A0A087WSY5_HUMAN Loading...

Carboxypeptidase B2

Cleaves C-terminal arginine or lysine residues from biologically active peptides such as kinins or anaphylatoxins in the circulation thereby regulating their activities. Down-regulates fibrinolysis by removing C-terminal lysine residues from fibrin that has already been partially degraded by plasmin.

AlphaFold DB , UniProt , Accession A0A087WSY5, Species HUMAN (Homo sapiens, Human), Gene CPB2, Length 386 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	37	Very low	196 Å²	196	50.3 Å²	50.3	97%	0.966	26%	0.261	S	S	*	.				0	140.8	0	-68.6	167.8	-77.3	0	0	107.4	F372	M1-F372 HydrophobicContact CE-CE1 4.26Å
2	K	26.6	Very low	37	Very low	170 Å²	170	46.3 Å²	46.3	74%	0.739	24%	0.24	S	C	*	.			trans	-102.4	111.5	-177.1	-82.9	-172.7	173.9	-173.9	0	110.8	C4	K2-C4 PolarHBondContact O-N 3.17Å
3	L	36.1	Very low	37	Very low	55 Å²	55	42.9 Å²	42.9	29%	0.288	22%	0.223	S	C	.	.			trans	-85.2	23.7	172.5	-93.2	157.6	0	0	0	112.6	S5 L6 F372 A379	L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 2.75Å; L3-S5 VanDerWaalsContact O-N 3.11Å; L3-L6 PolarHBondContact O-N 3.26Å; L3-F372 HydrophobicContact CD1-CE2 4.45Å; L3-A379 HydrophobicContact CD2-CB 4.27Å
4	C	35.8	Very low	36.8	Very low	33 Å²	33	41.4 Å²	41.4	22%	0.223	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	-164.4	-63.5	0	0	0	0	115.1	K2 L6 K171	K2-C4 PolarHBondContact O-N 3.17Å; C4-L6 VanDerWaalsContact C-N 3.3Å; C4-L6 PolarHBondContact O-N 2.65Å; C4-K171 WeakPolarHBondContact O-CE 2.73Å; C4-K171 PolarHBondContact O-NZ 2.92Å
5	S	32	Very low	36.9	Very low	67 Å²	67	40.6 Å²	40.6	47%	0.469	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.8	-173.7	-45.2	0	0	0	0	115.4	L3	L3-S5 VanDerWaalsContact C-N 3.26Å; L3-S5 PolarHBondContact O-N 2.75Å; L3-S5 VanDerWaalsContact O-N 3.11Å
6	L	33.4	Very low	36.4	Very low	11 Å²	11	40.8 Å²	40.8	6%	0.058	21%	0.214	C	C	.	.			trans	-126.3	155.4	-177.3	-63.3	177.7	0	0	0	111.6	L3 C4 N172 I174 I383	L3-L6 PolarHBondContact O-N 3.26Å; C4-L6 VanDerWaalsContact C-N 3.3Å; C4-L6 PolarHBondContact O-N 2.65Å; L6-N172 WeakPolarHBondContact CA-O 3.42Å; L6-N172 HydrophobicContact CD2-CB 3.56Å; L6-N172 VanDerWaalsContact CD2-O 3.3Å; L6-N172 WeakPolarHBondContact CD2-O 3.31Å; L6-I174 HydrophobicContact CD1-CD1 3.58Å; L6-I174 HydrophobicContact CD1-CG1 3.9Å; L6-I383 HydrophobicContact CD1-CD1 3.79Å; L6-I383 HydrophobicContact CD1-CG1 3.5Å; L6-I383 VanDerWaalsContact CD1-CG1 3.5Å; L6-I383 HydrophobicContact CD2-CG1 4.37Å; L6-I383 HydrophobicContact CG-CD1 4.1Å; L6-I383 HydrophobicContact CG-CG1 3.86Å
7	A	33.2	Very low	36.2	Very low	3 Å²	3	47.5 Å²	47.5	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	149.2	155.7	0	0	0	0	0	109.3	V163 N172 A173 I174	A7-V163 WeakPolarHBondContact CA-O 3.5Å; A7-N172 PolarHBondContact N-O 3Å; A7-A173 HydrophobicContact CB-CB 4.4Å; A7-A173 VanDerWaalsContact O-CA 3.24Å; A7-A173 WeakPolarHBondContact O-CA 3.35Å; A7-I174 PolarHBondContact O-N 3.44Å
8	V	55.4	Low	35.9	Very low	11 Å²	11	54.6 Å²	54.6	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.5	168.3	-173.8	0	0	0	0	109	V10 K162 V163 I174 I176 F194	V8-V10 HydrophobicContact CG1-CG2 4.11Å; V8-K162 CarbonylContact O-C 3.56Å; V8-K162 WeakPolarHBondContact O-CA 3.47Å; V8-V163 PolarHBondContact N-O 3.37Å; V8-V163 PolarHBondContact O-N 2.7Å; V8-I174 WeakPolarHBondContact CA-O 3.45Å; V8-I176 HydrophobicContact CG1-CD1 3.69Å; V8-I176 HydrophobicContact CG1-CG1 3.91Å; V8-F194 HydrophobicContact CB-CD1 4.37Å; V8-F194 HydrophobicContact CB-CE1 3.47Å; V8-F194 VanDerWaalsContact CB-CE1 3.47Å; V8-F194 HydrophobicContact CB-CE2 4.39Å; V8-F194 HydrophobicContact CB-CZ 3.52Å; V8-F194 HydrophobicContact CG1-CD1 4.06Å; V8-F194 HydrophobicContact CG1-CD2 4.36Å; V8-F194 HydrophobicContact CG1-CE1 3.53Å; V8-F194 HydrophobicContact CG1-CE2 3.85Å; V8-F194 HydrophobicContact CG1-CZ 3.45Å; V8-F194 VanDerWaalsContact CG1-CZ 3.45Å; V8-F194 HydrophobicContact CG2-CE1 4.05Å; V8-F194 HydrophobicContact CG2-CE2 4.45Å; V8-F194 HydrophobicContact CG2-CZ 3.61Å
9	L	42.6	Very low	35.7	Very low	6 Å²	6	59.9 Å²	59.9	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.3	-174	-70.2	162.6	0	0	0	108.6	I147 V160 K162 A173 I174 W175 I176 F258	L9-I147 HydrophobicContact CD2-CD1 4.35Å; L9-V160 HydrophobicContact CB-CG1 4.16Å; L9-V160 HydrophobicContact CD2-CG1 3.91Å; L9-K162 HydrophobicContact CD2-CB 3.63Å; L9-K162 HydrophobicContact CD2-CD 4.41Å; L9-K162 HydrophobicContact CD2-CG 3.77Å; L9-A173 HydrophobicContact CD1-CB 4.03Å; L9-I174 PolarHBondContact N-O 2.85Å; L9-W175 HydrophobicContact CB-CE3 3.73Å; L9-W175 HydrophobicContact CB-CZ3 4.29Å; L9-W175 WeakPolarHBondContact O-CA 3.42Å; L9-I176 PolarHBondContact O-N 3.21Å; L9-F258 HydrophobicContact CD1-CE1 4.03Å; L9-F258 HydrophobicContact CD1-CZ 4.2Å; L9-F258 HydrophobicContact CD2-CE1 4.42Å; L9-F258 HydrophobicContact CD2-CZ 4.05Å
10	V	46.6	Very low	35.4	Very low	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	104.9	-173.1	175.6	0	0	0	0	110.3	V8 V160 L161 I176 C178 F194 I195 N198	V8-V10 HydrophobicContact CG1-CG2 4.11Å; V10-V160 CarbonylContact O-C 3.58Å; V10-V160 VanDerWaalsContact O-CA 3.26Å; V10-V160 WeakPolarHBondContact O-CA 3.27Å; V10-L161 PolarHBondContact N-O 2.92Å; V10-L161 PolarHBondContact O-N 3.2Å; V10-I176 WeakPolarHBondContact CA-O 3.49Å; V10-I176 HydrophobicContact CG2-CB 4.49Å; V10-C178 VanDerWaalsContact CG1-SG 3.57Å; V10-F194 HydrophobicContact CG1-CB 4.44Å; V10-F194 HydrophobicContact CG2-CB 3.82Å; V10-F194 HydrophobicContact CG2-CD1 3.5Å; V10-F194 VanDerWaalsContact CG2-CD1 3.5Å; V10-F194 HydrophobicContact CG2-CD2 4.4Å; V10-F194 HydrophobicContact CG2-CE1 4.41Å; V10-F194 HydrophobicContact CG2-CG 3.59Å; V10-I195 HydrophobicContact CB-CD1 4.44Å; V10-I195 HydrophobicContact CG1-CD1 4.13Å; V10-N198 WeakPolarHBondContact CG1-ND2 3.43Å
11	P	33.7	Very low	35.5	Very low	1 Å²	1	68.3 Å²	68.3	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.8	163.8	32.9	-39	0	0	0	110.6	V13 Y159 V160 W175 I176 D177 C178	P11-V13 HydrophobicContact CB-CG2 4.4Å; P11-Y159 CarbonylContact C-O 3.58Å; P11-Y159 VanDerWaalsContact CA-O 3.25Å; P11-Y159 WeakPolarHBondContact CA-O 3.4Å; P11-V160 HydrophobicContact CB-CG2 3.82Å; P11-W175 HydrophobicContact CB-CH2 3.95Å; P11-W175 HydrophobicContact CB-CZ2 4.08Å; P11-W175 VanDerWaalsContact CD-CZ2 3.49Å; P11-W175 HydrophobicContact CG-CH2 3.68Å; P11-W175 HydrophobicContact CG-CZ2 3.36Å; P11-W175 HydrophobicContact CG-CZ3 4.48Å; P11-I176 WeakPolarHBondContact CD-O 3.25Å; P11-D177 HydrophobicContact CG-CB 3.45Å; P11-D177 VanDerWaalsContact CG-CB 3.45Å; P11-C178 WeakPolarHBondContact O-CB 3.1Å; P11-C178 PolarHBondContact O-N 3Å; P11-C178 PolarHBondContact O-SG 3.42Å; P11-C178 VanDerWaalsContact O-SG 3.34Å
12	I	37.6	Very low	35.9	Very low	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	99.5	162.9	-63	174.6	0	0	0	105.6	L14 I129 W132 I133 Y159 L161 I195	I12-L14 HydrophobicContact CG2-CD1 3.74Å; I12-I129 HydrophobicContact CG2-CG2 3.72Å; I12-W132 HydrophobicContact CD1-CH2 4.41Å; I12-W132 HydrophobicContact CD1-CZ3 3.65Å; I12-I133 HydrophobicContact CB-CD1 3.97Å; I12-I133 HydrophobicContact CD1-CD1 3.73Å; I12-I133 HydrophobicContact CD1-CG1 3.79Å; I12-I133 HydrophobicContact CG1-CD1 4.4Å; I12-I133 HydrophobicContact CG2-CD1 3.99Å; I12-Y159 PolarHBondContact N-O 3.22Å; I12-L161 HydrophobicContact CD1-CD1 4.22Å; I12-L161 HydrophobicContact CD1-CG 4.49Å; I12-I195 HydrophobicContact CD1-CD1 4.42Å
13	V	36.6	Very low	37.1	Very low	3 Å²	3	59.4 Å²	59.4	2%	0.018	32%	0.318	C	S	.	.			trans	-100	136	168	-176.3	0	0	0	0	106.5	P11 F15 L158 G179 E251	P11-V13 HydrophobicContact CB-CG2 4.4Å; V13-F15 HydrophobicContact CG1-CE2 4.03Å; V13-F15 HydrophobicContact CG1-CZ 4.15Å; V13-L158 HydrophobicContact CG1-CD2 4.04Å; V13-L158 HydrophobicContact CG2-CD2 4.2Å; V13-G179 CarbonylContact C-O 3.48Å; V13-G179 WeakPolarHBondContact CB-O 3.46Å; V13-G179 WeakPolarHBondContact CG1-O 3.08Å; V13-G179 CarbonylContact O-C 3.46Å; V13-G179 WeakPolarHBondContact O-CA 3.4Å; V13-E251 HydrophobicContact CG1-CG 4.33Å
14	L	35.1	Very low	38.7	Very low	21 Å²	21	62 Å²	62	11%	0.11	33%	0.329	C	S	.	.			trans	-163.1	161.9	-175.3	-101.1	161.6	0	0	0	108.2	I12 L126 I129 P188	I12-L14 HydrophobicContact CG2-CD1 3.74Å; L14-L126 HydrophobicContact CB-CB 4.13Å; L14-L126 HydrophobicContact CB-CD1 3.27Å; L14-L126 HydrophobicContact CB-CD2 4.44Å; L14-L126 HydrophobicContact CB-CG 4.1Å; L14-L126 HydrophobicContact CD1-CD1 4.11Å; L14-L126 HydrophobicContact CG-CD1 4.31Å; L14-L126 WeakPolarHBondContact O-CD2 3.45Å; L14-I129 HydrophobicContact CD1-CB 3.79Å; L14-I129 HydrophobicContact CD1-CD1 3.37Å; L14-I129 HydrophobicContact CD1-CG1 4.12Å; L14-I129 HydrophobicContact CD1-CG2 3.46Å; L14-I129 VanDerWaalsContact CD1-CG2 3.46Å; L14-P188 HydrophobicContact CD1-CB 4.25Å; L14-P188 HydrophobicContact CD2-CB 3.96Å; L14-P188 HydrophobicContact CD2-CG 3.54Å; L14-P188 HydrophobicContact CG-CB 4.36Å; L14-P188 HydrophobicContact CG-CG 4.13Å
15	F	38.4	Very low	41.1	Very low	30 Å²	30	62.4 Å²	62.4	13%	0.132	33%	0.332	C	S	.	.			trans	-132.1	153.4	-177.5	-61.3	-84.1	0	0	0	110.2	V13 L126 N204 R205	V13-F15 HydrophobicContact CG1-CE2 4.03Å; V13-F15 HydrophobicContact CG1-CZ 4.15Å; F15-L126 WeakPolarHBondContact O-CB 3.48Å; F15-N204 HydrophobicContact CZ-CB 4.16Å; F15-R205 HydrophobicContact CB-CG 4.39Å; F15-R205 HydrophobicContact CD1-CB 3.96Å; F15-R205 HydrophobicContact CD1-CG 3.5Å; F15-R205 HydrophobicContact CD2-CG 4.24Å; F15-R205 HydrophobicContact CE1-CB 3.82Å; F15-R205 HydrophobicContact CE1-CG 3.76Å; F15-R205 HydrophobicContact CE2-CG 4.47Å; F15-R205 HydrophobicContact CG-CG 3.77Å; F15-R205 HydrophobicContact CZ-CB 4.44Å; F15-R205 HydrophobicContact CZ-CG 4.25Å
16	C	28.6	Very low	44	Very low	43 Å²	43	59.6 Å²	59.6	29%	0.291	31%	0.314	S	S	.	.			trans	-123.4	135.9	179.8	-169.2	0	0	0	0	109.1	L126 Y156	C16-L126 HydrophobicContact CB-CB 4.09Å; C16-L126 HydrophobicContact CB-CD2 3.98Å; C16-Y156 HydrophobicContact CB-CE2 4.31Å
17	E	33.2	Very low	47	Very low	155 Å²	155	60.7 Å²	60.7	72%	0.724	32%	0.319	S	S	*	.			trans	-91.2	133.1	171.6	-66	-168.2	123.8	0	0	110.9
18	Q	30	Very low	50	Low	176 Å²	176	60.6 Å²	60.6	82%	0.822	32%	0.318	S	S	*	.			trans	-130.7	48.9	160.7	-76.9	-156.9	-24.3	0	0	111.4
19	H	32	Very low	52	Low	156 Å²	156	60 Å²	60	72%	0.722	31%	0.314	S	S	*	.	S	Bend	trans	-130.3	133.3	159.4	-78.5	-65.3	0	0	0	109.7	F21	H19-F21 PolarHBondContact O-N 3.21Å
20	V	30.9	Very low	54.6	Low	154 Å²	154	59.9 Å²	59.9	93%	0.933	31%	0.314	S	S	*	.			trans	-76.3	81	175.2	-175	0	0	0	0	108.3
21	F	37.3	Very low	57.1	Low	141 Å²	141	59.9 Å²	59.9	62%	0.618	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-63.8	138.9	152.7	-84.5	-85.9	0	0	0	108	H19 F23	H19-F21 PolarHBondContact O-N 3.21Å; F21-F23 PolarHBondContact O-N 3.37Å
22	A	38.4	Very low	60.1	Low	89 Å²	89	62.2 Å²	62.2	74%	0.736	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-58.8	134.7	159.7	0	0	0	0	0	107.4	Q24	A22-Q24 PolarHBondContact O-N 2.83Å
23	F	52.9	Low	62.9	Low	90 Å²	90	62.1 Å²	62.1	40%	0.395	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.9	143.2	-179.1	-72.2	-85.3	0	0	0	109.9	F21 S25 E99 I102 Q103 I106	F21-F23 PolarHBondContact O-N 3.37Å; F23-S25 PolarHBondContact O-N 3.08Å; F23-E99 HydrophobicContact CB-CG 3.93Å; F23-I102 HydrophobicContact CD1-CG2 3.82Å; F23-I102 HydrophobicContact CE1-CG2 4.08Å; F23-Q103 VanDerWaalsContact CD1-NE2 3.33Å; F23-I106 HydrophobicContact CE1-CD1 3.74Å; F23-I106 HydrophobicContact CZ-CD1 3.81Å
24	Q	68.5	Low	65.7	Low	109 Å²	109	69.7 Å²	69.7	51%	0.509	35%	0.354	S	S	.	.			trans	-76	74.2	-168.8	-69.7	174.3	-6.5	0	0	110.9	A22 F71 V98	A22-Q24 PolarHBondContact O-N 2.83Å; Q24-F71 HydrophobicContact CB-CE2 4.5Å; Q24-F71 HydrophobicContact CB-CZ 3.96Å; Q24-F71 WeakPolarHBondContact O-CE2 3.43Å; Q24-V98 WeakPolarHBondContact O-CG1 3.27Å
25	S	85.9	Confident	68.7	Low	42 Å²	42	72 Å²	72	29%	0.294	37%	0.369	S	S	.	.			trans	-60.5	139.1	170.2	58.9	0	0	0	0	110.2	F23 N73 A74	F23-S25 PolarHBondContact O-N 3.08Å; S25-N73 PolarHBondContact O-OD1 3.22Å; S25-N73 VanDerWaalsContact O-OD1 3.08Å; S25-A74 WeakPolarHBondContact O-CB 3.45Å; S25-A74 PolarHBondContact O-N 2.93Å
26	G	92.8	Very high	71.5	Confident	9 Å²	9	74.5 Å²	74.5	9%	0.093	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-167.6	-170.4	0	0	0	0	0	112.1	V72 V98	G26-V72 VanDerWaalsContact CA-O 3.26Å; G26-V72 WeakPolarHBondContact CA-O 3.26Å; G26-V98 WeakPolarHBondContact O-CG2 3.37Å; G26-V98 PolarHBondContact O-N 2.87Å
27	Q	96.8	Very high	74.8	Confident	34 Å²	34	81.8 Å²	81.8	16%	0.159	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.1	-176.7	-63	-163.9	-31.5	0	0	111.5	L29 F71 V72 V77 K81 L95 A96	Q27-L29 HydrophobicContact CB-CD2 4.14Å; Q27-F71 CarbonylContact O-C 3.57Å; Q27-F71 WeakPolarHBondContact O-CA 3.43Å; Q27-V72 PolarHBondContact N-O 3.01Å; Q27-V72 VanDerWaalsContact N-O 3.08Å; Q27-V72 PolarHBondContact O-N 3.24Å; Q27-V77 HydrophobicContact CB-CG2 4.16Å; Q27-V77 HydrophobicContact CG-CG1 4.2Å; Q27-V77 HydrophobicContact CG-CG2 4.13Å; Q27-K81 VanDerWaalsContact OE1-CE 3.27Å; Q27-L95 WeakPolarHBondContact CA-O 3.27Å; Q27-L95 WeakPolarHBondContact CB-O 3.37Å; Q27-A96 WeakPolarHBondContact CG-O 3.45Å; Q27-A96 PolarHBondContact NE2-O 3.2Å
28	V	95.9	Very high	77.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.3	167.2	-175.4	0	0	0	0	108.5	W54 F70 F71 L94 L95 V98	V28-W54 HydrophobicContact CG1-CD2 4.1Å; V28-W54 HydrophobicContact CG1-CE3 3.88Å; V28-W54 HydrophobicContact CG1-CH2 4.34Å; V28-W54 HydrophobicContact CG1-CZ3 3.98Å; V28-W54 HydrophobicContact CG2-CH2 3.7Å; V28-W54 HydrophobicContact CG2-CZ2 3.58Å; V28-W54 HydrophobicContact CG2-CZ3 4.2Å; V28-F70 CarbonylContact C-O 3Å; V28-F70 WeakPolarHBondContact CA-O 3.31Å; V28-F71 HydrophobicContact CG2-CB 4.36Å; V28-F71 HydrophobicContact CG2-CD2 4.45Å; V28-L94 HydrophobicContact CB-CB 4.41Å; V28-L94 HydrophobicContact CG1-CB 4.29Å; V28-L94 HydrophobicContact CG1-CD1 3.94Å; V28-L94 WeakPolarHBondContact O-CB 3.49Å; V28-L94 PolarHBondContact O-N 3.3Å; V28-L95 HydrophobicContact CB-CB 4.01Å; V28-L95 HydrophobicContact CB-CD1 4.28Å; V28-L95 HydrophobicContact CB-CG 4.22Å; V28-L95 HydrophobicContact CG2-CB 4.19Å; V28-L95 HydrophobicContact CG2-CD1 3.98Å; V28-L95 HydrophobicContact CG2-CG 4.41Å; V28-L95 PolarHBondContact N-O 3.16Å; V28-L95 PolarHBondContact O-N 3.34Å; V28-V98 HydrophobicContact CG2-CG2 3.89Å
