; F190-W212 HydrophobicContact CE1-CB 4.45Å; F190-W212 HydrophobicContact CE1-CE3 4.48Å; F190-W212 HydrophobicContact CE2-CB 3.77Å; F190-W212 HydrophobicContact CG-CE3 4.3Å; F190-W212 HydrophobicContact CZ-CB 3.96Å; W212-G214 PolarHBondContact NE1-O 3.18Å; W212-G214 PolarHBondContact O-N 3.39Å; W212-Y216 HydrophobicContact CB-CE1 4.42Å; W212-Y216 HydrophobicContact CD2-CE1 4.27Å; W212-Y216 HydrophobicContact CE3-CE1 4.35Å; W212-Y216 HydrophobicContact CG-CE1 4.34Å; W212-Y216 PolarHBondContact O-OH 2.94Å
213	L	82.3	Confident	76.5	Confident	94 Å²	94	85.7 Å²	85.7	49%	0.492	43%	0.426	S	S	.	.			trans	-89.3	75.8	173.6	-170.7	73.4	0	0	0	110.6	L129 V177 A178 L179 Q211	L129-L213 HydrophobicContact CD1-CD2 3.99Å; V177-L213 HydrophobicContact CG1-CB 3.33Å; V177-L213 HydrophobicContact CG1-CD1 4.1Å; V177-L213 HydrophobicContact CG1-CD2 3.88Å; V177-L213 HydrophobicContact CG1-CG 3.98Å; A178-L213 PolarHBondContact O-N 2.97Å; L179-L213 VanDerWaalsContact CD1-O 3.25Å; L179-L213 WeakPolarHBondContact CD1-O 3.46Å; Q211-L213 PolarHBondContact O-N 3.36Å
214	G	69.7	Low	77.4	Confident	15 Å²	15	90 Å²	90	16%	0.155	45%	0.448	C	S	.	.	S	Bend	trans	63	-177	159.3	0	0	0	0	0	116.9	W212	W212-G214 PolarHBondContact NE1-O 3.18Å; W212-G214 PolarHBondContact O-N 3.39Å
215	I	71.4	Confident	77.9	Confident	81 Å²	81	85.1 Å²	85.1	42%	0.415	43%	0.429	S	S	.	.			trans	55.3	57.8	-147.1	-30.3	-178.9	0	0	0	109.7	L179 A182 E219 I220	L179-I215 HydrophobicContact CD1-CD1 4.37Å; L179-I215 HydrophobicContact CD1-CG1 4.36Å; A182-I215 HydrophobicContact CB-CB 4.2Å; A182-I215 HydrophobicContact CB-CG2 3.58Å; A182-I215 WeakPolarHBondContact CB-O 3.37Å; I215-E219 WeakPolarHBondContact CA-OE2 3.35Å; I215-E219 PolarHBondContact N-OE2 3.24Å; I215-I220 HydrophobicContact CG2-CD1 3.85Å; I215-I220 HydrophobicContact CG2-CG1 3.94Å
216	Y	71.6	Confident	78	Confident	96 Å²	96	88.2 Å²	88.2	38%	0.376	45%	0.445	S	S	.	.			trans	-65.2	147.7	164.5	-65.5	-72.7	0	0	0	108.5	W212 S218 E219	W212-Y216 HydrophobicContact CB-CE1 4.42Å; W212-Y216 HydrophobicContact CD2-CE1 4.27Å; W212-Y216 HydrophobicContact CE3-CE1 4.35Å; W212-Y216 HydrophobicContact CG-CE1 4.34Å; W212-Y216 PolarHBondContact O-OH 2.94Å; Y216-S218 WeakPolarHBondContact CB-OG 3.26Å; Y216-S218 PolarHBondContact O-N 3.24Å; Y216-E219 HydrophobicContact CD2-CG 4.5Å; Y216-E219 PolarHBondContact N-OE2 3.23Å; Y216-E219 WeakPolarHBondContact O-CB 3.43Å; Y216-E219 PolarHBondContact O-N 3.29Å
217	P	64.4	Low	77.5	Confident	58 Å²	58	90.1 Å²	90.1	38%	0.377	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-53.6	-22.5	173.6	-28.5	35.5	0	0	0	113.7	I187 E219	I187-P217 HydrophobicContact CD1-CG 4.43Å; P217-E219 VanDerWaalsContact C-N 3.35Å
218	S	74.2	Confident	76.7	Confident	108 Å²	108	95.7 Å²	95.7	76%	0.755	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-75.7	-14.5	173.4	56.2	0	0	0	0	115.2	Y216	Y216-S218 WeakPolarHBondContact CB-OG 3.26Å; Y216-S218 PolarHBondContact O-N 3.24Å
219	E	69.5	Low	76	Confident	117 Å²	117	98.2 Å²	98.2	55%	0.547	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-94.3	-1.3	179.1	-64.3	174.7	153.4	0	0	112.3	I215 Y216 P217	I215-E219 WeakPolarHBondContact CA-OE2 3.35Å; I215-E219 PolarHBondContact N-OE2 3.24Å; Y216-E219 HydrophobicContact CD2-CG 4.5Å; Y216-E219 PolarHBondContact N-OE2 3.23Å; Y216-E219 WeakPolarHBondContact O-CB 3.43Å; Y216-E219 PolarHBondContact O-N 3.29Å; P217-E219 VanDerWaalsContact C-N 3.35Å
220	I	67.8	Low	75	Confident	60 Å²	60	95.2 Å²	95.2	31%	0.308	47%	0.469	S	S	.	.			trans	-101.5	113.8	176.3	-59.8	-175.7	0	0	0	108.9	A182 I215	A182-I220 HydrophobicContact CB-CD1 3.35Å; A182-I220 HydrophobicContact CB-CG1 4.29Å; I215-I220 HydrophobicContact CG2-CD1 3.85Å; I215-I220 HydrophobicContact CG2-CG1 3.94Å
221	D	71.1	Confident	73.8	Confident	162 Å²	162	102.9 Å²	102.9	87%	0.866	51%	0.507	S	S	*	.			trans	-73.6	121.5	164.3	-67.4	-32.5	0	0	0	108.5
222	W	63.1	Low	72.2	Confident	283 Å²	283	100.7 Å²	100.7	100%	1.072	50%	0.499	S	S	*	.			trans	-84.4	0	175.6	-66.5	94.8	0	0	0	112.2

Retrieved 222 of 222 residues in 152.3 ms (Link to these results)

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