29	L	98	Very high	81.1	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.4	-178.8	-54.6	-174.5	0	0	0	110.5	Q27 H69 F70 V72 V80 K81 S92 V93	Q27-L29 HydrophobicContact CB-CD2 4.14Å; L29-H69 WeakPolarHBondContact O-CA 3.25Å; L29-F70 HydrophobicContact CB-CD2 4.36Å; L29-F70 HydrophobicContact CB-CE1 4.1Å; L29-F70 HydrophobicContact CB-CE2 3.87Å; L29-F70 HydrophobicContact CB-CZ 3.72Å; L29-F70 HydrophobicContact CD1-CE2 3.95Å; L29-F70 HydrophobicContact CD1-CZ 4.2Å; L29-F70 HydrophobicContact CG-CE2 4.33Å; L29-F70 PolarHBondContact N-O 3.04Å; L29-F70 PolarHBondContact O-N 3.05Å; L29-V72 HydrophobicContact CD1-CG2 3.82Å; L29-V72 HydrophobicContact CG-CG2 4.18Å; L29-V80 HydrophobicContact CD1-CG1 4.29Å; L29-K81 HydrophobicContact CD1-CG 4.43Å; L29-S92 WeakPolarHBondContact CA-O 3.46Å; L29-V93 HydrophobicContact CD2-CB 4.23Å; L29-V93 HydrophobicContact CD2-CG1 4.37Å; L29-V93 HydrophobicContact CD2-CG2 3.8Å
30	A	98.1	Very high	84.3	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133	167.2	0	0	0	0	0	110.7	V68 C91 S92 L94	A30-V68 CarbonylContact C-O 3.33Å; A30-V68 VanDerWaalsContact CA-O 3.31Å; A30-V68 WeakPolarHBondContact CA-O 3.37Å; A30-C91 CarbonylContact O-C 3.57Å; A30-C91 VanDerWaalsContact O-CA 3.31Å; A30-C91 WeakPolarHBondContact O-CA 3.35Å; A30-S92 PolarHBondContact N-O 3.44Å; A30-S92 PolarHBondContact O-N 3.25Å; A30-L94 HydrophobicContact CB-CD1 3.73Å; A30-L94 HydrophobicContact CB-CD2 3.97Å; A30-L94 HydrophobicContact CB-CG 3.78Å
31	A	97.6	Very high	87.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.6	175	0	0	0	0	0	111.4	L42 V68 F70 I89 P90	A31-L42 HydrophobicContact CB-CD1 4.13Å; A31-L42 HydrophobicContact CB-CD2 3.91Å; A31-V68 PolarHBondContact N-O 3.02Å; A31-V68 PolarHBondContact O-N 2.66Å; A31-F70 HydrophobicContact CB-CE1 3.96Å; A31-I89 HydrophobicContact CB-CG2 3.98Å; A31-P90 WeakPolarHBondContact CA-O 3.42Å
32	L	96.7	Very high	90.3	Very high	49 Å²	49	53.9 Å²	53.9	26%	0.257	28%	0.276	S	S	.	.			trans	-125.1	91.7	178.6	-178.4	56.9	0	0	0	111.5	R34 K66 Q67 P90	L32-R34 PolarHBondContact O-N 3.46Å; L32-K66 WeakPolarHBondContact CD1-O 3.3Å; L32-Q67 HydrophobicContact CD1-CG 4.27Å; L32-P90 PolarHBondContact N-O 3.19Å
33	P	96.9	Very high	93.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.			trans	-68.2	128	177.5	29.6	-34.8	0	0	0	110.5	Q38 V39 L42 I62 K64 K65 K66 V68	P33-Q38 HydrophobicContact CB-CB 3.91Å; P33-V39 HydrophobicContact CB-CG2 3.96Å; P33-V39 HydrophobicContact CG-CG2 4.19Å; P33-L42 HydrophobicContact CB-CD1 3.79Å; P33-L42 HydrophobicContact CG-CD1 3.66Å; P33-I62 HydrophobicContact CG-CG2 4.2Å; P33-K64 CarbonylContact O-C 3.56Å; P33-K64 WeakPolarHBondContact O-CA 3.41Å; P33-K65 PolarHBondContact O-N 3.08Å; P33-K66 WeakPolarHBondContact CD-O 3.32Å; P33-V68 HydrophobicContact CG-CG2 4.29Å
34	R	96.9	Very high	95.2	Very high	163 Å²	163	52.2 Å²	52.2	62%	0.615	26%	0.257	S	S	*	.			trans	-103.7	-22.2	-179.7	-60.8	-173.9	179.3	-163.5	-0.4	113.2	L32	L32-R34 PolarHBondContact O-N 3.46Å
35	T	97.7	Very high	96.6	Very high	70 Å²	70	47.2 Å²	47.2	43%	0.429	23%	0.234	S	C	.	.	S	Bend	trans	-124.2	160.9	-179.9	73.3	0	0	0	0	111.7	R37 Q38 V39	T35-R37 PolarHBondContact O-N 3.34Å; T35-Q38 PolarHBondContact O-N 2.86Å; T35-Q38 VanDerWaalsContact O-N 3.07Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.39Å; T35-Q38 PolarHBondContact OG1-N 2.96Å; T35-V39 PolarHBondContact O-N 3.28Å; T35-V39 VanDerWaalsContact O-N 3.1Å
36	S	97.4	Very high	96.9	Very high	81 Å²	81	46.6 Å²	46.6	57%	0.566	23%	0.228	S	C	*	.	H	α-helix	trans	-61.6	-31.5	176.6	-47.1	0	0	0	0	112.9	Q38 V39 Q40	S36-Q38 VanDerWaalsContact C-N 3.34Å; S36-V39 WeakPolarHBondContact O-CB 3.35Å; S36-V39 PolarHBondContact O-N 2.97Å; S36-Q40 WeakPolarHBondContact O-CG 3.25Å; S36-Q40 PolarHBondContact O-N 3.22Å
37	R	97.6	Very high	96.9	Very high	196 Å²	196	51.4 Å²	51.4	74%	0.74	26%	0.256	S	S	*	.	H	α-helix	trans	-64.9	-37.7	173.3	-175.7	177.5	175.5	-172.3	-2.3	111.7	T35 Q40 V41	T35-R37 PolarHBondContact O-N 3.34Å; R37-Q40 PolarHBondContact O-N 3.21Å; R37-V41 WeakPolarHBondContact O-CG2 3.47Å; R37-V41 PolarHBondContact O-N 2.67Å
38	Q	98	Very high	96.8	Very high	27 Å²	27	53.4 Å²	53.4	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-72.2	-30.5	176.5	-69.2	-179.3	-34.7	0	0	112.6	P33 T35 S36 L42 G88 I89	P33-Q38 HydrophobicContact CB-CB 3.91Å; T35-Q38 PolarHBondContact O-N 2.86Å; T35-Q38 VanDerWaalsContact O-N 3.07Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.39Å; T35-Q38 PolarHBondContact OG1-N 2.96Å; S36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 3Å; Q38-L42 VanDerWaalsContact O-N 3.11Å; Q38-G88 PolarHBondContact NE2-O 3.3Å; Q38-I89 HydrophobicContact CB-CD1 3.99Å; Q38-I89 HydrophobicContact CB-CG1 4Å; Q38-I89 HydrophobicContact CG-CD1 4.12Å; Q38-I89 HydrophobicContact CG-CG1 3.71Å
39	V	97.7	Very high	96.8	Very high	16 Å²	16	56 Å²	56	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-51.1	168	166.9	0	0	0	0	110.3	P33 T35 S36 V41 L42 Q43 I62 K64	P33-V39 HydrophobicContact CB-CG2 3.96Å; P33-V39 HydrophobicContact CG-CG2 4.19Å; T35-V39 PolarHBondContact O-N 3.28Å; T35-V39 VanDerWaalsContact O-N 3.1Å; S36-V39 WeakPolarHBondContact O-CB 3.35Å; S36-V39 PolarHBondContact O-N 2.97Å; V39-V41 VanDerWaalsContact C-N 3.31Å; V39-V41 PolarHBondContact O-N 3.08Å; V39-L42 PolarHBondContact O-N 2.87Å; V39-Q43 HydrophobicContact CG1-CG 4.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.32Å; V39-Q43 PolarHBondContact O-N 3.16Å; V39-I62 HydrophobicContact CB-CG2 4.45Å; V39-I62 HydrophobicContact CG1-CB 4.44Å; V39-I62 HydrophobicContact CG1-CG2 4.08Å; V39-I62 WeakPolarHBondContact CG1-O 3.47Å; V39-I62 HydrophobicContact CG2-CG2 4.31Å; V39-K64 HydrophobicContact CG2-CB 4.43Å
40	Q	97.6	Very high	96.5	Very high	124 Å²	124	61.4 Å²	61.4	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-60.1	-36.9	178.6	-71.2	171.7	-40	0	0	113.1	S36 R37 N44	S36-Q40 WeakPolarHBondContact O-CG 3.25Å; S36-Q40 PolarHBondContact O-N 3.22Å; R37-Q40 PolarHBondContact O-N 3.21Å; Q40-N44 WeakPolarHBondContact O-CB 3.4Å; Q40-N44 PolarHBondContact O-N 3.35Å
41	V	98	Very high	96.2	Very high	26 Å²	26	62.4 Å²	62.4	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-51.9	173.1	169.1	0	0	0	0	110.9	R37 V39 Q43 N44 L45 I89	R37-V41 WeakPolarHBondContact O-CG2 3.47Å; R37-V41 PolarHBondContact O-N 2.67Å; V39-V41 VanDerWaalsContact C-N 3.31Å; V39-V41 PolarHBondContact O-N 3.08Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 2.83Å; V41-N44 PolarHBondContact O-N 2.64Å; V41-N44 VanDerWaalsContact O-N 3.13Å; V41-L45 HydrophobicContact CG1-CD1 4.35Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.46Å; V41-I89 HydrophobicContact CB-CD1 3.88Å; V41-I89 HydrophobicContact CG1-CD1 3.61Å
42	L	97.7	Very high	95.9	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-38.8	179.4	-69.2	178.5	0	0	0	112.3	A31 P33 Q38 V39 L45 T46 I62 V68 L84 I89	A31-L42 HydrophobicContact CB-CD1 4.13Å; A31-L42 HydrophobicContact CB-CD2 3.91Å; P33-L42 HydrophobicContact CB-CD1 3.79Å; P33-L42 HydrophobicContact CG-CD1 3.66Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 3Å; Q38-L42 VanDerWaalsContact O-N 3.11Å; V39-L42 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD2-CD1 4.14Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-T46 PolarHBondContact O-N 3.22Å; L42-I62 HydrophobicContact CB-CD1 4.19Å; L42-I62 HydrophobicContact CB-CG2 4.4Å; L42-I62 HydrophobicContact CD1-CG2 4.36Å; L42-V68 HydrophobicContact CD1-CB 4.26Å; L42-V68 HydrophobicContact CD1-CG2 3.86Å; L42-L84 HydrophobicContact CD2-CD2 3.49Å; L42-L84 VanDerWaalsContact CD2-CD2 3.49Å; L42-I89 HydrophobicContact CD2-CD1 4.29Å; L42-I89 HydrophobicContact CD2-CG2 4.42Å; L42-I89 HydrophobicContact CG-CD1 4.22Å
43	Q	97.3	Very high	95.7	Very high	53 Å²	53	63.7 Å²	63.7	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-48.7	173.5	-73.5	171.8	-30.8	0	0	111.5	V39 V41 L45 T46 A59 I62	V39-Q43 HydrophobicContact CG1-CG 4.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.32Å; V39-Q43 PolarHBondContact O-N 3.16Å; V41-Q43 VanDerWaalsContact C-N 3.28Å; V41-Q43 PolarHBondContact O-N 2.83Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.15Å; Q43-T46 PolarHBondContact O-N 2.81Å; Q43-T46 PolarHBondContact O-OG1 2.79Å; Q43-A59 HydrophobicContact CG-CB 4.27Å; Q43-A59 VanDerWaalsContact CG-O 3.26Å; Q43-A59 WeakPolarHBondContact CG-O 3.39Å; Q43-A59 PolarHBondContact NE2-O 3.43Å; Q43-I62 HydrophobicContact CG-CB 4.31Å; Q43-I62 HydrophobicContact CG-CD1 4.15Å
44	N	97.3	Very high	95.4	Very high	91 Å²	91	65 Å²	65	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-33.4	179.1	-165.4	24.4	0	0	0	112.9	Q40 V41 T46 T47 T48	Q40-N44 WeakPolarHBondContact O-CB 3.4Å; Q40-N44 PolarHBondContact O-N 3.35Å; V41-N44 PolarHBondContact O-N 2.64Å; V41-N44 VanDerWaalsContact O-N 3.13Å; N44-T46 VanDerWaalsContact C-N 3.31Å; N44-T46 PolarHBondContact O-N 3.42Å; N44-T47 PolarHBondContact O-N 2.85Å; N44-T47 PolarHBondContact O-OG1 2.95Å; N44-T47 VanDerWaalsContact O-OG1 3.04Å; N44-T48 VanDerWaalsContact O-CB 3.31Å; N44-T48 WeakPolarHBondContact O-CB 3.21Å; N44-T48 PolarHBondContact O-N 3.43Å; N44-T48 PolarHBondContact O-OG1 3.03Å; N44-T48 PolarHBondContact OD1-OG1 3Å
45	L	97.1	Very high	95	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-43.9	173.6	-68.6	178.5	0	0	0	111.2	V41 L42 Q43 T47 T48 Y49 I51 V80 H83 L84	V41-L45 HydrophobicContact CG1-CD1 4.35Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.46Å; L42-L45 HydrophobicContact CD2-CD1 4.14Å; L42-L45 PolarHBondContact O-N 2.96Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-L45 PolarHBondContact O-N 3.15Å; L45-T47 PolarHBondContact O-N 2.58Å; L45-T47 VanDerWaalsContact O-N 3.15Å; L45-T48 PolarHBondContact O-N 2.95Å; L45-T48 VanDerWaalsContact O-N 3.11Å; L45-Y49 HydrophobicContact CB-CD2 4.46Å; L45-Y49 HydrophobicContact CD2-CD2 3.7Å; L45-Y49 HydrophobicContact CD2-CE2 3.45Å; L45-Y49 VanDerWaalsContact CD2-CE2 3.45Å; L45-Y49 PolarHBondContact O-N 2.9Å; L45-Y49 VanDerWaalsContact O-N 3.09Å; L45-I51 HydrophobicContact CB-CD1 4.03Å; L45-V80 HydrophobicContact CD1-CG1 4.48Å; L45-H83 HydrophobicContact CD2-CB 3.97Å; L45-L84 HydrophobicContact CD1-CD2 3.53Å; L45-L84 HydrophobicContact CD1-CG 3.82Å
46	T	92.4	Very high	94.8	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-11.8	179.6	60.8	0	0	0	0	114.7	L42 Q43 N44 I51 L53 A59	L42-T46 PolarHBondContact O-N 3.22Å; Q43-T46 PolarHBondContact O-N 2.81Å; Q43-T46 PolarHBondContact O-OG1 2.79Å; N44-T46 VanDerWaalsContact C-N 3.31Å; N44-T46 PolarHBondContact O-N 3.42Å; T46-I51 HydrophobicContact CG2-CG2 3.94Å; T46-L53 HydrophobicContact CG2-CD1 4.18Å; T46-L53 HydrophobicContact CG2-CD2 3.81Å; T46-L53 HydrophobicContact CG2-CG 3.88Å; T46-A59 WeakPolarHBondContact OG1-CB 3.3Å
47	T	91.3	Very high	94.1	Very high	111 Å²	111	54 Å²	54	68%	0.681	27%	0.269	S	S	*	.	H	α-helix	trans	-110.9	-5.2	173.9	53.7	0	0	0	0	113.7	N44 L45	N44-T47 PolarHBondContact O-N 2.85Å; N44-T47 PolarHBondContact O-OG1 2.95Å; N44-T47 VanDerWaalsContact O-OG1 3.04Å; L45-T47 PolarHBondContact O-N 2.58Å; L45-T47 VanDerWaalsContact O-N 3.15Å
48	T	95.1	Very high	93.6	Very high	75 Å²	75	45.5 Å²	45.5	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-104.2	-31.7	-177.8	-57.7	0	0	0	0	112.5	N44 L45	N44-T48 VanDerWaalsContact O-CB 3.31Å; N44-T48 WeakPolarHBondContact O-CB 3.21Å; N44-T48 PolarHBondContact O-N 3.43Å; N44-T48 PolarHBondContact O-OG1 3.03Å; N44-T48 PolarHBondContact OD1-OG1 3Å; L45-T48 PolarHBondContact O-N 2.95Å; L45-T48 VanDerWaalsContact O-N 3.11Å
49	Y	95.6	Very high	93.4	Very high	55 Å²	55	45.3 Å²	45.3	22%	0.216	24%	0.242	C	C	.	.	S	Bend	trans	-126.2	163	-173	-61.2	-73.8	0	0	0	110.9	L45 I51 D76 N79 V80 H83	L45-Y49 HydrophobicContact CB-CD2 4.46Å; L45-Y49 HydrophobicContact CD2-CD2 3.7Å; L45-Y49 HydrophobicContact CD2-CE2 3.45Å; L45-Y49 VanDerWaalsContact CD2-CE2 3.45Å; L45-Y49 PolarHBondContact O-N 2.9Å; L45-Y49 VanDerWaalsContact O-N 3.09Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.31Å; Y49-D76 WeakPolarHBondContact CA-OD2 3.41Å; Y49-D76 WeakPolarHBondContact CB-OD2 3.2Å; Y49-D76 HydrophobicContact CD1-CB 4.21Å; Y49-D76 WeakPolarHBondContact CD1-OD1 3.27Å; Y49-N79 HydrophobicContact CD1-CB 4.3Å; Y49-N79 HydrophobicContact CE1-CB 3.68Å; Y49-V80 HydrophobicContact CD1-CG2 4.17Å; Y49-V80 HydrophobicContact CD2-CG2 3.68Å; Y49-V80 HydrophobicContact CE2-CG2 4.27Å; Y49-V80 HydrophobicContact CG-CG2 3.6Å; Y49-H83 AromaticContact CE2-ND1 3.72Å; Y49-H83 AromaticContact CZ-ND1 4Å; Y49-H83 PolarHBondContact OH-ND1 3.04Å
50	E	91.8	Very high	93.1	Very high	114 Å²	114	49.8 Å²	49.8	53%	0.533	27%	0.265	S	S	.	.			trans	-75.8	83.8	179	-165.7	171.9	-175.6	0	0	111.3	N73 D76	E50-N73 HydrophobicContact CB-CB 3.94Å; E50-N73 VanDerWaalsContact CD-ND2 3.34Å; E50-N73 HydrophobicContact CG-CB 3.91Å; E50-N73 PolarHBondContact O-N 3.25Å; E50-N73 PolarHBondContact OE2-ND2 2.87Å; E50-D76 PolarHBondContact N-OD2 3.21Å
51	I	93.3	Very high	92.8	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.4	-173.3	-63.7	-175.4	0	0	0	110.9	L45 T46 Y49 F70 F71 V72 V80	L45-I51 HydrophobicContact CB-CD1 4.03Å; T46-I51 HydrophobicContact CG2-CG2 3.94Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.31Å; I51-F70 HydrophobicContact CD1-CD2 4.29Å; I51-F70 HydrophobicContact CD1-CE2 4.36Å; I51-F70 HydrophobicContact CG2-CB 3.83Å; I51-F70 HydrophobicContact CG2-CD2 3.74Å; I51-F70 HydrophobicContact CG2-CG 4.15Å; I51-F71 VanDerWaalsContact CA-O 3.31Å; I51-F71 WeakPolarHBondContact CA-O 3.49Å; I51-F71 WeakPolarHBondContact CG2-O 3.24Å; I51-V72 HydrophobicContact CD1-CG2 4.47Å; I51-V72 HydrophobicContact CG1-CG1 4.33Å; I51-V72 HydrophobicContact CG1-CG2 4.22Å; I51-V80 HydrophobicContact CD1-CG1 4.26Å; I51-V80 HydrophobicContact CD1-CG2 3.96Å
52	V	91.4	Very high	92.7	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.358	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.7	172.3	179.3	0	0	0	0	109.4	W54 F70 F71	V52-W54 PolarHBondContact O-N 3.25Å; V52-F70 WeakPolarHBondContact O-CA 3.44Å; V52-F71 HydrophobicContact CB-CB 4.29Å; V52-F71 HydrophobicContact CB-CD1 4.23Å; V52-F71 HydrophobicContact CG2-CD1 4.25Å; V52-F71 PolarHBondContact N-O 2.98Å; V52-F71 PolarHBondContact O-N 3.23Å
53	L	92.6	Very high	92.5	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.099	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.3	176.4	-78.8	176	0	0	0	111.6	T46 T58 A59 I62 V68 F70 R183	T46-L53 HydrophobicContact CG2-CD1 4.18Å; T46-L53 HydrophobicContact CG2-CD2 3.81Å; T46-L53 HydrophobicContact CG2-CG 3.88Å; L53-T58 VanDerWaalsContact CD1-C 3.4Å; L53-A59 HydrophobicContact CD1-CB 4.13Å; L53-I62 HydrophobicContact CD2-CD1 4.45Å; L53-V68 HydrophobicContact CD2-CG1 3.95Å; L53-F70 HydrophobicContact CD2-CB 4.15Å; L53-R183 PolarHBondContact O-NH1 2.78Å; L53-R183 PolarHBondContact O-NH2 3.44Å
54	W	89.6	Confident	92.4	Very high	27 Å²	27	51.5 Å²	51.5	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-43.2	171.5	-76.3	23.9	0	0	0	111.6	V28 V52 H69 L95 Y275 Y355 F357 L358	V28-W54 HydrophobicContact CG1-CD2 4.1Å; V28-W54 HydrophobicContact CG1-CE3 3.88Å; V28-W54 HydrophobicContact CG1-CH2 4.34Å; V28-W54 HydrophobicContact CG1-CZ3 3.98Å; V28-W54 HydrophobicContact CG2-CH2 3.7Å; V28-W54 HydrophobicContact CG2-CZ2 3.58Å; V28-W54 HydrophobicContact CG2-CZ3 4.2Å; V52-W54 PolarHBondContact O-N 3.25Å; W54-H69 WeakPolarHBondContact CA-O 3.21Å; W54-H69 HydrophobicContact CB-CB 4.11Å; W54-H69 WeakPolarHBondContact CB-O 3.48Å; W54-H69 PolarHBondContact N-O 2.96Å; W54-L95 HydrophobicContact CH2-CD1 3.97Å; W54-L95 HydrophobicContact CZ3-CD1 4.39Å; W54-Y275 HydrophobicContact CB-CE1 4.43Å; W54-Y275 HydrophobicContact CE3-CE1 4.07Å; W54-Y355 WeakPolarHBondContact CH2-O 3.26Å; W54-Y355 VanDerWaalsContact CZ3-O 3.22Å; W54-Y355 WeakPolarHBondContact CZ3-O 3.28Å; W54-F357 HydrophobicContact CB-CD2 4.23Å; W54-F357 HydrophobicContact CB-CE2 3.8Å; W54-F357 AromaticContact CD1-CD2 3.99Å; W54-F357 AromaticContact CD2-CD2 3.44Å; W54-F357 HydrophobicContact CD2-CD2 3.44Å; W54-F357 VanDerWaalsContact CD2-CD2 3.44Å; W54-F357 AromaticContact CD2-CE2 3.96Å; W54-F357 HydrophobicContact CD2-CE2 3.96Å; W54-F357 HydrophobicContact CD2-CG 4.47Å; W54-F357 AromaticContact CE2-CD2 3.66Å; W54-F357 AromaticContact CE3-CD2 3.83Å; W54-F357 HydrophobicContact CE3-CD2 3.83Å; W54-F357 HydrophobicContact CE3-CE2 4.45Å; W54-F357 AromaticContact CG-CD2 3.66Å; W54-F357 HydrophobicContact CG-CD2 3.66Å; W54-F357 AromaticContact CG-CE2 3.67Å; W54-F357 HydrophobicContact CG-CE2 3.67Å; W54-F357 HydrophobicContact CH2-CB 3.99Å; W54-F357 HydrophobicContact CH2-CD2 4.47Å; W54-F357 HydrophobicContact CZ2-CB 4.12Å; W54-F357 HydrophobicContact CZ2-CD2 4.16Å; W54-F357 HydrophobicContact CZ3-CB 4.24Å; W54-F357 HydrophobicContact CZ3-CD2 4.33Å; W54-F357 AromaticContact NE1-CD2 3.99Å; W54-L358 HydrophobicContact CH2-CB 4.23Å; W54-L358 HydrophobicContact CH2-CD1 3.92Å; W54-L358 HydrophobicContact CH2-CG 3.83Å; W54-L358 HydrophobicContact CZ2-CD1 4.05Å; W54-L358 HydrophobicContact CZ2-CG 4.12Å
55	Q	89.3	Confident	92.2	Very high	55 Å²	55	55.5 Å²	55.5	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	129.6	177.3	-177	-169.5	-74.5	0	0	109.7	Q67 V68 H69 Y275	Q55-Q67 PolarHBondContact NE2-O 2.79Å; Q55-V68 CarbonylContact O-C 3.6Å; Q55-V68 WeakPolarHBondContact O-CA 3.48Å; Q55-H69 HydrophobicContact CB-CB 4.13Å; Q55-H69 PolarHBondContact N-O 2.9Å; Q55-H69 PolarHBondContact O-N 3.28Å; Q55-Y275 WeakPolarHBondContact CB-OH 3.38Å
56	P	91.8	Very high	91.9	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.123	31%	0.309	C	S	.	.	S	Bend	cis	-62.2	177	-16	32.4	-37.4	0	0	0	111.3	T58 L61 I62	P56-T58 PolarHBondContact O-N 3.23Å; P56-L61 HydrophobicContact CB-CB 3.64Å; P56-L61 HydrophobicContact CB-CD1 4.33Å; P56-L61 HydrophobicContact CG-CB 3.8Å; P56-I62 HydrophobicContact CG-CG1 3.82Å
57	V	84.6	Confident	92	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.055	32%	0.323	C	S	.	.	S	Bend	trans	-70.2	-28.6	-175.9	62.2	0	0	0	0	113.9	L61 E239 T240 Y326	V57-L61 HydrophobicContact CG1-CD1 3.87Å; V57-E239 HydrophobicContact CG2-CB 3.81Å; V57-T240 HydrophobicContact CG1-CG2 3.93Å; V57-T240 HydrophobicContact CG2-CG2 4.47Å; V57-Y326 HydrophobicContact CG1-CE2 3.61Å
58	T	86.6	Confident	92.3	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.11	29%	0.292	C	S	.	.	S	Bend	trans	-138.4	157.2	-178.8	54.6	0	0	0	0	111.3	L53 P56 D60 L61 T240	L53-T58 VanDerWaalsContact CD1-C 3.4Å; P56-T58 PolarHBondContact O-N 3.23Å; T58-D60 WeakPolarHBondContact CB-OD1 3.48Å; T58-D60 PolarHBondContact O-N 2.97Å; T58-D60 PolarHBondContact OG1-OD1 2.71Å; T58-L61 PolarHBondContact O-N 2.74Å; T58-L61 WeakPolarHBondContact OG1-CD1 3.44Å; T58-T240 HydrophobicContact CG2-CG2 4.11Å
59	A	92.7	Very high	92.4	Very high	23 Å²	23	55.2 Å²	55.2	19%	0.19	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-69.6	-32.9	-168.6	0	0	0	0	0	113.8	Q43 T46 L53 L61 I62	Q43-A59 HydrophobicContact CG-CB 4.27Å; Q43-A59 VanDerWaalsContact CG-O 3.26Å; Q43-A59 WeakPolarHBondContact CG-O 3.39Å; Q43-A59 PolarHBondContact NE2-O 3.43Å; T46-A59 WeakPolarHBondContact OG1-CB 3.3Å; L53-A59 HydrophobicContact CD1-CB 4.13Å; A59-L61 PolarHBondContact O-N 2.84Å; A59-I62 HydrophobicContact CB-CD1 4.35Å; A59-I62 VanDerWaalsContact O-CB 3.28Å; A59-I62 WeakPolarHBondContact O-CB 3.38Å; A59-I62 VanDerWaalsContact O-CG1 3.3Å; A59-I62 WeakPolarHBondContact O-CG1 3.35Å; A59-I62 PolarHBondContact O-N 3.49Å
60	D	91.6	Very high	92.4	Very high	110 Å²	110	52.9 Å²	52.9	59%	0.588	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.4	175	60.2	-66.1	0	0	0	112.7	T58 I62	T58-D60 WeakPolarHBondContact CB-OD1 3.48Å; T58-D60 PolarHBondContact O-N 2.97Å; T58-D60 PolarHBondContact OG1-OD1 2.71Å; D60-I62 PolarHBondContact O-N 2.79Å
61	L	92.3	Very high	92.6	Very high	41 Å²	41	48 Å²	48	22%	0.215	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77.3	-3.3	178.1	-61.3	176.4	0	0	0	113.9	P56 V57 T58 A59 V63 Y326	P56-L61 HydrophobicContact CB-CB 3.64Å; P56-L61 HydrophobicContact CB-CD1 4.33Å; P56-L61 HydrophobicContact CG-CB 3.8Å; V57-L61 HydrophobicContact CG1-CD1 3.87Å; T58-L61 PolarHBondContact O-N 2.74Å; T58-L61 WeakPolarHBondContact OG1-CD1 3.44Å; A59-L61 PolarHBondContact O-N 2.84Å; L61-V63 PolarHBondContact O-N 2.95Å; L61-Y326 HydrophobicContact CD1-CD1 4.43Å; L61-Y326 HydrophobicContact CD1-CD2 3.52Å; L61-Y326 HydrophobicContact CD1-CE2 3.96Å; L61-Y326 HydrophobicContact CD1-CG 3.81Å
62	I	95.3	Very high	92.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.233	C	C	.	.			trans	-68.7	119.3	176.9	-64.7	172.1	0	0	0	109.3	P33 V39 L42 Q43 L53 P56 A59 D60 V68	P33-I62 HydrophobicContact CG-CG2 4.2Å; V39-I62 HydrophobicContact CB-CG2 4.45Å; V39-I62 HydrophobicContact CG1-CB 4.44Å; V39-I62 HydrophobicContact CG1-CG2 4.08Å; V39-I62 WeakPolarHBondContact CG1-O 3.47Å; V39-I62 HydrophobicContact CG2-CG2 4.31Å; L42-I62 HydrophobicContact CB-CD1 4.19Å; L42-I62 HydrophobicContact CB-CG2 4.4Å; L42-I62 HydrophobicContact CD1-CG2 4.36Å; Q43-I62 HydrophobicContact CG-CB 4.31Å; Q43-I62 HydrophobicContact CG-CD1 4.15Å; L53-I62 HydrophobicContact CD2-CD1 4.45Å; P56-I62 HydrophobicContact CG-CG1 3.82Å; A59-I62 HydrophobicContact CB-CD1 4.35Å; A59-I62 VanDerWaalsContact O-CB 3.28Å; A59-I62 WeakPolarHBondContact O-CB 3.38Å; A59-I62 VanDerWaalsContact O-CG1 3.3Å; A59-I62 WeakPolarHBondContact O-CG1 3.35Å; A59-I62 PolarHBondContact O-N 3.49Å; D60-I62 PolarHBondContact O-N 2.79Å; I62-V68 HydrophobicContact CB-CG2 4.41Å; I62-V68 HydrophobicContact CD1-CG1 4.11Å; I62-V68 HydrophobicContact CD1-CG2 4.44Å; I62-V68 HydrophobicContact CG1-CG1 4.31Å; I62-V68 HydrophobicContact CG1-CG2 4.07Å; I62-V68 HydrophobicContact CG2-CG2 3.67Å
63	V	93.5	Very high	92.8	Very high	68 Å²	68	45.8 Å²	45.8	41%	0.412	23%	0.225	S	C	.	.			trans	-129.1	149.4	-178.3	-64.9	0	0	0	0	112.5	L61 K65 K66	L61-V63 PolarHBondContact O-N 2.95Å; V63-K65 PolarHBondContact O-N 3.32Å; V63-K66 HydrophobicContact CG2-CB 4.03Å; V63-K66 HydrophobicContact CG2-CD 3.79Å; V63-K66 HydrophobicContact CG2-CG 3.84Å; V63-K66 PolarHBondContact O-N 3.19Å
64	K	94.8	Very high	92.9	Very high	130 Å²	130	47.4 Å²	47.4	57%	0.565	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.1	176.2	67.4	-168.6	176.9	-170.4	0	111.3	P33 V39 K66	P33-K64 CarbonylContact O-C 3.56Å; P33-K64 WeakPolarHBondContact O-CA 3.41Å; V39-K64 HydrophobicContact CG2-CB 4.43Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 3.06Å
65	K	92.8	Very high	93.1	Very high	174 Å²	174	49.9 Å²	49.9	76%	0.757	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	3.3	179.2	-50.7	-178.2	178.1	-176.8	0	117	P33 V63	P33-K65 PolarHBondContact O-N 3.08Å; V63-K65 PolarHBondContact O-N 3.32Å
66	K	91.9	Very high	93.5	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.465	26%	0.257	S	S	.	.	S	Bend	trans	-96.3	147	161	-71.4	-165.5	178.6	-171.2	0	109.5	L32 P33 V63 K64 L325	L32-K66 WeakPolarHBondContact CD1-O 3.3Å; P33-K66 WeakPolarHBondContact CD-O 3.32Å; V63-K66 HydrophobicContact CG2-CB 4.03Å; V63-K66 HydrophobicContact CG2-CD 3.79Å; V63-K66 HydrophobicContact CG2-CG 3.84Å; V63-K66 PolarHBondContact O-N 3.19Å; K64-K66 VanDerWaalsContact C-N 3.29Å; K64-K66 PolarHBondContact O-N 3.06Å; K66-L325 PolarHBondContact NZ-O 2.93Å
67	Q	94.4	Very high	93.8	Very high	100 Å²	100	48.2 Å²	48.2	47%	0.467	25%	0.254	S	S	.	.			trans	-72.9	143	171.9	-84	175	-51.8	0	0	111	L32 Q55	L32-Q67 HydrophobicContact CD1-CG 4.27Å; Q55-Q67 PolarHBondContact NE2-O 2.79Å
68	V	97.3	Very high	94.4	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.4	171.9	-175.2	0	0	0	0	108	A30 A31 P33 L42 L53 Q55 I62 F70	A30-V68 CarbonylContact C-O 3.33Å; A30-V68 VanDerWaalsContact CA-O 3.31Å; A30-V68 WeakPolarHBondContact CA-O 3.37Å; A31-V68 PolarHBondContact N-O 3.02Å; A31-V68 PolarHBondContact O-N 2.66Å; P33-V68 HydrophobicContact CG-CG2 4.29Å; L42-V68 HydrophobicContact CD1-CB 4.26Å; L42-V68 HydrophobicContact CD1-CG2 3.86Å; L53-V68 HydrophobicContact CD2-CG1 3.95Å; Q55-V68 CarbonylContact O-C 3.6Å; Q55-V68 WeakPolarHBondContact O-CA 3.48Å; I62-V68 HydrophobicContact CB-CG2 4.41Å; I62-V68 HydrophobicContact CD1-CG1 4.11Å; I62-V68 HydrophobicContact CD1-CG2 4.44Å; I62-V68 HydrophobicContact CG1-CG1 4.31Å; I62-V68 HydrophobicContact CG1-CG2 4.07Å; I62-V68 HydrophobicContact CG2-CG2 3.67Å; V68-F70 HydrophobicContact CG1-CD1 4.03Å
69	H	97.3	Very high	94.9	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.5	176	-53.6	157.1	0	0	0	109.3	L29 W54 Q55 L94 Y275	L29-H69 WeakPolarHBondContact O-CA 3.25Å; W54-H69 WeakPolarHBondContact CA-O 3.21Å; W54-H69 HydrophobicContact CB-CB 4.11Å; W54-H69 WeakPolarHBondContact CB-O 3.48Å; W54-H69 PolarHBondContact N-O 2.96Å; Q55-H69 HydrophobicContact CB-CB 4.13Å; Q55-H69 PolarHBondContact N-O 2.9Å; Q55-H69 PolarHBondContact O-N 3.28Å; H69-L94 HydrophobicContact CB-CD1 4.32Å; H69-Y275 AromaticContact ND1-CE2 3.89Å; H69-Y275 AromaticContact ND1-CZ 3.9Å; H69-Y275 PolarHBondContact ND1-OH 2.93Å
70	F	96.6	Very high	95.2	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.022	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	142	-173.7	56.8	-79.7	0	0	0	112.2	V28 L29 A31 I51 V52 L53 V68 V72 V80 L84	V28-F70 CarbonylContact C-O 3Å; V28-F70 WeakPolarHBondContact CA-O 3.31Å; L29-F70 HydrophobicContact CB-CD2 4.36Å; L29-F70 HydrophobicContact CB-CE1 4.1Å; L29-F70 HydrophobicContact CB-CE2 3.87Å; L29-F70 HydrophobicContact CB-CZ 3.72Å; L29-F70 HydrophobicContact CD1-CE2 3.95Å; L29-F70 HydrophobicContact CD1-CZ 4.2Å; L29-F70 HydrophobicContact CG-CE2 4.33Å; L29-F70 PolarHBondContact N-O 3.04Å; L29-F70 PolarHBondContact O-N 3.05Å; A31-F70 HydrophobicContact CB-CE1 3.96Å; I51-F70 HydrophobicContact CD1-CD2 4.29Å; I51-F70 HydrophobicContact CD1-CE2 4.36Å; I51-F70 HydrophobicContact CG2-CB 3.83Å; I51-F70 HydrophobicContact CG2-CD2 3.74Å; I51-F70 HydrophobicContact CG2-CG 4.15Å; V52-F70 WeakPolarHBondContact O-CA 3.44Å; L53-F70 HydrophobicContact CD2-CB 4.15Å; V68-F70 HydrophobicContact CG1-CD1 4.03Å; F70-V72 HydrophobicContact CD2-CG2 3.59Å; F70-V72 HydrophobicContact CE2-CG2 3.61Å; F70-V80 HydrophobicContact CE2-CG1 4.02Å; F70-L84 HydrophobicContact CZ-CD1 4.09Å
71	F	95.3	Very high	95.5	Very high	11 Å²	11	52.8 Å²	52.8	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.4	166.8	168.3	-94.3	0	0	0	109.9	Q24 Q27 V28 I51 V52 N73 V98	Q24-F71 HydrophobicContact CB-CE2 4.5Å; Q24-F71 HydrophobicContact CB-CZ 3.96Å; Q24-F71 WeakPolarHBondContact O-CE2 3.43Å; Q27-F71 CarbonylContact O-C 3.57Å; Q27-F71 WeakPolarHBondContact O-CA 3.43Å; V28-F71 HydrophobicContact CG2-CB 4.36Å; V28-F71 HydrophobicContact CG2-CD2 4.45Å; I51-F71 VanDerWaalsContact CA-O 3.31Å; I51-F71 WeakPolarHBondContact CA-O 3.49Å; I51-F71 WeakPolarHBondContact CG2-O 3.24Å; V52-F71 HydrophobicContact CB-CB 4.29Å; V52-F71 HydrophobicContact CB-CD1 4.23Å; V52-F71 HydrophobicContact CG2-CD1 4.25Å; V52-F71 PolarHBondContact N-O 2.98Å; V52-F71 PolarHBondContact O-N 3.23Å; F71-N73 HydrophobicContact CE1-CB 4.23Å; F71-V98 HydrophobicContact CD2-CB 4.43Å; F71-V98 HydrophobicContact CD2-CG1 4.11Å; F71-V98 HydrophobicContact CD2-CG2 4.07Å; F71-V98 HydrophobicContact CE2-CB 4.07Å; F71-V98 HydrophobicContact CE2-CG1 3.83Å; F71-V98 HydrophobicContact CE2-CG2 4.15Å
72	V	96.1	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.6	171.3	-170.2	0	0	0	0	108.2	G26 Q27 L29 I51 F70 D76 V77 V80	G26-V72 VanDerWaalsContact CA-O 3.26Å; G26-V72 WeakPolarHBondContact CA-O 3.26Å; Q27-V72 PolarHBondContact N-O 3.01Å; Q27-V72 VanDerWaalsContact N-O 3.08Å; Q27-V72 PolarHBondContact O-N 3.24Å; L29-V72 HydrophobicContact CD1-CG2 3.82Å; L29-V72 HydrophobicContact CG-CG2 4.18Å; I51-V72 HydrophobicContact CD1-CG2 4.47Å; I51-V72 HydrophobicContact CG1-CG1 4.33Å; I51-V72 HydrophobicContact CG1-CG2 4.22Å; F70-V72 HydrophobicContact CD2-CG2 3.59Å; F70-V72 HydrophobicContact CE2-CG2 3.61Å; V72-D76 HydrophobicContact CG1-CB 3.78Å; V72-V77 HydrophobicContact CB-CG2 4.19Å; V72-V77 HydrophobicContact CG1-CG2 4.25Å; V72-V80 HydrophobicContact CG1-CB 4.22Å; V72-V80 HydrophobicContact CG1-CG2 3.87Å; V72-V80 HydrophobicContact CG2-CG1 4.14Å
73	N	93.3	Very high	95.9	Very high	36 Å²	36	56.3 Å²	56.3	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	146	175	-170.1	16.4	0	0	0	111	S25 E50 F71 S75 D76 V77	S25-N73 PolarHBondContact O-OD1 3.22Å; S25-N73 VanDerWaalsContact O-OD1 3.08Å; E50-N73 HydrophobicContact CB-CB 3.94Å; E50-N73 VanDerWaalsContact CD-ND2 3.34Å; E50-N73 HydrophobicContact CG-CB 3.91Å; E50-N73 PolarHBondContact O-N 3.25Å; E50-N73 PolarHBondContact OE2-ND2 2.87Å; F71-N73 HydrophobicContact CE1-CB 4.23Å; N73-S75 PolarHBondContact ND2-OG 2.99Å; N73-S75 PolarHBondContact O-N 3.39Å; N73-D76 PolarHBondContact O-N 3.02Å; N73-V77 PolarHBondContact O-N 3.46Å
74	A	93.3	Very high	96.1	Very high	52 Å²	52	53.1 Å²	53.1	43%	0.43	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-34.2	-173.6	0	0	0	0	0	114.5	S25 D76	S25-A74 WeakPolarHBondContact O-CB 3.45Å; S25-A74 PolarHBondContact O-N 2.93Å; A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 2.89Å
75	S	94.9	Very high	96.2	Very high	80 Å²	80	53.1 Å²	53.1	56%	0.559	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.1	176.1	47.5	0	0	0	0	114.4	N73	N73-S75 PolarHBondContact ND2-OG 2.99Å; N73-S75 PolarHBondContact O-N 3.39Å
76	D	96.9	Very high	96.4	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.144	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-8.1	-171.6	-86.3	-26.8	0	0	0	114.4	Y49 E50 V72 N73 A74 D78 N79 V80	Y49-D76 WeakPolarHBondContact CA-OD2 3.41Å; Y49-D76 WeakPolarHBondContact CB-OD2 3.2Å; Y49-D76 HydrophobicContact CD1-CB 4.21Å; Y49-D76 WeakPolarHBondContact CD1-OD1 3.27Å; E50-D76 PolarHBondContact N-OD2 3.21Å; V72-D76 HydrophobicContact CG1-CB 3.78Å; N73-D76 PolarHBondContact O-N 3.02Å; A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 2.89Å; D76-D78 VanDerWaalsContact C-N 3.3Å; D76-D78 PolarHBondContact O-N 3.43Å; D76-N79 WeakPolarHBondContact O-CB 3.41Å; D76-N79 PolarHBondContact O-N 2.8Å; D76-N79 VanDerWaalsContact O-N 3.14Å; D76-N79 PolarHBondContact OD1-ND2 3.3Å; D76-N79 VanDerWaalsContact OD1-ND2 3.14Å; D76-V80 HydrophobicContact CB-CG2 4.28Å; D76-V80 WeakPolarHBondContact O-CB 3.4Å; D76-V80 WeakPolarHBondContact O-CG2 3.14Å; D76-V80 PolarHBondContact O-N 2.8Å
77	V	97.4	Very high	96.7	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-48.2	-48.2	-176.8	165	0	0	0	0	112.6	Q27 V72 N73 K81	Q27-V77 HydrophobicContact CB-CG2 4.16Å; Q27-V77 HydrophobicContact CG-CG1 4.2Å; Q27-V77 HydrophobicContact CG-CG2 4.13Å; V72-V77 HydrophobicContact CB-CG2 4.19Å; V72-V77 HydrophobicContact CG1-CG2 4.25Å; N73-V77 PolarHBondContact O-N 3.46Å; V77-K81 HydrophobicContact CG1-CD 4.13Å; V77-K81 VanDerWaalsContact CG1-CE 3.44Å; V77-K81 WeakPolarHBondContact O-CB 3.23Å; V77-K81 WeakPolarHBondContact O-CD 3.05Å; V77-K81 WeakPolarHBondContact O-CG 3.43Å; V77-K81 PolarHBondContact O-N 3.45Å; V77-K81 VanDerWaalsContact O-N 3.1Å
78	D	97.8	Very high	96.8	Very high	114 Å²	114	45.4 Å²	45.4	61%	0.61	28%	0.278	S	S	*	.	H	α-helix	trans	-81.7	-31.9	-177.2	-70.2	-20.2	0	0	0	113.1	D76 K81 A82	D76-D78 VanDerWaalsContact C-N 3.3Å; D76-D78 PolarHBondContact O-N 3.43Å; D78-K81 PolarHBondContact O-N 3.28Å; D78-K81 IonicContact OD1-NZ 3.45Å; D78-K81 PolarHBondContact OD1-NZ 3.09Å; D78-A82 VanDerWaalsContact O-CB 3.32Å; D78-A82 WeakPolarHBondContact O-CB 3.3Å; D78-A82 PolarHBondContact O-N 2.85Å
79	N	98	Very high	96.8	Very high	81 Å²	81	45.5 Å²	45.5	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-48.7	171.4	-65.7	-34.3	0	0	0	110.7	Y49 D76 A82 H83	Y49-N79 HydrophobicContact CD1-CB 4.3Å; Y49-N79 HydrophobicContact CE1-CB 3.68Å; D76-N79 WeakPolarHBondContact O-CB 3.41Å; D76-N79 PolarHBondContact O-N 2.8Å; D76-N79 VanDerWaalsContact O-N 3.14Å; D76-N79 PolarHBondContact OD1-ND2 3.3Å; D76-N79 VanDerWaalsContact OD1-ND2 3.14Å; N79-A82 PolarHBondContact O-N 3.49Å; N79-H83 WeakPolarHBondContact O-CB 3.41Å; N79-H83 PolarHBondContact O-N 2.69Å
80	V	98.3	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-44.6	-179.9	171	0	0	0	0	111	L29 L45 Y49 I51 F70 V72 D76 A82 H83 L84	L29-V80 HydrophobicContact CD1-CG1 4.29Å; L45-V80 HydrophobicContact CD1-CG1 4.48Å; Y49-V80 HydrophobicContact CD1-CG2 4.17Å; Y49-V80 HydrophobicContact CD2-CG2 3.68Å; Y49-V80 HydrophobicContact CE2-CG2 4.27Å; Y49-V80 HydrophobicContact CG-CG2 3.6Å; I51-V80 HydrophobicContact CD1-CG1 4.26Å; I51-V80 HydrophobicContact CD1-CG2 3.96Å; F70-V80 HydrophobicContact CE2-CG1 4.02Å; V72-V80 HydrophobicContact CG1-CB 4.22Å; V72-V80 HydrophobicContact CG1-CG2 3.87Å; V72-V80 HydrophobicContact CG2-CG1 4.14Å; D76-V80 HydrophobicContact CB-CG2 4.28Å; D76-V80 WeakPolarHBondContact O-CB 3.4Å; D76-V80 WeakPolarHBondContact O-CG2 3.14Å; D76-V80 PolarHBondContact O-N 2.8Å; V80-A82 PolarHBondContact O-N 2.98Å; V80-H83 PolarHBondContact O-N 3.26Å; V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 WeakPolarHBondContact O-CB 3.41Å; V80-L84 WeakPolarHBondContact O-CD1 3.38Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3.08Å
81	K	98.4	Very high	96.5	Very high	62 Å²	62	50.8 Å²	50.8	27%	0.27	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-44.5	173.5	-75.6	166.9	-173.2	165.6	0	112.3	Q27 L29 V77 D78 L84 N85	Q27-K81 VanDerWaalsContact OE1-CE 3.27Å; L29-K81 HydrophobicContact CD1-CG 4.43Å; V77-K81 HydrophobicContact CG1-CD 4.13Å; V77-K81 VanDerWaalsContact CG1-CE 3.44Å; V77-K81 WeakPolarHBondContact O-CB 3.23Å; V77-K81 WeakPolarHBondContact O-CD 3.05Å; V77-K81 WeakPolarHBondContact O-CG 3.43Å; V77-K81 PolarHBondContact O-N 3.45Å; V77-K81 VanDerWaalsContact O-N 3.1Å; D78-K81 PolarHBondContact O-N 3.28Å; D78-K81 IonicContact OD1-NZ 3.45Å; D78-K81 PolarHBondContact OD1-NZ 3.09Å; K81-L84 PolarHBondContact O-N 3.37Å; K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 2.96Å
82	A	97.9	Very high	96.6	Very high	54 Å²	54	53.1 Å²	53.1	45%	0.446	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-45.3	178.4	0	0	0	0	0	111.7	D78 N79 V80 L84 N85 V86	D78-A82 VanDerWaalsContact O-CB 3.32Å; D78-A82 WeakPolarHBondContact O-CB 3.3Å; D78-A82 PolarHBondContact O-N 2.85Å; N79-A82 PolarHBondContact O-N 3.49Å; V80-A82 PolarHBondContact O-N 2.98Å; A82-L84 PolarHBondContact O-N 2.66Å; A82-N85 PolarHBondContact O-N 3.04Å; A82-V86 WeakPolarHBondContact O-CG2 3.41Å; A82-V86 PolarHBondContact O-N 2.87Å
83	H	98.1	Very high	96.7	Very high	64 Å²	64	56.4 Å²	56.4	30%	0.296	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-42.3	178.3	-156.6	144.6	0	0	0	111.8	L45 Y49 N79 V80 S87	L45-H83 HydrophobicContact CD2-CB 3.97Å; Y49-H83 AromaticContact CE2-ND1 3.72Å; Y49-H83 AromaticContact CZ-ND1 4Å; Y49-H83 PolarHBondContact OH-ND1 3.04Å; N79-H83 WeakPolarHBondContact O-CB 3.41Å; N79-H83 PolarHBondContact O-N 2.69Å; V80-H83 PolarHBondContact O-N 3.26Å; H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.3Å; H83-S87 PolarHBondContact O-N 3.47Å; H83-S87 PolarHBondContact O-OG 3.47Å
84	L	97.7	Very high	96.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-43.6	175.1	-71.9	165.6	0	0	0	112.2	L42 L45 F70 V80 K81 A82 S87 G88 I89 C91	L42-L84 HydrophobicContact CD2-CD2 3.49Å; L42-L84 VanDerWaalsContact CD2-CD2 3.49Å; L45-L84 HydrophobicContact CD1-CD2 3.53Å; L45-L84 HydrophobicContact CD1-CG 3.82Å; F70-L84 HydrophobicContact CZ-CD1 4.09Å; V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 HydrophobicContact CG1-CG 4.42Å; V80-L84 WeakPolarHBondContact O-CB 3.41Å; V80-L84 WeakPolarHBondContact O-CD1 3.38Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3.08Å; K81-L84 PolarHBondContact O-N 3.37Å; A82-L84 PolarHBondContact O-N 2.66Å; L84-S87 CarbonylContact O-C 3.58Å; L84-S87 PolarHBondContact O-N 3.33Å; L84-G88 PolarHBondContact O-N 3.03Å; L84-I89 HydrophobicContact CD2-CB 4.02Å; L84-I89 HydrophobicContact CD2-CD1 4.12Å; L84-I89 HydrophobicContact CD2-CG2 3.92Å; L84-I89 PolarHBondContact O-N 2.9Å; L84-C91 HydrophobicContact CB-CB 4.45Å; L84-C91 HydrophobicContact CD1-CB 4.05Å
85	N	97.3	Very high	96.9	Very high	130 Å²	130	55 Å²	55	70%	0.695	34%	0.336	S	S	*	.	H	α-helix	trans	-62.6	-51	178.1	-172.4	19.8	0	0	0	111.5	K81 A82 S87 G88	K81-N85 WeakPolarHBondContact O-CB 3.5Å; K81-N85 PolarHBondContact O-N 2.96Å; A82-N85 PolarHBondContact O-N 3.04Å; N85-S87 PolarHBondContact O-N 2.77Å; N85-G88 PolarHBondContact O-N 2.88Å
86	V	97.4	Very high	97	Very high	132 Å²	132	54.5 Å²	54.5	80%	0.8	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-30.6	175.7	173.1	0	0	0	0	111.9	A82 G88	A82-V86 WeakPolarHBondContact O-CG2 3.41Å; A82-V86 PolarHBondContact O-N 2.87Å; V86-G88 VanDerWaalsContact C-N 3.26Å; V86-G88 PolarHBondContact O-N 3.36Å
87	S	96.4	Very high	96.8	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.1	175.8	-58.1	0	0	0	0	114.5	H83 L84 N85 I89	H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.3Å; H83-S87 PolarHBondContact O-N 3.47Å; H83-S87 PolarHBondContact O-OG 3.47Å; L84-S87 CarbonylContact O-C 3.58Å; L84-S87 PolarHBondContact O-N 3.33Å; N85-S87 PolarHBondContact O-N 2.77Å; S87-I89 PolarHBondContact O-N 2.72Å
88	G	96.6	Very high	96.4	Very high	51 Å²	51	56.8 Å²	56.8	53%	0.526	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	28.7	-176.8	0	0	0	0	0	113.6	Q38 L84 N85 V86 P90	Q38-G88 PolarHBondContact NE2-O 3.3Å; L84-G88 PolarHBondContact O-N 3.03Å; N85-G88 PolarHBondContact O-N 2.88Å; V86-G88 VanDerWaalsContact C-N 3.26Å; V86-G88 PolarHBondContact O-N 3.36Å; G88-P90 WeakPolarHBondContact O-CD 3.31Å
89	I	97.4	Very high	95.9	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	34%	0.336	C	S	.	.			trans	-94	116	-179.8	-61.8	176	0	0	0	108.4	A31 Q38 V41 L42 L84 S87 C91	A31-I89 HydrophobicContact CB-CG2 3.98Å; Q38-I89 HydrophobicContact CB-CD1 3.99Å; Q38-I89 HydrophobicContact CB-CG1 4Å; Q38-I89 HydrophobicContact CG-CD1 4.12Å; Q38-I89 HydrophobicContact CG-CG1 3.71Å; V41-I89 HydrophobicContact CB-CD1 3.88Å; V41-I89 HydrophobicContact CG1-CD1 3.61Å; L42-I89 HydrophobicContact CD2-CD1 4.29Å; L42-I89 HydrophobicContact CD2-CG2 4.42Å; L42-I89 HydrophobicContact CG-CD1 4.22Å; L84-I89 HydrophobicContact CD2-CB 4.02Å; L84-I89 HydrophobicContact CD2-CD1 4.12Å; L84-I89 HydrophobicContact CD2-CG2 3.92Å; L84-I89 PolarHBondContact O-N 2.9Å; S87-I89 PolarHBondContact O-N 2.72Å; I89-C91 PolarHBondContact O-N 3.47Å
90	P	92.8	Very high	95.5	Very high	68 Å²	68	54.7 Å²	54.7	44%	0.442	34%	0.335	S	S	.	.			trans	-61	122.6	174.4	-21.9	34	0	0	0	110.3	A31 L32 G88	A31-P90 WeakPolarHBondContact CA-O 3.42Å; L32-P90 PolarHBondContact N-O 3.19Å; G88-P90 WeakPolarHBondContact O-CD 3.31Å
91	C	95.3	Very high	95	Very high	51 Å²	51	55.9 Å²	55.9	35%	0.345	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	-180	-175.9	0	0	0	0	109.8	A30 L84 I89	A30-C91 CarbonylContact O-C 3.57Å; A30-C91 VanDerWaalsContact O-CA 3.31Å; A30-C91 WeakPolarHBondContact O-CA 3.35Å; L84-C91 HydrophobicContact CB-CB 4.45Å; L84-C91 HydrophobicContact CD1-CB 4.05Å; I89-C91 PolarHBondContact O-N 3.47Å
92	S	97.3	Very high	94.1	Very high	59 Å²	59	54 Å²	54	41%	0.413	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.2	172.9	53.3	0	0	0	0	110.2	L29 A30	L29-S92 WeakPolarHBondContact CA-O 3.46Å; A30-S92 PolarHBondContact N-O 3.44Å; A30-S92 PolarHBondContact O-N 3.25Å
93	V	98	Very high	93.5	Very high	70 Å²	70	55 Å²	55	42%	0.424	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.6	168.3	-175.6	0	0	0	0	108.1	L29 L95 A96	L29-V93 HydrophobicContact CD2-CB 4.23Å; L29-V93 HydrophobicContact CD2-CG1 4.37Å; L29-V93 HydrophobicContact CD2-CG2 3.8Å; V93-L95 WeakPolarHBondContact CG1-O 3.2Å; V93-A96 HydrophobicContact CG1-CB 3.96Å
94	L	96.3	Very high	93	Very high	50 Å²	50	56.4 Å²	56.4	26%	0.262	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-53.6	171.1	-65.5	172.1	0	0	0	109.7	V28 A30 H69 G353	V28-L94 HydrophobicContact CB-CB 4.41Å; V28-L94 HydrophobicContact CG1-CB 4.29Å; V28-L94 HydrophobicContact CG1-CD1 3.94Å; V28-L94 WeakPolarHBondContact O-CB 3.49Å; V28-L94 PolarHBondContact O-N 3.3Å; A30-L94 HydrophobicContact CB-CD1 3.73Å; A30-L94 HydrophobicContact CB-CD2 3.97Å; A30-L94 HydrophobicContact CB-CG 3.78Å; H69-L94 HydrophobicContact CB-CD1 4.32Å; L94-G353 WeakPolarHBondContact CD1-O 3.42Å; L94-G353 WeakPolarHBondContact CD2-O 3.41Å
95	L	94.9	Very high	92.3	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.7	178.8	-55	177	0	0	0	108.7	Q27 V28 W54 V93 V98 L101 T354 Y355 L358	Q27-L95 WeakPolarHBondContact CA-O 3.27Å; Q27-L95 WeakPolarHBondContact CB-O 3.37Å; V28-L95 HydrophobicContact CB-CB 4.01Å; V28-L95 HydrophobicContact CB-CD1 4.28Å; V28-L95 HydrophobicContact CB-CG 4.22Å; V28-L95 HydrophobicContact CG2-CB 4.19Å; V28-L95 HydrophobicContact CG2-CD1 3.98Å; V28-L95 HydrophobicContact CG2-CG 4.41Å; V28-L95 PolarHBondContact N-O 3.16Å; V28-L95 PolarHBondContact O-N 3.34Å; W54-L95 HydrophobicContact CH2-CD1 3.97Å; W54-L95 HydrophobicContact CZ3-CD1 4.39Å; V93-L95 WeakPolarHBondContact CG1-O 3.2Å; L95-V98 HydrophobicContact CB-CG2 4.37Å; L95-L101 HydrophobicContact CB-CD1 4.1Å; L95-L101 HydrophobicContact CD1-CD1 3.91Å; L95-L101 HydrophobicContact CD2-CD1 3.81Å; L95-L101 HydrophobicContact CG-CD1 4.16Å; L95-T354 WeakPolarHBondContact CD2-O 3.31Å; L95-Y355 HydrophobicContact CD2-CD1 3.62Å; L95-Y355 HydrophobicContact CD2-CE1 4.06Å; L95-L358 HydrophobicContact CD1-CB 4.05Å; L95-L358 HydrophobicContact CD1-CD1 3.86Å; L95-L358 HydrophobicContact CD1-CG 4.49Å
96	A	96.6	Very high	91.6	Very high	68 Å²	68	53.7 Å²	53.7	56%	0.562	32%	0.321	S	S	*	.	S	Bend	trans	-91.7	-21.1	-172	0	0	0	0	0	114	Q27 V93	Q27-A96 WeakPolarHBondContact CG-O 3.45Å; Q27-A96 PolarHBondContact NE2-O 3.2Å; V93-A96 HydrophobicContact CG1-CB 3.96Å
97	D	93.5	Very high	91.2	Very high	83 Å²	83	51.3 Å²	51.3	44%	0.444	31%	0.31	S	S	.	.			trans	-136.9	115.1	172.2	-167.5	-33.6	0	0	0	106.9	E99 D100 L101	D97-E99 PolarHBondContact OD1-N 2.7Å; D97-D100 HydrophobicContact CB-CB 4.27Å; D97-D100 PolarHBondContact OD1-N 3.45Å; D97-L101 VanDerWaalsContact O-CD1 3.28Å; D97-L101 WeakPolarHBondContact O-CD1 3.43Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å
98	V	88.7	Confident	90.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	31%	0.31	C	S	.	.	S	Bend	trans	-93.6	-26.5	-179.9	169.3	0	0	0	0	111.3	Q24 G26 V28 F71 L95 I102 L358	Q24-V98 WeakPolarHBondContact O-CG1 3.27Å; G26-V98 WeakPolarHBondContact O-CG2 3.37Å; G26-V98 PolarHBondContact O-N 2.87Å; V28-V98 HydrophobicContact CG2-CG2 3.89Å; F71-V98 HydrophobicContact CD2-CB 4.43Å; F71-V98 HydrophobicContact CD2-CG1 4.11Å; F71-V98 HydrophobicContact CD2-CG2 4.07Å; F71-V98 HydrophobicContact CE2-CB 4.07Å; F71-V98 HydrophobicContact CE2-CG1 3.83Å; F71-V98 HydrophobicContact CE2-CG2 4.15Å; L95-V98 HydrophobicContact CB-CG2 4.37Å; V98-I102 HydrophobicContact CG1-CD1 3.78Å; V98-I102 HydrophobicContact CG1-CG1 4.44Å; V98-I102 WeakPolarHBondContact O-CD1 3.24Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.19Å; V98-I102 PolarHBondContact O-N 2.89Å; V98-I102 VanDerWaalsContact O-N 3.11Å; V98-L358 HydrophobicContact CG1-CD1 3.83Å; V98-L358 HydrophobicContact CG2-CD1 4.37Å
99	E	86.7	Confident	90.3	Very high	74 Å²	74	50.8 Å²	50.8	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-71.3	-49	-178.9	-179.8	166.9	-149.9	0	0	110.4	F23 D97 L101 I102 Q103	F23-E99 HydrophobicContact CB-CG 3.93Å; D97-E99 PolarHBondContact OD1-N 2.7Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.96Å; E99-I102 PolarHBondContact O-N 3.11Å; E99-I102 VanDerWaalsContact O-N 3.17Å; E99-Q103 WeakPolarHBondContact O-CG 3.2Å; E99-Q103 PolarHBondContact O-N 2.9Å
100	D	90.4	Very high	90	Very high	76 Å²	76	55.8 Å²	55.8	41%	0.406	32%	0.323	S	S	.	.	H	α-helix	trans	-55.4	-43.4	174.5	173.4	49	0	0	0	112	D97 I102 Q103 Q104	D97-D100 HydrophobicContact CB-CB 4.27Å; D97-D100 PolarHBondContact OD1-N 3.45Å; D100-I102 PolarHBondContact O-N 3.37Å; D100-Q103 PolarHBondContact O-N 3.38Å; D100-Q104 WeakPolarHBondContact O-CB 3.19Å; D100-Q104 VanDerWaalsContact O-CG 3.29Å; D100-Q104 WeakPolarHBondContact O-CG 3.42Å; D100-Q104 PolarHBondContact O-N 3.36Å; D100-Q104 PolarHBondContact OD1-NE2 2.67Å; D100-Q104 PolarHBondContact OD2-NE2 3.43Å
101	L	87.7	Confident	90.1	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-38.9	178.6	-70	174.6	0	0	0	112.8	L95 D97 E99 Q105	L95-L101 HydrophobicContact CB-CD1 4.1Å; L95-L101 HydrophobicContact CD1-CD1 3.91Å; L95-L101 HydrophobicContact CD2-CD1 3.81Å; L95-L101 HydrophobicContact CG-CD1 4.16Å; D97-L101 VanDerWaalsContact O-CD1 3.28Å; D97-L101 WeakPolarHBondContact O-CD1 3.43Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.96Å; L101-Q105 WeakPolarHBondContact O-CG 3.36Å; L101-Q105 PolarHBondContact O-N 3.28Å
102	I	80.4	Confident	90	Very high	23 Å²	23	55 Å²	55	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-44.3	174.8	-68	165.5	0	0	0	110.1	F23 V98 E99 D100 Q104 Q105 I106 W185 L358	F23-I102 HydrophobicContact CD1-CG2 3.82Å; F23-I102 HydrophobicContact CE1-CG2 4.08Å; V98-I102 HydrophobicContact CG1-CD1 3.78Å; V98-I102 HydrophobicContact CG1-CG1 4.44Å; V98-I102 WeakPolarHBondContact O-CD1 3.24Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.19Å; V98-I102 PolarHBondContact O-N 2.89Å; V98-I102 VanDerWaalsContact O-N 3.11Å; E99-I102 PolarHBondContact O-N 3.11Å; E99-I102 VanDerWaalsContact O-N 3.17Å; D100-I102 PolarHBondContact O-N 3.37Å; I102-Q104 VanDerWaalsContact C-N 3.35Å; I102-Q104 PolarHBondContact O-N 2.84Å; I102-Q105 PolarHBondContact O-N 3.32Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.91Å; I102-W185 HydrophobicContact CG2-CH2 4.5Å; I102-L358 HydrophobicContact CG1-CD2 3.75Å
103	Q	85.1	Confident	89.6	Confident	73 Å²	73	56.8 Å²	56.8	34%	0.341	33%	0.326	S	S	.	.	H	α-helix	trans	-57.4	-47.1	175.4	-66.6	-50.7	-40.6	0	0	111.6	F23 E99 D100 Q105 I106 S107	F23-Q103 VanDerWaalsContact CD1-NE2 3.33Å; E99-Q103 WeakPolarHBondContact O-CG 3.2Å; E99-Q103 PolarHBondContact O-N 2.9Å; D100-Q103 PolarHBondContact O-N 3.38Å; Q103-Q105 VanDerWaalsContact C-N 3.34Å; Q103-Q105 PolarHBondContact O-N 2.91Å; Q103-I106 WeakPolarHBondContact O-CG1 3.34Å; Q103-I106 PolarHBondContact O-N 3.38Å; Q103-S107 VanDerWaalsContact O-CB 3.24Å; Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.29Å; Q103-S107 PolarHBondContact O-OG 3.11Å
104	Q	87.1	Confident	89.2	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-58.2	-45.4	176.9	-74.1	172.7	30.7	0	0	111.5	D100 I102 I106 S107	D100-Q104 WeakPolarHBondContact O-CB 3.19Å; D100-Q104 VanDerWaalsContact O-CG 3.29Å; D100-Q104 WeakPolarHBondContact O-CG 3.42Å; D100-Q104 PolarHBondContact O-N 3.36Å; D100-Q104 PolarHBondContact OD1-NE2 2.67Å; D100-Q104 PolarHBondContact OD2-NE2 3.43Å; I102-Q104 VanDerWaalsContact C-N 3.35Å; I102-Q104 PolarHBondContact O-N 2.84Å; Q104-I106 PolarHBondContact O-N 3Å; Q104-S107 PolarHBondContact O-N 3.09Å; Q104-S107 PolarHBondContact O-OG 3.1Å
105	Q	82.8	Confident	88.2	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-32	-179.7	-74.5	-173.3	-41.2	0	0	114	L101 I102 Q103 Y123 W185 L358 L359	L101-Q105 WeakPolarHBondContact O-CG 3.36Å; L101-Q105 PolarHBondContact O-N 3.28Å; I102-Q105 PolarHBondContact O-N 3.32Å; Q103-Q105 VanDerWaalsContact C-N 3.34Å; Q103-Q105 PolarHBondContact O-N 2.91Å; Q105-Y123 HydrophobicContact CB-CD2 3.87Å; Q105-Y123 HydrophobicContact CB-CE2 4.41Å; Q105-Y123 HydrophobicContact CG-CD2 3.8Å; Q105-Y123 HydrophobicContact CG-CE2 3.83Å; Q105-Y123 VanDerWaalsContact NE2-CE2 3.31Å; Q105-W185 HydrophobicContact CB-CE3 3.79Å; Q105-W185 HydrophobicContact CB-CZ3 3.59Å; Q105-W185 HydrophobicContact CG-CE3 4.46Å; Q105-L358 VanDerWaalsContact OE1-CD2 3.3Å; Q105-L359 PolarHBondContact NE2-O 3.48Å
106	I	82.4	Confident	87.7	Confident	67 Å²	67	58.8 Å²	58.8	34%	0.344	34%	0.338	S	S	.	.	H	α-helix	trans	-88.4	-22.4	177.6	66.7	178.8	0	0	0	113.8	F23 I102 Q103 Q104 N108 D109 W185	F23-I106 HydrophobicContact CE1-CD1 3.74Å; F23-I106 HydrophobicContact CZ-CD1 3.81Å; I102-I106 WeakPolarHBondContact O-CG1 3.3Å; I102-I106 PolarHBondContact O-N 2.91Å; Q103-I106 WeakPolarHBondContact O-CG1 3.34Å; Q103-I106 PolarHBondContact O-N 3.38Å; Q104-I106 PolarHBondContact O-N 3Å; I106-N108 PolarHBondContact O-N 3.03Å; I106-N108 VanDerWaalsContact O-N 3.12Å; I106-D109 PolarHBondContact O-N 2.96Å; I106-W185 HydrophobicContact CG2-CH2 3.46Å; I106-W185 VanDerWaalsContact CG2-CH2 3.46Å; I106-W185 HydrophobicContact CG2-CZ3 3.53Å
107	S	88.2	Confident	86.8	Confident	81 Å²	81	59 Å²	59	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-61.3	-24.2	-172	65.2	0	0	0	0	115.1	Q103 Q104	Q103-S107 VanDerWaalsContact O-CB 3.24Å; Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.29Å; Q103-S107 PolarHBondContact O-OG 3.11Å; Q104-S107 PolarHBondContact O-N 3.09Å; Q104-S107 PolarHBondContact O-OG 3.1Å
108	N	89.8	Confident	86.6	Confident	47 Å²	47	58 Å²	58	25%	0.251	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.7	-173.6	-76.4	-31.4	0	0	0	115.2	I106 T110 V111 Q122 E361	I106-N108 PolarHBondContact O-N 3.03Å; I106-N108 VanDerWaalsContact O-N 3.12Å; N108-T110 PolarHBondContact O-N 3.06Å; N108-V111 HydrophobicContact CB-CG1 3.98Å; N108-V111 WeakPolarHBondContact O-CG1 3.37Å; N108-V111 PolarHBondContact O-N 2.97Å; N108-Q122 HydrophobicContact CB-CG 4.14Å; N108-E361 PolarHBondContact ND2-OE2 3.3Å
109	D	86	Confident	86.7	Confident	30 Å²	30	57.8 Å²	57.8	16%	0.16	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-43.7	-172.2	-176.5	29	0	0	0	114.2	I106 H124 S125 E128	I106-D109 PolarHBondContact O-N 2.96Å; D109-H124 PolarHBondContact O-CE1 3.46Å; D109-H124 VanDerWaalsContact O-CE1 3.3Å; D109-H124 PolarHBondContact O-ND1 2.82Å; D109-H124 WeakPolarHBondContact OD1-CA 3.43Å; D109-H124 IonicContact OD1-CG 3.02Å; D109-H124 IonicContact OD1-ND1 3.21Å; D109-S125 PolarHBondContact OD1-N 3.33Å; D109-S125 PolarHBondContact OD1-OG 2.75Å; D109-S125 VanDerWaalsContact OD2-CB 3.23Å; D109-S125 WeakPolarHBondContact OD2-CB 3.35Å; D109-S125 PolarHBondContact OD2-OG 3.37Å; D109-E128 VanDerWaalsContact OD1-CB 3.23Å; D109-E128 WeakPolarHBondContact OD1-CB 3.35Å; D109-E128 WeakPolarHBondContact OD1-CG 3.41Å
110	T	91.3	Very high	86.7	Confident	110 Å²	110	56.2 Å²	56.2	68%	0.675	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	10.2	-175	56.3	0	0	0	0	114.6	N108	N108-T110 PolarHBondContact O-N 3.06Å
111	V	93.8	Very high	86.9	Confident	89 Å²	89	55 Å²	55	54%	0.539	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-28.4	-172.1	83	0	0	0	0	113.7	N108	N108-V111 HydrophobicContact CB-CG1 3.98Å; N108-V111 WeakPolarHBondContact O-CG1 3.37Å; N108-V111 PolarHBondContact O-N 2.97Å
112	S	92.5	Very high	87.1	Confident	15 Å²	15	54.5 Å²	54.5	11%	0.105	32%	0.318	C	S	.	.	S	Bend	trans	-101.2	139.2	-179.1	-70	0	0	0	0	112.5	R114 S118 Y119 Q122	S112-R114 PolarHBondContact O-N 2.94Å; S112-S118 WeakPolarHBondContact OG-CB 3.41Å; S112-S118 PolarHBondContact OG-OG 2.64Å; S112-Y119 PolarHBondContact OG-N 3.02Å; S112-Q122 PolarHBondContact OG-NE2 3.37Å; S112-Q122 PolarHBondContact OG-OE1 2.88Å
113	P	89.4	Confident	87.6	Confident	95 Å²	95	53.8 Å²	53.8	62%	0.617	31%	0.314	S	S	*	.			trans	-62.2	129.2	165.7	-20.5	32.4	0	0	0	110.9	A115 S116	P113-A115 PolarHBondContact O-N 2.83Å; P113-S116 VanDerWaalsContact O-CB 3.25Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.22Å; P113-S116 PolarHBondContact O-OG 3.2Å
114	R	89.1	Confident	87.9	Confident	85 Å²	85	51.5 Å²	51.5	32%	0.321	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-24.9	176.9	-62.6	173.3	-171.7	132	13.8	114.9	S112 S116 Y119 E128 S131 F135	S112-R114 PolarHBondContact O-N 2.94Å; R114-S116 VanDerWaalsContact C-N 3.34Å; R114-Y119 HydrophobicContact CB-CD2 4.47Å; R114-Y119 HydrophobicContact CB-CE2 4.36Å; R114-Y119 HydrophobicContact CG-CD2 4.18Å; R114-Y119 HydrophobicContact CG-CE2 3.68Å; R114-E128 WeakPolarHBondContact CG-OE1 3.46Å; R114-E128 IonicContact CZ-OE1 3.43Å; R114-E128 IonicContact CZ-OE2 2.68Å; R114-E128 IonicContact NE-OE1 3.49Å; R114-E128 PolarHBondContact NE-OE1 2.78Å; R114-E128 IonicContact NE-OE2 3.53Å; R114-E128 IonicContact NH2-OE1 2.71Å; R114-E128 PolarHBondContact NH2-OE1 3.46Å; R114-E128 IonicContact NH2-OE2 2.7Å; R114-E128 PolarHBondContact NH2-OE2 3.16Å; R114-S131 VanDerWaalsContact NH2-CB 3.33Å; R114-F135 HydrophobicContact CB-CD1 3.63Å; R114-F135 HydrophobicContact CB-CE1 3.7Å; R114-F135 HydrophobicContact CB-CG 4.15Å; R114-F135 HydrophobicContact CB-CZ 4.26Å; R114-F135 WeakPolarHBondContact O-CE1 3.35Å
115	A	76.8	Confident	88	Confident	51 Å²	51	49 Å²	49	42%	0.421	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.8	178.5	0	0	0	0	0	114.8	P113 F135 R139	P113-A115 PolarHBondContact O-N 2.83Å; A115-F135 HydrophobicContact CB-CE2 4.4Å; A115-F135 HydrophobicContact CB-CZ 3.7Å; A115-R139 PolarHBondContact O-NH1 2.89Å
116	S	83.3	Confident	88.1	Confident	35 Å²	35	48.9 Å²	48.9	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-91.1	162.8	-170.9	76.3	0	0	0	0	113.3	P113 R114 S118 Y119 Y120	P113-S116 VanDerWaalsContact O-CB 3.25Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.22Å; P113-S116 PolarHBondContact O-OG 3.2Å; R114-S116 VanDerWaalsContact C-N 3.34Å; S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact OG-N 3.1Å; S116-Y119 PolarHBondContact OG-N 3.3Å; S116-Y120 VanDerWaalsContact O-CD2 3.23Å; S116-Y120 WeakPolarHBondContact O-CD2 3.45Å; S116-Y120 VanDerWaalsContact O-CE2 3.26Å; S116-Y120 WeakPolarHBondContact O-CE2 3.45Å
117	A	77.3	Confident	88.4	Confident	72 Å²	72	50.8 Å²	50.8	60%	0.595	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.8	172.1	0	0	0	0	0	113.1	Y119 Y120	A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 3.41Å; A117-Y120 PolarHBondContact O-N 3.3Å
118	S	89.8	Confident	88.6	Confident	62 Å²	62	47.5 Å²	47.5	43%	0.434	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.4	-176.1	-163.2	0	0	0	0	113.1	S112 S116 Y120 E121 Q122	S112-S118 WeakPolarHBondContact OG-CB 3.41Å; S112-S118 PolarHBondContact OG-OG 2.64Å; S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact OG-N 3.1Å; S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 PolarHBondContact O-N 2.9Å; S118-E121 PolarHBondContact O-N 3.47Å; S118-Q122 PolarHBondContact O-OE1 2.88Å
119	Y	91.5	Very high	88.7	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.1	-50.2	173.4	-175.6	-95.7	0	0	0	111.2	S112 R114 S116 A117 E121 Q122 H124 E128 W132 L192	S112-Y119 PolarHBondContact OG-N 3.02Å; R114-Y119 HydrophobicContact CB-CD2 4.47Å; R114-Y119 HydrophobicContact CB-CE2 4.36Å; R114-Y119 HydrophobicContact CG-CD2 4.18Å; R114-Y119 HydrophobicContact CG-CE2 3.68Å; S116-Y119 PolarHBondContact OG-N 3.3Å; A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 3.41Å; Y119-E121 PolarHBondContact O-N 3.45Å; Y119-Q122 PolarHBondContact O-N 2.73Å; Y119-Q122 VanDerWaalsContact O-N 3.17Å; Y119-H124 AromaticContact CD1-NE2 3.72Å; Y119-H124 AromaticContact CD2-CE1 3.39Å; Y119-H124 WeakPolarHBondContact CD2-CE1 3.12Å; Y119-H124 AromaticContact CD2-NE2 3.52Å; Y119-H124 AromaticContact CE1-CD2 3.87Å; Y119-H124 AromaticContact CE1-NE2 3.65Å; Y119-H124 AromaticContact CE2-CE1 3.21Å; Y119-H124 WeakPolarHBondContact CE2-CE1 3.09Å; Y119-H124 AromaticContact CE2-ND1 3.65Å; Y119-H124 AromaticContact CE2-NE2 3.45Å; Y119-H124 WeakPolarHBondContact CE2-NE2 3.04Å; Y119-H124 AromaticContact CG-CE1 4Å; Y119-H124 AromaticContact CG-NE2 3.64Å; Y119-H124 AromaticContact CZ-CD2 3.7Å; Y119-H124 AromaticContact CZ-CE1 3.67Å; Y119-H124 AromaticContact CZ-CG 3.94Å; Y119-H124 AromaticContact CZ-ND1 3.91Å; Y119-H124 AromaticContact CZ-NE2 3.5Å; Y119-H124 PolarHBondContact O-NE2 3.47Å; Y119-E128 HydrophobicContact CE2-CG 4.19Å; Y119-E128 WeakPolarHBondContact CE2-OE1 3.11Å; Y119-E128 WeakPolarHBondContact OH-CG 3.32Å; Y119-E128 PolarHBondContact OH-OE1 3.4Å; Y119-W132 HydrophobicContact CE1-CB 4.19Å; Y119-W132 AromaticContact CE1-CD1 3.28Å; Y119-W132 AromaticContact CE1-CG 3.8Å; Y119-W132 HydrophobicContact CE1-CG 3.8Å; Y119-W132 AromaticContact CE1-NE1 3.86Å; Y119-W132 AromaticContact CZ-CD1 3.9Å; Y119-W132 VanDerWaalsContact OH-CB 3.23Å; Y119-W132 WeakPolarHBondContact OH-CB 3.43Å; Y119-L192 HydrophobicContact CE1-CD2 3.67Å
120	Y	87	Confident	89	Confident	41 Å²	41	45.3 Å²	45.3	16%	0.161	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-69.1	5.3	178.1	-54.7	-87.7	0	0	0	113.9	S116 A117 S118 W132 L192 W193 I364	S116-Y120 VanDerWaalsContact O-CD2 3.23Å; S116-Y120 WeakPolarHBondContact O-CD2 3.45Å; S116-Y120 VanDerWaalsContact O-CE2 3.26Å; S116-Y120 WeakPolarHBondContact O-CE2 3.45Å; A117-Y120 PolarHBondContact O-N 3.3Å; S118-Y120 VanDerWaalsContact C-N 3.34Å; S118-Y120 PolarHBondContact O-N 2.9Å; Y120-W132 AromaticContact CE1-CZ2 3.99Å; Y120-W132 HydrophobicContact CE1-CZ2 3.99Å; Y120-W132 AromaticContact CE1-NE1 3.53Å; Y120-W132 AromaticContact CZ-NE1 3.52Å; Y120-W132 PolarHBondContact OH-NE1 2.93Å; Y120-L192 HydrophobicContact CD1-CB 4.32Å; Y120-W193 PolarHBondContact O-NE1 2.82Å; Y120-I364 WeakPolarHBondContact O-CG2 3.45Å
121	E	92.6	Very high	89.2	Confident	49 Å²	49	41.8 Å²	41.8	23%	0.229	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-114.9	18.7	177.9	-60.3	-178.3	-158.6	0	0	111.5	S118 Y119 K365	S118-E121 PolarHBondContact O-N 3.47Å; Y119-E121 PolarHBondContact O-N 3.45Å; E121-K365 HydrophobicContact CG-CB 3.99Å; E121-K365 HydrophobicContact CG-CG 4.25Å; E121-K365 WeakPolarHBondContact OE1-CE 3.49Å; E121-K365 IonicContact OE1-NZ 3.54Å; E121-K365 PolarHBondContact OE1-NZ 2.77Å; E121-K365 WeakPolarHBondContact OE2-CD 3.28Å; E121-K365 IonicContact OE2-NZ 3.04Å; E121-K365 PolarHBondContact OE2-NZ 2.91Å
122	Q	92.9	Very high	89.2	Confident	17 Å²	17	37.5 Å²	37.5	8%	0.079	22%	0.223	C	C	.	.	S	Bend	trans	-132	168.1	-176.6	-72.2	162.3	-22.1	0	0	112.4	N108 S112 S118 Y119 E361	N108-Q122 HydrophobicContact CB-CG 4.14Å; S112-Q122 PolarHBondContact OG-NE2 3.37Å; S112-Q122 PolarHBondContact OG-OE1 2.88Å; S118-Q122 PolarHBondContact O-OE1 2.88Å; Y119-Q122 PolarHBondContact O-N 2.73Å; Y119-Q122 VanDerWaalsContact O-N 3.17Å; Q122-E361 WeakPolarHBondContact CA-OE1 3.46Å; Q122-E361 WeakPolarHBondContact CB-OE1 3.3Å
123	Y	91.3	Very high	89.1	Confident	8 Å²	8	36.8 Å²	36.8	3%	0.031	22%	0.218	C	C	.	.			trans	-92.7	146.8	167.8	-63.6	-54	0	0	0	111.7	Q105 W185 A189 L359 E361 I364	Q105-Y123 HydrophobicContact CB-CD2 3.87Å; Q105-Y123 HydrophobicContact CB-CE2 4.41Å; Q105-Y123 HydrophobicContact CG-CD2 3.8Å; Q105-Y123 HydrophobicContact CG-CE2 3.83Å; Q105-Y123 VanDerWaalsContact NE2-CE2 3.31Å; Y123-W185 HydrophobicContact CD1-CB 3.81Å; Y123-W185 VanDerWaalsContact CD1-O 3.28Å; Y123-W185 WeakPolarHBondContact CD1-O 3.44Å; Y123-W185 HydrophobicContact CD2-CE3 4.39Å; Y123-W185 HydrophobicContact CE1-CB 3.86Å; Y123-W185 WeakPolarHBondContact CE1-O 3.35Å; Y123-W185 HydrophobicContact CG-CB 4.21Å; Y123-W185 HydrophobicContact CG-CE3 4.37Å; Y123-A189 HydrophobicContact CD1-CB 3.79Å; Y123-A189 HydrophobicContact CE1-CB 3.69Å; Y123-L359 VanDerWaalsContact CE2-O 3.27Å; Y123-L359 WeakPolarHBondContact CE2-O 3.42Å; Y123-L359 PolarHBondContact OH-O 2.97Å; Y123-E361 HydrophobicContact CD2-CG 3.8Å; Y123-E361 HydrophobicContact CE2-CG 3.9Å; Y123-E361 PolarHBondContact N-OE1 2.74Å; Y123-E361 VanDerWaalsContact N-OE1 3.08Å; Y123-I364 HydrophobicContact CD1-CD1 3.9Å; Y123-I364 HydrophobicContact CD2-CD1 4.35Å; Y123-I364 HydrophobicContact CE1-CD1 3.48Å; Y123-I364 VanDerWaalsContact CE1-CD1 3.48Å; Y123-I364 HydrophobicContact CE1-CG1 3.82Å; Y123-I364 HydrophobicContact CE2-CD1 4.04Å; Y123-I364 HydrophobicContact CG-CD1 4.29Å
124	H	90.8	Very high	89.3	Confident	24 Å²	24	35.3 Å²	35.3	11%	0.111	20%	0.202	C	C	.	.			trans	-132.9	143.8	-177.3	-62.9	-63.9	0	0	0	112.8	D109 Y119 E128 I129 L192	D109-H124 PolarHBondContact O-CE1 3.46Å; D109-H124 VanDerWaalsContact O-CE1 3.3Å; D109-H124 PolarHBondContact O-ND1 2.82Å; D109-H124 WeakPolarHBondContact OD1-CA 3.43Å; D109-H124 IonicContact OD1-CG 3.02Å; D109-H124 IonicContact OD1-ND1 3.21Å; Y119-H124 AromaticContact CD1-NE2 3.72Å; Y119-H124 AromaticContact CD2-CE1 3.39Å; Y119-H124 WeakPolarHBondContact CD2-CE1 3.12Å; Y119-H124 AromaticContact CD2-NE2 3.52Å; Y119-H124 AromaticContact CE1-CD2 3.87Å; Y119-H124 AromaticContact CE1-NE2 3.65Å; Y119-H124 AromaticContact CE2-CE1 3.21Å; Y119-H124 WeakPolarHBondContact CE2-CE1 3.09Å; Y119-H124 AromaticContact CE2-ND1 3.65Å; Y119-H124 AromaticContact CE2-NE2 3.45Å; Y119-H124 WeakPolarHBondContact CE2-NE2 3.04Å; Y119-H124 AromaticContact CG-CE1 4Å; Y119-H124 AromaticContact CG-NE2 3.64Å; Y119-H124 AromaticContact CZ-CD2 3.7Å; Y119-H124 AromaticContact CZ-CE1 3.67Å; Y119-H124 AromaticContact CZ-CG 3.94Å; Y119-H124 AromaticContact CZ-ND1 3.91Å; Y119-H124 AromaticContact CZ-NE2 3.5Å; Y119-H124 PolarHBondContact O-NE2 3.47Å; H124-E128 HydrophobicContact CB-CB 4.29Å; H124-E128 HydrophobicContact CB-CG 4.04Å; H124-I129 HydrophobicContact CB-CD1 3.91Å; H124-I129 HydrophobicContact CB-CG1 3.62Å; H124-L192 HydrophobicContact CB-CD2 4.4Å
125	S	89.9	Confident	89.4	Confident	44 Å²	44	33.7 Å²	33.7	31%	0.308	20%	0.198	S	C	.	.			trans	-69.2	159.7	173.4	67.2	0	0	0	0	111.5	D109 N127 E128 I129	D109-S125 PolarHBondContact OD1-N 3.33Å; D109-S125 PolarHBondContact OD1-OG 2.75Å; D109-S125 VanDerWaalsContact OD2-CB 3.23Å; D109-S125 WeakPolarHBondContact OD2-CB 3.35Å; D109-S125 PolarHBondContact OD2-OG 3.37Å; S125-N127 PolarHBondContact O-N 2.67Å; S125-E128 PolarHBondContact O-N 3.36Å; S125-E128 WeakPolarHBondContact OG-CB 3.43Å; S125-E128 PolarHBondContact OG-N 3.27Å; S125-I129 WeakPolarHBondContact O-CG1 3.25Å; S125-I129 PolarHBondContact O-N 2.94Å
126	L	83.4	Confident	89.8	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-40.7	176.3	168.6	57.2	0	0	0	112.4	L14 F15 C16 I129 Y130 Y156	L14-L126 HydrophobicContact CB-CB 4.13Å; L14-L126 HydrophobicContact CB-CD1 3.27Å; L14-L126 HydrophobicContact CB-CD2 4.44Å; L14-L126 HydrophobicContact CB-CG 4.1Å; L14-L126 HydrophobicContact CD1-CD1 4.11Å; L14-L126 HydrophobicContact CG-CD1 4.31Å; L14-L126 WeakPolarHBondContact O-CD2 3.45Å; F15-L126 WeakPolarHBondContact O-CB 3.48Å; C16-L126 HydrophobicContact CB-CB 4.09Å; C16-L126 HydrophobicContact CB-CD2 3.98Å; L126-I129 PolarHBondContact O-N 3.34Å; L126-Y130 HydrophobicContact CD1-CD1 4.22Å; L126-Y130 HydrophobicContact CD1-CD2 3.65Å; L126-Y130 HydrophobicContact CD1-CE1 3.89Å; L126-Y130 HydrophobicContact CD1-CE2 3.28Å; L126-Y130 HydrophobicContact CD1-CG 4.09Å; L126-Y130 HydrophobicContact CD2-CD2 4.44Å; L126-Y130 HydrophobicContact CD2-CE2 3.65Å; L126-Y130 HydrophobicContact CG-CD2 3.8Å; L126-Y130 HydrophobicContact CG-CE2 3.46Å; L126-Y130 VanDerWaalsContact CG-CE2 3.46Å; L126-Y130 PolarHBondContact O-N 2.63Å; L126-Y156 HydrophobicContact CD2-CD1 3.95Å; L126-Y156 HydrophobicContact CD2-CD2 4.27Å; L126-Y156 HydrophobicContact CD2-CE1 4.17Å; L126-Y156 HydrophobicContact CD2-CE2 4.47Å; L126-Y156 HydrophobicContact CD2-CG 4.02Å
127	N	89.9	Confident	89.9	Confident	106 Å²	106	30.7 Å²	30.7	57%	0.567	17%	0.173	S	C	*	.	H	α-helix	trans	-67.8	-39.1	-177.9	-174.9	81.9	0	0	0	112.1	S125 I129 Y130 S131	S125-N127 PolarHBondContact O-N 2.67Å; N127-I129 VanDerWaalsContact C-N 3.34Å; N127-Y130 PolarHBondContact O-N 3.3Å; N127-S131 WeakPolarHBondContact O-CB 3.32Å; N127-S131 PolarHBondContact O-N 2.98Å; N127-S131 PolarHBondContact O-OG 2.91Å
128	E	93.1	Very high	90.4	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-39.3	173	179.9	48.1	-139.5	0	0	111.1	D109 R114 Y119 H124 S125 S131 W132	D109-E128 VanDerWaalsContact OD1-CB 3.23Å; D109-E128 WeakPolarHBondContact OD1-CB 3.35Å; D109-E128 WeakPolarHBondContact OD1-CG 3.41Å; R114-E128 WeakPolarHBondContact CG-OE1 3.46Å; R114-E128 IonicContact CZ-OE1 3.43Å; R114-E128 IonicContact CZ-OE2 2.68Å; R114-E128 IonicContact NE-OE1 3.49Å; R114-E128 PolarHBondContact NE-OE1 2.78Å; R114-E128 IonicContact NE-OE2 3.53Å; R114-E128 IonicContact NH2-OE1 2.71Å; R114-E128 PolarHBondContact NH2-OE1 3.46Å; R114-E128 IonicContact NH2-OE2 2.7Å; R114-E128 PolarHBondContact NH2-OE2 3.16Å; Y119-E128 HydrophobicContact CE2-CG 4.19Å; Y119-E128 WeakPolarHBondContact CE2-OE1 3.11Å; Y119-E128 WeakPolarHBondContact OH-CG 3.32Å; Y119-E128 PolarHBondContact OH-OE1 3.4Å; H124-E128 HydrophobicContact CB-CB 4.29Å; H124-E128 HydrophobicContact CB-CG 4.04Å; S125-E128 PolarHBondContact O-N 3.36Å; S125-E128 WeakPolarHBondContact OG-CB 3.43Å; S125-E128 PolarHBondContact OG-N 3.27Å; E128-S131 CarbonylContact O-C 3.59Å; E128-S131 WeakPolarHBondContact O-CB 3.36Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-W132 PolarHBondContact O-N 3.04Å
129	I	91.8	Very high	90	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-38.9	176.2	-68.4	179.8	0	0	0	112.5	I12 L14 H124 S125 L126 N127 S131 W132 I133 P188 L192	I12-I129 HydrophobicContact CG2-CG2 3.72Å; L14-I129 HydrophobicContact CD1-CB 3.79Å; L14-I129 HydrophobicContact CD1-CD1 3.37Å; L14-I129 HydrophobicContact CD1-CG1 4.12Å; L14-I129 HydrophobicContact CD1-CG2 3.46Å; L14-I129 VanDerWaalsContact CD1-CG2 3.46Å; H124-I129 HydrophobicContact CB-CD1 3.91Å; H124-I129 HydrophobicContact CB-CG1 3.62Å; S125-I129 WeakPolarHBondContact O-CG1 3.25Å; S125-I129 PolarHBondContact O-N 2.94Å; L126-I129 PolarHBondContact O-N 3.34Å; N127-I129 VanDerWaalsContact C-N 3.34Å; I129-S131 VanDerWaalsContact C-N 3.33Å; I129-W132 PolarHBondContact O-N 2.69Å; I129-I133 HydrophobicContact CG2-CD1 4.34Å; I129-I133 WeakPolarHBondContact O-CG1 3.12Å; I129-I133 PolarHBondContact O-N 3.46Å; I129-P188 HydrophobicContact CD1-CB 3.95Å; I129-L192 HydrophobicContact CB-CD1 4.26Å; I129-L192 HydrophobicContact CD1-CD1 3.7Å; I129-L192 HydrophobicContact CD1-CD2 4.14Å; I129-L192 HydrophobicContact CG1-CD1 3.74Å; I129-L192 HydrophobicContact CG1-CD2 3.81Å; I129-L192 HydrophobicContact CG1-CG 4.39Å; I129-L192 HydrophobicContact CG2-CD1 3.67Å
130	Y	92.1	Very high	89.4	Confident	30 Å²	30	40.3 Å²	40.3	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-42.4	168.9	-76.1	-42	0	0	0	111.6	L126 N127 W132 I133 E134 Y156 P157 Y159	L126-Y130 HydrophobicContact CD1-CD1 4.22Å; L126-Y130 HydrophobicContact CD1-CD2 3.65Å; L126-Y130 HydrophobicContact CD1-CE1 3.89Å; L126-Y130 HydrophobicContact CD1-CE2 3.28Å; L126-Y130 HydrophobicContact CD1-CG 4.09Å; L126-Y130 HydrophobicContact CD2-CD2 4.44Å; L126-Y130 HydrophobicContact CD2-CE2 3.65Å; L126-Y130 HydrophobicContact CG-CD2 3.8Å; L126-Y130 HydrophobicContact CG-CE2 3.46Å; L126-Y130 VanDerWaalsContact CG-CE2 3.46Å; L126-Y130 PolarHBondContact O-N 2.63Å; N127-Y130 PolarHBondContact O-N 3.3Å; Y130-W132 PolarHBondContact O-N 2.85Å; Y130-I133 HydrophobicContact CD1-CD1 4.08Å; Y130-I133 WeakPolarHBondContact O-CB 3.36Å; Y130-I133 PolarHBondContact O-N 2.85Å; Y130-I133 VanDerWaalsContact O-N 3.12Å; Y130-E134 PolarHBondContact O-N 3.34Å; Y130-Y156 AromaticContact CE2-CD1 3.93Å; Y130-Y156 HydrophobicContact CE2-CD1 3.93Å; Y130-Y156 WeakPolarHBondContact OH-CB 3.48Å; Y130-P157 HydrophobicContact CE1-CG 3.9Å; Y130-P157 WeakPolarHBondContact CE1-O 3.38Å; Y130-P157 HydrophobicContact CE2-CG 4.28Å; Y130-P157 WeakPolarHBondContact OH-CD 3.37Å; Y130-P157 PolarHBondContact OH-O 2.78Å; Y130-Y159 AromaticContact CD1-CD2 3.8Å; Y130-Y159 HydrophobicContact CD1-CD2 3.8Å; Y130-Y159 AromaticContact CD1-CE2 3.74Å; Y130-Y159 HydrophobicContact CD1-CE2 3.74Å; Y130-Y159 AromaticContact CE1-CD2 3.69Å; Y130-Y159 HydrophobicContact CE1-CD2 3.69Å; Y130-Y159 AromaticContact CE1-CE2 3.76Å; Y130-Y159 HydrophobicContact CE1-CE2 3.76Å
131	S	93.9	Very high	89.5	Confident	36 Å²	36	43 Å²	43	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-63.2	-32.1	177.6	-56.2	0	0	0	0	112.5	R114 N127 E128 I129 F135	R114-S131 VanDerWaalsContact NH2-CB 3.33Å; N127-S131 WeakPolarHBondContact O-CB 3.32Å; N127-S131 PolarHBondContact O-N 2.98Å; N127-S131 PolarHBondContact O-OG 2.91Å; E128-S131 CarbonylContact O-C 3.59Å; E128-S131 WeakPolarHBondContact O-CB 3.36Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; I129-S131 VanDerWaalsContact C-N 3.33Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 2.98Å
132	W	94.4	Very high	88.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-76.7	-33.1	172	168.6	98.3	0	0	0	113.4	I12 Y119 Y120 E128 I129 Y130 E134 F135 I136 L161 L192 I195	I12-W132 HydrophobicContact CD1-CH2 4.41Å; I12-W132 HydrophobicContact CD1-CZ3 3.65Å; Y119-W132 HydrophobicContact CE1-CB 4.19Å; Y119-W132 AromaticContact CE1-CD1 3.28Å; Y119-W132 AromaticContact CE1-CG 3.8Å; Y119-W132 HydrophobicContact CE1-CG 3.8Å; Y119-W132 AromaticContact CE1-NE1 3.86Å; Y119-W132 AromaticContact CZ-CD1 3.9Å; Y119-W132 VanDerWaalsContact OH-CB 3.23Å; Y119-W132 WeakPolarHBondContact OH-CB 3.43Å; Y120-W132 AromaticContact CE1-CZ2 3.99Å; Y120-W132 HydrophobicContact CE1-CZ2 3.99Å; Y120-W132 AromaticContact CE1-NE1 3.53Å; Y120-W132 AromaticContact CZ-NE1 3.52Å; Y120-W132 PolarHBondContact OH-NE1 2.93Å; E128-W132 PolarHBondContact O-N 3.04Å; I129-W132 PolarHBondContact O-N 2.69Å; Y130-W132 PolarHBondContact O-N 2.85Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.12Å; W132-F135 PolarHBondContact O-N 2.79Å; W132-I136 HydrophobicContact CD2-CB 4.42Å; W132-I136 HydrophobicContact CD2-CG2 4.25Å; W132-I136 HydrophobicContact CE3-CG2 4.33Å; W132-I136 HydrophobicContact CH2-CG2 4.21Å; W132-I136 HydrophobicContact CZ2-CB 4.33Å; W132-I136 HydrophobicContact CZ2-CG1 4.18Å; W132-I136 HydrophobicContact CZ2-CG2 4.1Å; W132-I136 HydrophobicContact CZ3-CG2 4.29Å; W132-I136 WeakPolarHBondContact O-CB 3.4Å; W132-I136 VanDerWaalsContact O-CG2 3.26Å; W132-I136 WeakPolarHBondContact O-CG2 3.4Å; W132-I136 PolarHBondContact O-N 3.04Å; W132-L161 HydrophobicContact CH2-CD1 4.42Å; W132-L161 HydrophobicContact CZ3-CD1 4.17Å; W132-L192 HydrophobicContact CD2-CD2 4.48Å; W132-L192 HydrophobicContact CD2-CG 3.94Å; W132-L192 HydrophobicContact CE3-CD1 4.07Å; W132-L192 HydrophobicContact CE3-CG 3.88Å; W132-L192 HydrophobicContact CH2-CB 4.3Å; W132-L192 HydrophobicContact CH2-CD1 4.35Å; W132-L192 HydrophobicContact CH2-CG 4.02Å; W132-L192 HydrophobicContact CZ2-CB 4.23Å; W132-L192 HydrophobicContact CZ2-CG 4.09Å; W132-L192 VanDerWaalsContact CZ2-O 3.27Å; W132-L192 WeakPolarHBondContact CZ2-O 3.28Å; W132-L192 HydrophobicContact CZ3-CD1 3.95Å; W132-L192 HydrophobicContact CZ3-CG 3.94Å; W132-I195 HydrophobicContact CH2-CB 3.68Å; W132-I195 HydrophobicContact CH2-CD1 3.82Å; W132-I195 HydrophobicContact CH2-CG1 4.02Å; W132-I195 HydrophobicContact CH2-CG2 4.24Å; W132-I195 HydrophobicContact CZ2-CB 3.89Å; W132-I195 HydrophobicContact CZ2-CG2 4.23Å; W132-I195 HydrophobicContact CZ3-CD1 4.49Å
133	I	89.9	Confident	88	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-44.9	173.8	-81.1	167.1	0	0	0	111	I12 I129 Y130 T137 K146 Y159 L161	I12-I133 HydrophobicContact CB-CD1 3.97Å; I12-I133 HydrophobicContact CD1-CD1 3.73Å; I12-I133 HydrophobicContact CD1-CG1 3.79Å; I12-I133 HydrophobicContact CG1-CD1 4.4Å; I12-I133 HydrophobicContact CG2-CD1 3.99Å; I129-I133 HydrophobicContact CG2-CD1 4.34Å; I129-I133 WeakPolarHBondContact O-CG1 3.12Å; I129-I133 PolarHBondContact O-N 3.46Å; Y130-I133 HydrophobicContact CD1-CD1 4.08Å; Y130-I133 WeakPolarHBondContact O-CB 3.36Å; Y130-I133 PolarHBondContact O-N 2.85Å; Y130-I133 VanDerWaalsContact O-N 3.12Å; I133-T137 WeakPolarHBondContact O-CB 3.21Å; I133-T137 VanDerWaalsContact O-CG2 3.31Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 3.12Å; I133-T137 PolarHBondContact O-OG1 2.97Å; I133-K146 HydrophobicContact CG2-CD 3.55Å; I133-K146 HydrophobicContact CG2-CG 4.04Å; I133-Y159 HydrophobicContact CD1-CD2 4.08Å; I133-Y159 HydrophobicContact CG2-CD2 4.12Å; I133-Y159 HydrophobicContact CG2-CG 4.5Å; I133-L161 HydrophobicContact CG1-CD1 4.23Å; I133-L161 HydrophobicContact CG2-CD2 4.27Å
134	E	93.5	Very high	87.6	Confident	63 Å²	63	47.3 Å²	47.3	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-58.3	174.3	-55.2	-50	143.2	0	0	110.2	Y130 W132 I136 T137 E138 K146	Y130-E134 PolarHBondContact O-N 3.34Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.12Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.42Å; E134-T137 PolarHBondContact O-N 3.03Å; E134-T137 VanDerWaalsContact O-N 3.12Å; E134-T137 PolarHBondContact O-OG1 3.36Å; E134-T137 VanDerWaalsContact O-OG1 3.1Å; E134-E138 WeakPolarHBondContact O-CG 3.26Å; E134-E138 PolarHBondContact O-N 3.36Å; E134-K146 IonicContact OE1-NZ 3.98Å; E134-K146 PolarHBondContact OE1-NZ 3.01Å; E134-K146 IonicContact OE2-NZ 3.63Å; E134-K146 PolarHBondContact OE2-NZ 3.05Å
135	F	92.6	Very high	87.3	Confident	52 Å²	52	49.8 Å²	49.8	23%	0.228	26%	0.256	C	S	.	.	H	α-helix	trans	-50.3	-46.1	-179	162.9	-99.3	0	0	0	113.7	R114 A115 S131 W132 R139	R114-F135 HydrophobicContact CB-CD1 3.63Å; R114-F135 HydrophobicContact CB-CE1 3.7Å; R114-F135 HydrophobicContact CB-CG 4.15Å; R114-F135 HydrophobicContact CB-CZ 4.26Å; R114-F135 WeakPolarHBondContact O-CE1 3.35Å; A115-F135 HydrophobicContact CB-CE2 4.4Å; A115-F135 HydrophobicContact CB-CZ 3.7Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 2.98Å; W132-F135 PolarHBondContact O-N 2.79Å; F135-R139 WeakPolarHBondContact O-CB 2.88Å; F135-R139 PolarHBondContact O-N 2.83Å
136	I	84.8	Confident	87.4	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-74.1	-33.2	-174.3	-156.5	63	0	0	0	111.4	W132 E134 R139 H140 L144 L161 I195	W132-I136 HydrophobicContact CD2-CB 4.42Å; W132-I136 HydrophobicContact CD2-CG2 4.25Å; W132-I136 HydrophobicContact CE3-CG2 4.33Å; W132-I136 HydrophobicContact CH2-CG2 4.21Å; W132-I136 HydrophobicContact CZ2-CB 4.33Å; W132-I136 HydrophobicContact CZ2-CG1 4.18Å; W132-I136 HydrophobicContact CZ2-CG2 4.1Å; W132-I136 HydrophobicContact CZ3-CG2 4.29Å; W132-I136 WeakPolarHBondContact O-CB 3.4Å; W132-I136 VanDerWaalsContact O-CG2 3.26Å; W132-I136 WeakPolarHBondContact O-CG2 3.4Å; W132-I136 PolarHBondContact O-N 3.04Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 3.42Å; I136-R139 PolarHBondContact O-N 2.92Å; I136-H140 PolarHBondContact O-N 3.4Å; I136-L144 HydrophobicContact CB-CD1 4.47Å; I136-L144 HydrophobicContact CG1-CD1 4.01Å; I136-L144 HydrophobicContact CG2-CD1 4.1Å; I136-L144 WeakPolarHBondContact O-CD1 3.48Å; I136-L161 HydrophobicContact CG2-CD1 4.09Å; I136-I195 HydrophobicContact CB-CG2 4.39Å; I136-I195 HydrophobicContact CG1-CG2 3.52Å; I136-I195 HydrophobicContact CG2-CG2 3.9Å
137	T	85.9	Confident	87.7	Confident	17 Å²	17	53.2 Å²	53.2	10%	0.104	27%	0.268	C	S	.	.	H	α-helix	trans	-78.1	-33.1	177.8	58.6	0	0	0	0	112.6	I133 E134 R139 L144 K146 L161	I133-T137 WeakPolarHBondContact O-CB 3.21Å; I133-T137 VanDerWaalsContact O-CG2 3.31Å; I133-T137 WeakPolarHBondContact O-CG2 3.49Å; I133-T137 PolarHBondContact O-N 3.12Å; I133-T137 PolarHBondContact O-OG1 2.97Å; E134-T137 PolarHBondContact O-N 3.03Å; E134-T137 VanDerWaalsContact O-N 3.12Å; E134-T137 PolarHBondContact O-OG1 3.36Å; E134-T137 VanDerWaalsContact O-OG1 3.1Å; T137-R139 VanDerWaalsContact C-N 3.34Å; T137-L144 HydrophobicContact CG2-CB 4.01Å; T137-L144 HydrophobicContact CG2-CD1 4.29Å; T137-K146 HydrophobicContact CG2-CB 4.24Å; T137-L161 HydrophobicContact CG2-CD1 4.27Å; T137-L161 HydrophobicContact CG2-CD2 3.62Å
138	E	87.9	Confident	87.9	Confident	149 Å²	149	53.3 Å²	53.3	70%	0.696	26%	0.264	S	S	*	.	H	α-helix	trans	-65.4	-34.7	166.7	-70.7	-178.9	164.5	0	0	112.5	E134 P141	E134-E138 WeakPolarHBondContact O-CG 3.26Å; E134-E138 PolarHBondContact O-N 3.36Å; E138-P141 WeakPolarHBondContact O-CD 3.23Å
139	R	81.3	Confident	87.7	Confident	119 Å²	119	53.6 Å²	53.6	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-76.7	-30.8	179.6	-168.5	-177.5	-169.3	-171.6	4.5	113.6	A115 F135 I136 T137 P141	A115-R139 PolarHBondContact O-NH1 2.89Å; F135-R139 WeakPolarHBondContact O-CB 2.88Å; F135-R139 PolarHBondContact O-N 2.83Å; I136-R139 PolarHBondContact O-N 2.92Å; T137-R139 VanDerWaalsContact C-N 3.34Å; R139-P141 VanDerWaalsContact C-CD 3.43Å
140	H	79.1	Confident	87.6	Confident	69 Å²	69	54.4 Å²	54.4	32%	0.319	28%	0.275	S	S	.	.			trans	-130.6	52.8	-176.4	-62	-63.5	0	0	0	113.8	I136 D142 M143 L144	I136-H140 PolarHBondContact O-N 3.4Å; H140-D142 PolarHBondContact O-N 2.8Å; H140-D142 VanDerWaalsContact O-N 3.16Å; H140-M143 PolarHBondContact O-N 2.82Å; H140-L144 HydrophobicContact CB-CD1 3.89Å; H140-L144 HydrophobicContact CB-CG 4Å; H140-L144 WeakPolarHBondContact O-CB 3.38Å; H140-L144 PolarHBondContact O-N 2.6Å
141	P	87.3	Confident	87.4	Confident	97 Å²	97	55.3 Å²	55.3	63%	0.63	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.3	-177.7	31.4	-37.5	0	0	0	113.2	E138 R139 M143	E138-P141 WeakPolarHBondContact O-CD 3.23Å; R139-P141 VanDerWaalsContact C-CD 3.43Å; P141-M143 VanDerWaalsContact C-N 3.33Å
142	D	79.6	Confident	86.7	Confident	73 Å²	73	53.7 Å²	53.7	39%	0.39	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7	173.6	68.8	-39.2	0	0	0	113.7	H140 K166	H140-D142 PolarHBondContact O-N 2.8Å; H140-D142 VanDerWaalsContact O-N 3.16Å; D142-K166 WeakPolarHBondContact OD2-CE 3.4Å; D142-K166 IonicContact OD2-NZ 2.71Å; D142-K166 PolarHBondContact OD2-NZ 3.32Å
143	M	74.6	Confident	85.7	Confident	82 Å²	82	57 Å²	57	40%	0.404	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-24.4	178.5	-71.9	-170.3	54.4	0	0	114.3	H140 P141 V163 S164	H140-M143 PolarHBondContact O-N 2.82Å; P141-M143 VanDerWaalsContact C-N 3.33Å; M143-V163 CarbonylContact O-C 3.58Å; M143-V163 WeakPolarHBondContact O-CA 3.34Å; M143-S164 WeakPolarHBondContact CA-O 3.45Å; M143-S164 WeakPolarHBondContact CB-O 3.31Å; M143-S164 PolarHBondContact O-N 3.06Å
144	L	82.8	Confident	85.2	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.6	-172.2	-54.9	-179.1	0	0	0	112.2	I136 T137 H140 K162 V163 I195	I136-L144 HydrophobicContact CB-CD1 4.47Å; I136-L144 HydrophobicContact CG1-CD1 4.01Å; I136-L144 HydrophobicContact CG2-CD1 4.1Å; I136-L144 WeakPolarHBondContact O-CD1 3.48Å; T137-L144 HydrophobicContact CG2-CB 4.01Å; T137-L144 HydrophobicContact CG2-CD1 4.29Å; H140-L144 HydrophobicContact CB-CD1 3.89Å; H140-L144 HydrophobicContact CB-CG 4Å; H140-L144 WeakPolarHBondContact O-CB 3.38Å; H140-L144 PolarHBondContact O-N 2.6Å; L144-K162 CarbonylContact C-O 3.54Å; L144-K162 VanDerWaalsContact CA-O 3.31Å; L144-K162 WeakPolarHBondContact CA-O 3.43Å; L144-V163 HydrophobicContact CD2-CB 4.14Å; L144-V163 HydrophobicContact CD2-CG1 4.04Å; L144-V163 HydrophobicContact CD2-CG2 3.68Å; L144-I195 HydrophobicContact CD1-CG2 3.33Å; L144-I195 HydrophobicContact CD2-CG2 3.85Å; L144-I195 HydrophobicContact CG-CG2 4.26Å
145	T	85.3	Confident	85	Confident	75 Å²	75	64.9 Å²	64.9	46%	0.46	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.4	168.6	-46.1	0	0	0	0	109.8	I147 K162	T145-I147 HydrophobicContact CG2-CG1 4.4Å; T145-K162 PolarHBondContact N-O 3.24Å; T145-K162 PolarHBondContact O-N 3.2Å
146	K	92.4	Very high	84.5	Confident	74 Å²	74	66 Å²	66	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122	171.5	-167.6	-178.8	70.8	-178	0	109.9	I133 E134 T137 Y159 L161	I133-K146 HydrophobicContact CG2-CD 3.55Å; I133-K146 HydrophobicContact CG2-CG 4.04Å; E134-K146 IonicContact OE1-NZ 3.98Å; E134-K146 PolarHBondContact OE1-NZ 3.01Å; E134-K146 IonicContact OE2-NZ 3.63Å; E134-K146 PolarHBondContact OE2-NZ 3.05Å; T137-K146 HydrophobicContact CG2-CB 4.24Å; K146-Y159 HydrophobicContact CD-CD1 3.96Å; K146-Y159 HydrophobicContact CD-CE1 4Å; K146-Y159 HydrophobicContact CD-CG 4.26Å; K146-Y159 HydrophobicContact CG-CD1 3.78Å; K146-Y159 HydrophobicContact CG-CE1 4.27Å; K146-Y159 HydrophobicContact CG-CG 4.11Å; K146-L161 HydrophobicContact CB-CD2 3.96Å; K146-L161 HydrophobicContact CG-CD2 3.99Å
147	I	88.4	Confident	84.7	Confident	47 Å²	47	67.2 Å²	67.2	24%	0.241	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.8	-179.7	-54.6	173.5	0	0	0	108.2	L9 T145 I149 Y159 V160 K162 F258	L9-I147 HydrophobicContact CD2-CD1 4.35Å; T145-I147 HydrophobicContact CG2-CG1 4.4Å; I147-I149 HydrophobicContact CG2-CG2 4Å; I147-I149 PolarHBondContact O-N 3.35Å; I147-Y159 CarbonylContact O-C 3.45Å; I147-Y159 WeakPolarHBondContact O-CA 3.19Å; I147-V160 HydrophobicContact CB-CB 4.26Å; I147-V160 WeakPolarHBondContact CB-O 3.37Å; I147-V160 PolarHBondContact N-O 2.94Å; I147-V160 PolarHBondContact O-N 3.49Å; I147-K162 HydrophobicContact CD1-CB 3.94Å; I147-F258 HydrophobicContact CD1-CE2 4.46Å; I147-F258 HydrophobicContact CG2-CE2 4.18Å
148	H	94.6	Very high	84.7	Confident	108 Å²	108	66.5 Å²	66.5	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.6	169.5	-178.8	-118.4	0	0	0	109.4	G150 Y159	H148-G150 PolarHBondContact CD2-O 3.05Å; H148-G150 PolarHBondContact NE2-O 3.49Å; H148-Y159 HydrophobicContact CB-CD1 4.22Å; H148-Y159 HydrophobicContact CB-CE1 4.13Å
149	I	89.6	Confident	84.7	Confident	17 Å²	17	61.2 Å²	61.2	9%	0.087	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-15	-176.3	62.6	159.9	0	0	0	114.3	I147 L158 V160 A254 V255 F258	I147-I149 HydrophobicContact CG2-CG2 4Å; I147-I149 PolarHBondContact O-N 3.35Å; I149-L158 HydrophobicContact CD1-CB 4.41Å; I149-L158 HydrophobicContact CG1-CB 3.8Å; I149-L158 WeakPolarHBondContact CG1-O 3.33Å; I149-L158 PolarHBondContact N-O 3.28Å; I149-V160 HydrophobicContact CD1-CG2 3.82Å; I149-V160 HydrophobicContact CG1-CG2 4.2Å; I149-V160 HydrophobicContact CG2-CB 4.07Å; I149-V160 HydrophobicContact CG2-CG2 3.62Å; I149-A254 HydrophobicContact CD1-CB 4.11Å; I149-A254 HydrophobicContact CG1-CB 4.2Å; I149-A254 WeakPolarHBondContact O-CB 3.08Å; I149-V255 HydrophobicContact CD1-CG2 3.97Å; I149-F258 HydrophobicContact CG2-CB 4.33Å; I149-F258 HydrophobicContact CG2-CD2 3.53Å; I149-F258 HydrophobicContact CG2-CE2 4.08Å; I149-F258 HydrophobicContact CG2-CG 4Å
150	G	89.8	Confident	85.1	Confident	19 Å²	19	55.5 Å²	55.5	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-169.7	-177.6	0	0	0	0	0	111	H148 L158	H148-G150 PolarHBondContact CD2-O 3.05Å; H148-G150 PolarHBondContact NE2-O 3.49Å; G150-L158 VanDerWaalsContact O-CB 3.28Å; G150-L158 WeakPolarHBondContact O-CB 3.48Å; G150-L158 WeakPolarHBondContact O-CG 3.42Å; G150-L158 PolarHBondContact O-N 3.35Å
151	S	87.7	Confident	85.3	Confident	48 Å²	48	52.2 Å²	52.2	34%	0.336	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	176.3	-46.3	0	0	0	0	109.8	Y156	S151-Y156 CarbonylContact C-O 3.37Å; S151-Y156 VanDerWaalsContact CA-O 3.29Å; S151-Y156 WeakPolarHBondContact CA-O 3.26Å
152	S	78.6	Confident	85.2	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.253	C	S	.	.			trans	-67.8	173.6	176.9	76.4	0	0	0	0	112.4	E154 K155 Y156 E251	S152-E154 PolarHBondContact O-N 2.04Å; S152-E154 PolarHBondContact OG-N 3.49Å; S152-K155 WeakPolarHBondContact O-CA 3.11Å; S152-K155 PolarHBondContact O-N 2.82Å; S152-K155 PolarHBondContact OG-N 2.99Å; S152-Y156 PolarHBondContact N-O 3.48Å; S152-Y156 PolarHBondContact OG-N 2.68Å; S152-Y156 VanDerWaalsContact OG-N 3.11Å; S152-E251 WeakPolarHBondContact CA-OE1 3.31Å; S152-E251 VanDerWaalsContact CB-OE1 3.24Å; S152-E251 WeakPolarHBondContact CB-OE1 2.89Å
153	F	75	Confident	85.2	Confident	71 Å²	71	48.7 Å²	48.7	31%	0.311	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-43	168.6	-175.5	-96.3	0	0	0	112	K155 F207 P250 E251	F153-K155 PolarHBondContact O-N 3.19Å; F153-K155 PolarHBondContact O-NZ 3.07Å; F153-F207 HydrophobicContact CE1-CB 4.16Å; F153-F207 WeakPolarHBondContact CE2-O 3.4Å; F153-F207 HydrophobicContact CZ-CB 4Å; F153-F207 WeakPolarHBondContact CZ-O 3.45Å; F153-P250 HydrophobicContact CB-CG 4.25Å; F153-E251 PolarHBondContact N-OE1 3.4Å
154	E	77.6	Confident	85.3	Confident	77 Å²	77	46 Å²	46	36%	0.36	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	7.7	177.5	-64.6	163.8	164.3	0	0	113.1	S152 Y156 R205	S152-E154 PolarHBondContact O-N 2.04Å; S152-E154 PolarHBondContact OG-N 3.49Å; E154-Y156 VanDerWaalsContact C-N 3.28Å; E154-Y156 HydrophobicContact CB-CD2 4.04Å; E154-Y156 HydrophobicContact CB-CE2 4.41Å; E154-Y156 PolarHBondContact O-N 2.79Å; E154-R205 IonicContact OE1-NE 2.66Å
155	K	90.6	Very high	84.6	Confident	151 Å²	151	46.2 Å²	46.2	66%	0.657	24%	0.235	S	C	*	.			trans	69.9	10.1	176.9	-47.3	-64.7	173	-92.1	0	116.1	S152 F153	S152-K155 WeakPolarHBondContact O-CA 3.11Å; S152-K155 PolarHBondContact O-N 2.82Å; S152-K155 PolarHBondContact OG-N 2.99Å; F153-K155 PolarHBondContact O-N 3.19Å; F153-K155 PolarHBondContact O-NZ 3.07Å
156	Y	81.4	Confident	83.8	Confident	75 Å²	75	50 Å²	50	29%	0.294	24%	0.244	S	C	.	.			trans	-61.8	140.5	167.3	-77.3	-66.3	0	0	0	111.4	C16 L126 Y130 S151 S152 E154	C16-Y156 HydrophobicContact CB-CE2 4.31Å; L126-Y156 HydrophobicContact CD2-CD1 3.95Å; L126-Y156 HydrophobicContact CD2-CD2 4.27Å; L126-Y156 HydrophobicContact CD2-CE1 4.17Å; L126-Y156 HydrophobicContact CD2-CE2 4.47Å; L126-Y156 HydrophobicContact CD2-CG 4.02Å; Y130-Y156 AromaticContact CE2-CD1 3.93Å; Y130-Y156 HydrophobicContact CE2-CD1 3.93Å; Y130-Y156 WeakPolarHBondContact OH-CB 3.48Å; S151-Y156 CarbonylContact C-O 3.37Å; S151-Y156 VanDerWaalsContact CA-O 3.29Å; S151-Y156 WeakPolarHBondContact CA-O 3.26Å; S152-Y156 PolarHBondContact N-O 3.48Å; S152-Y156 PolarHBondContact OG-N 2.68Å; S152-Y156 VanDerWaalsContact OG-N 3.11Å; E154-Y156 VanDerWaalsContact C-N 3.28Å; E154-Y156 HydrophobicContact CB-CD2 4.04Å; E154-Y156 HydrophobicContact CB-CE2 4.41Å; E154-Y156 PolarHBondContact O-N 2.79Å
157	P	90.1	Very high	82.9	Confident	31 Å²	31	51.8 Å²	51.8	20%	0.201	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135	-176.5	28.7	-34.6	0	0	0	112.5	Y130 Y159	Y130-P157 HydrophobicContact CE1-CG 3.9Å; Y130-P157 WeakPolarHBondContact CE1-O 3.38Å; Y130-P157 HydrophobicContact CE2-CG 4.28Å; Y130-P157 WeakPolarHBondContact OH-CD 3.37Å; Y130-P157 PolarHBondContact OH-O 2.78Å; P157-Y159 HydrophobicContact CB-CE1 4.15Å; P157-Y159 HydrophobicContact CB-CE2 3.86Å; P157-Y159 HydrophobicContact CG-CD2 4.5Å; P157-Y159 HydrophobicContact CG-CE2 3.66Å
158	L	84.4	Confident	82.2	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.7	175.6	-52	175.6	0	0	0	108.7	V13 I149 G150 E251 A254	V13-L158 HydrophobicContact CG1-CD2 4.04Å; V13-L158 HydrophobicContact CG2-CD2 4.2Å; I149-L158 HydrophobicContact CD1-CB 4.41Å; I149-L158 HydrophobicContact CG1-CB 3.8Å; I149-L158 WeakPolarHBondContact CG1-O 3.33Å; I149-L158 PolarHBondContact N-O 3.28Å; G150-L158 VanDerWaalsContact O-CB 3.28Å; G150-L158 WeakPolarHBondContact O-CB 3.48Å; G150-L158 WeakPolarHBondContact O-CG 3.42Å; G150-L158 PolarHBondContact O-N 3.35Å; L158-E251 HydrophobicContact CD1-CB 4.15Å; L158-E251 HydrophobicContact CD1-CG 4.06Å; L158-E251 HydrophobicContact CD2-CG 4.18Å; L158-A254 HydrophobicContact CD1-CB 3.83Å
159	Y	89.6	Confident	81.4	Confident	37 Å²	37	57.1 Å²	57.1	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.3	-179.5	-65.3	-55.7	0	0	0	111.7	P11 I12 Y130 I133 K146 I147 H148 P157	P11-Y159 CarbonylContact C-O 3.58Å; P11-Y159 VanDerWaalsContact CA-O 3.25Å; P11-Y159 WeakPolarHBondContact CA-O 3.4Å; I12-Y159 PolarHBondContact N-O 3.22Å; Y130-Y159 AromaticContact CD1-CD2 3.8Å; Y130-Y159 HydrophobicContact CD1-CD2 3.8Å; Y130-Y159 AromaticContact CD1-CE2 3.74Å; Y130-Y159 HydrophobicContact CD1-CE2 3.74Å; Y130-Y159 AromaticContact CE1-CD2 3.69Å; Y130-Y159 HydrophobicContact CE1-CD2 3.69Å; Y130-Y159 AromaticContact CE1-CE2 3.76Å; Y130-Y159 HydrophobicContact CE1-CE2 3.76Å; I133-Y159 HydrophobicContact CD1-CD2 4.08Å; I133-Y159 HydrophobicContact CG2-CD2 4.12Å; I133-Y159 HydrophobicContact CG2-CG 4.5Å; K146-Y159 HydrophobicContact CD-CD1 3.96Å; K146-Y159 HydrophobicContact CD-CE1 4Å; K146-Y159 HydrophobicContact CD-CG 4.26Å; K146-Y159 HydrophobicContact CG-CD1 3.78Å; K146-Y159 HydrophobicContact CG-CE1 4.27Å; K146-Y159 HydrophobicContact CG-CG 4.11Å; I147-Y159 CarbonylContact O-C 3.45Å; I147-Y159 WeakPolarHBondContact O-CA 3.19Å; H148-Y159 HydrophobicContact CB-CD1 4.22Å; H148-Y159 HydrophobicContact CB-CE1 4.13Å; P157-Y159 HydrophobicContact CB-CE1 4.15Å; P157-Y159 HydrophobicContact CB-CE2 3.86Å; P157-Y159 HydrophobicContact CG-CD2 4.5Å; P157-Y159 HydrophobicContact CG-CE2 3.66Å
160	V	89.2	Confident	81.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	162.5	169	0	0	0	0	108.6	L9 V10 P11 I147 I149 W175 F258	L9-V160 HydrophobicContact CB-CG1 4.16Å; L9-V160 HydrophobicContact CD2-CG1 3.91Å; V10-V160 CarbonylContact O-C 3.58Å; V10-V160 VanDerWaalsContact O-CA 3.26Å; V10-V160 WeakPolarHBondContact O-CA 3.27Å; P11-V160 HydrophobicContact CB-CG2 3.82Å; I147-V160 HydrophobicContact CB-CB 4.26Å; I147-V160 WeakPolarHBondContact CB-O 3.37Å; I147-V160 PolarHBondContact N-O 2.94Å; I147-V160 PolarHBondContact O-N 3.49Å; I149-V160 HydrophobicContact CD1-CG2 3.82Å; I149-V160 HydrophobicContact CG1-CG2 4.2Å; I149-V160 HydrophobicContact CG2-CB 4.07Å; I149-V160 HydrophobicContact CG2-CG2 3.62Å; V160-W175 HydrophobicContact CG1-CZ3 4.29Å; V160-W175 HydrophobicContact CG2-CH2 3.8Å; V160-W175 HydrophobicContact CG2-CZ3 3.79Å; V160-F258 HydrophobicContact CG1-CZ 4.41Å
161	L	82.6	Confident	80.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.7	166.8	-62.7	-166.9	0	0	0	109	V10 I12 W132 I133 I136 T137 K146 I195	V10-L161 PolarHBondContact N-O 2.92Å; V10-L161 PolarHBondContact O-N 3.2Å; I12-L161 HydrophobicContact CD1-CD1 4.22Å; I12-L161 HydrophobicContact CD1-CG 4.49Å; W132-L161 HydrophobicContact CH2-CD1 4.42Å; W132-L161 HydrophobicContact CZ3-CD1 4.17Å; I133-L161 HydrophobicContact CG1-CD1 4.23Å; I133-L161 HydrophobicContact CG2-CD2 4.27Å; I136-L161 HydrophobicContact CG2-CD1 4.09Å; T137-L161 HydrophobicContact CG2-CD1 4.27Å; T137-L161 HydrophobicContact CG2-CD2 3.62Å; K146-L161 HydrophobicContact CB-CD2 3.96Å; K146-L161 HydrophobicContact CG-CD2 3.99Å; L161-I195 HydrophobicContact CB-CD1 4.14Å; L161-I195 HydrophobicContact CB-CG1 4.05Å; L161-I195 HydrophobicContact CD1-CD1 3.86Å; L161-I195 HydrophobicContact CD1-CG1 3.69Å; L161-I195 HydrophobicContact CG-CD1 4.48Å; L161-I195 HydrophobicContact CG-CG1 4.49Å
162	K	85.4	Confident	80.6	Confident	73 Å²	73	62 Å²	62	32%	0.317	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.5	169.2	177.8	-173.7	172.8	-172	0	108.6	V8 L9 L144 T145 I147 S164	V8-K162 CarbonylContact O-C 3.56Å; V8-K162 WeakPolarHBondContact O-CA 3.47Å; L9-K162 HydrophobicContact CD2-CB 3.63Å; L9-K162 HydrophobicContact CD2-CD 4.41Å; L9-K162 HydrophobicContact CD2-CG 3.77Å; L144-K162 CarbonylContact C-O 3.54Å; L144-K162 VanDerWaalsContact CA-O 3.31Å; L144-K162 WeakPolarHBondContact CA-O 3.43Å; T145-K162 PolarHBondContact N-O 3.24Å; T145-K162 PolarHBondContact O-N 3.2Å; I147-K162 HydrophobicContact CD1-CB 3.94Å; K162-S164 WeakPolarHBondContact CE-OG 3.45Å
163	V	80.3	Confident	80.9	Confident	22 Å²	22	61.9 Å²	61.9	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.2	170.6	-169.5	0	0	0	0	109.2	A7 V8 M143 L144 F194 I195	A7-V163 WeakPolarHBondContact CA-O 3.5Å; V8-V163 PolarHBondContact N-O 3.37Å; V8-V163 PolarHBondContact O-N 2.7Å; M143-V163 CarbonylContact O-C 3.58Å; M143-V163 WeakPolarHBondContact O-CA 3.34Å; L144-V163 HydrophobicContact CD2-CB 4.14Å; L144-V163 HydrophobicContact CD2-CG1 4.04Å; L144-V163 HydrophobicContact CD2-CG2 3.68Å; V163-F194 HydrophobicContact CB-CD1 4.4Å; V163-F194 HydrophobicContact CB-CE1 3.84Å; V163-F194 HydrophobicContact CG1-CE1 4.2Å; V163-F194 HydrophobicContact CG2-CD1 3.58Å; V163-F194 HydrophobicContact CG2-CE1 3.53Å; V163-I195 HydrophobicContact CG2-CG1 4.32Å
164	S	75.9	Confident	81.3	Confident	27 Å²	27	58.6 Å²	58.6	19%	0.189	31%	0.306	C	S	.	.			trans	-152.1	149.6	179.9	-69.6	0	0	0	0	111.6	M143 K162	M143-S164 WeakPolarHBondContact CA-O 3.45Å; M143-S164 WeakPolarHBondContact CB-O 3.31Å; M143-S164 PolarHBondContact O-N 3.06Å; K162-S164 WeakPolarHBondContact CE-OG 3.45Å
165	G	69.2	Low	82	Confident	15 Å²	15	55 Å²	55	16%	0.155	29%	0.289	C	S	.	.			trans	-84.2	150	168.2	0	0	0	0	0	111.8	E167 K171	G165-E167 PolarHBondContact O-N 2.97Å; G165-K171 PolarHBondContact O-NZ 3.2Å
166	K	67.3	Low	82	Confident	153 Å²	153	47.8 Å²	47.8	67%	0.665	26%	0.258	S	S	*	.	S	Bend	trans	-53.4	-15.5	-169.7	-51	-162.7	-168.5	-143.5	0	117.5	D142 Q168	D142-K166 WeakPolarHBondContact OD2-CE 3.4Å; D142-K166 IonicContact OD2-NZ 2.71Å; D142-K166 PolarHBondContact OD2-NZ 3.32Å; K166-Q168 PolarHBondContact O-N 2.83Å
167	E	74.1	Confident	82.2	Confident	112 Å²	112	44.2 Å²	44.2	52%	0.523	24%	0.244	S	C	.	.			trans	-72	117.8	178.6	-47.5	130.6	163.2	0	0	110.2	G165 A169 K171	G165-E167 PolarHBondContact O-N 2.97Å; E167-A169 PolarHBondContact O-N 3.33Å; E167-K171 WeakPolarHBondContact O-CE 3.21Å; E167-K171 PolarHBondContact O-NZ 3.2Å; E167-K171 IonicContact OE2-NZ 3.63Å; E167-K171 PolarHBondContact OE2-NZ 2.85Å
168	Q	72.5	Confident	82.1	Confident	205 Å²	205	42.8 Å²	42.8	96%	0.958	24%	0.235	S	C	*	.			trans	-78.5	59.1	178.3	-63.1	-176	-4.9	0	0	112	K166	K166-Q168 PolarHBondContact O-N 2.83Å
169	A	78.7	Confident	82.1	Confident	63 Å²	63	42.8 Å²	42.8	52%	0.521	24%	0.235	S	C	.	.	S	Bend	trans	-106.1	155.5	172.2	0	0	0	0	0	110.8	E167 K171	E167-A169 PolarHBondContact O-N 3.33Å; A169-K171 PolarHBondContact O-N 3.23Å
170	A	82.4	Confident	81.7	Confident	111 Å²	111	41.2 Å²	41.2	92%	0.917	23%	0.229	S	C	*	.			trans	-63.6	129.8	163.8	0	0	0	0	0	109.1
171	K	78.9	Confident	81.1	Confident	29 Å²	29	41.6 Å²	41.6	13%	0.126	23%	0.231	C	C	.	.			trans	-135.7	141	-174.4	-70.1	173.9	-177.7	-175	0	109.8	C4 G165 E167 A169 Q265	C4-K171 WeakPolarHBondContact O-CE 2.73Å; C4-K171 PolarHBondContact O-NZ 2.92Å; G165-K171 PolarHBondContact O-NZ 3.2Å; E167-K171 WeakPolarHBondContact O-CE 3.21Å; E167-K171 PolarHBondContact O-NZ 3.2Å; E167-K171 IonicContact OE2-NZ 3.63Å; E167-K171 PolarHBondContact OE2-NZ 2.85Å; A169-K171 PolarHBondContact O-N 3.23Å; K171-Q265 WeakPolarHBondContact O-CG 2.99Å; K171-Q265 PolarHBondContact O-NE2 3.05Å
172	N	88.9	Confident	80.6	Confident	46 Å²	46	44.5 Å²	44.5	25%	0.246	25%	0.254	C	S	.	.			trans	-61.3	160.2	165.9	-79.6	-29.7	0	0	0	110.3	L6 A7 Q265 K267 V386	L6-N172 WeakPolarHBondContact CA-O 3.42Å; L6-N172 HydrophobicContact CD2-CB 3.56Å; L6-N172 VanDerWaalsContact CD2-O 3.3Å; L6-N172 WeakPolarHBondContact CD2-O 3.31Å; A7-N172 PolarHBondContact N-O 3Å; N172-Q265 CarbonylContact C-O 3.54Å; N172-Q265 WeakPolarHBondContact CA-O 2.84Å; N172-K267 HydrophobicContact CB-CG 3.72Å; N172-K267 VanDerWaalsContact OD1-CE 3.25Å; N172-K267 WeakPolarHBondContact OD1-CE 3.4Å; N172-V386 PolarHBondContact ND2-OXT 3.45Å
173	A	83.8	Confident	80.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.2	-176.2	0	0	0	0	0	113.1	A7 L9 Q265 I266 K267	A7-A173 HydrophobicContact CB-CB 4.4Å; A7-A173 VanDerWaalsContact O-CA 3.24Å; A7-A173 WeakPolarHBondContact O-CA 3.35Å; L9-A173 HydrophobicContact CD1-CB 4.03Å; A173-Q265 HydrophobicContact CB-CG 3.96Å; A173-Q265 PolarHBondContact N-O 3.28Å; A173-I266 HydrophobicContact CB-CG1 4.38Å; A173-I266 CarbonylContact O-C 3.51Å; A173-I266 WeakPolarHBondContact O-CA 3.19Å; A173-K267 PolarHBondContact O-N 2.83Å
174	I	83.6	Confident	80.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.4	164.7	-63.5	178.6	0	0	0	107.7	L6 A7 V8 L9 I176 A268 I270 A379 V382	L6-I174 HydrophobicContact CD1-CD1 3.58Å; L6-I174 HydrophobicContact CD1-CG1 3.9Å; A7-I174 PolarHBondContact O-N 3.44Å; V8-I174 WeakPolarHBondContact CA-O 3.45Å; L9-I174 PolarHBondContact N-O 2.85Å; I174-I176 HydrophobicContact CG2-CD1 4.24Å; I174-I176 HydrophobicContact CG2-CG1 3.78Å; I174-A268 HydrophobicContact CD1-CB 4.42Å; I174-A268 HydrophobicContact CG1-CB 4.04Å; I174-A268 HydrophobicContact CG2-CB 4.17Å; I174-I270 HydrophobicContact CG2-CD1 4.16Å; I174-I270 HydrophobicContact CG2-CG1 4.17Å; I174-A379 HydrophobicContact CD1-CB 3.54Å; I174-V382 HydrophobicContact CD1-CB 4.41Å; I174-V382 HydrophobicContact CD1-CG1 4.46Å; I174-V382 HydrophobicContact CD1-CG2 4.42Å
175	W	93.2	Very high	81.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	169.5	175.6	-87.8	0	0	0	109.7	L9 P11 V160 D177 V255 F258 L259 A268 Y269 I270	L9-W175 HydrophobicContact CB-CE3 3.73Å; L9-W175 HydrophobicContact CB-CZ3 4.29Å; L9-W175 WeakPolarHBondContact O-CA 3.42Å; P11-W175 HydrophobicContact CB-CH2 3.95Å; P11-W175 HydrophobicContact CB-CZ2 4.08Å; P11-W175 VanDerWaalsContact CD-CZ2 3.49Å; P11-W175 HydrophobicContact CG-CH2 3.68Å; P11-W175 HydrophobicContact CG-CZ2 3.36Å; P11-W175 HydrophobicContact CG-CZ3 4.48Å; V160-W175 HydrophobicContact CG1-CZ3 4.29Å; V160-W175 HydrophobicContact CG2-CH2 3.8Å; V160-W175 HydrophobicContact CG2-CZ3 3.79Å; W175-D177 HydrophobicContact CZ2-CB 4.31Å; W175-D177 PolarHBondContact NE1-OD2 3.42Å; W175-V255 HydrophobicContact CH2-CG1 4.3Å; W175-V255 HydrophobicContact CH2-CG2 4.38Å; W175-V255 HydrophobicContact CZ2-CB 4.36Å; W175-V255 HydrophobicContact CZ2-CG1 3.59Å; W175-V255 HydrophobicContact CZ2-CG2 4.09Å; W175-F258 HydrophobicContact CE3-CD1 4.11Å; W175-F258 AromaticContact CE3-CE1 3.98Å; W175-F258 HydrophobicContact CE3-CE1 3.98Å; W175-F258 AromaticContact CH2-CD1 3.96Å; W175-F258 HydrophobicContact CH2-CD1 3.96Å; W175-F258 HydrophobicContact CH2-CE1 4.45Å; W175-F258 AromaticContact CZ3-CD1 3.36Å; W175-F258 HydrophobicContact CZ3-CD1 3.36Å; W175-F258 AromaticContact CZ3-CE1 3.45Å; W175-F258 HydrophobicContact CZ3-CE1 3.45Å; W175-F258 VanDerWaalsContact CZ3-CE1 3.45Å; W175-F258 HydrophobicContact CZ3-CG 4.44Å; W175-L259 HydrophobicContact CB-CD2 3.99Å; W175-L259 HydrophobicContact CD2-CD2 3.48Å; W175-L259 VanDerWaalsContact CD2-CD2 3.48Å; W175-L259 HydrophobicContact CD2-CG 4.34Å; W175-L259 HydrophobicContact CE3-CD2 3.78Å; W175-L259 HydrophobicContact CG-CD2 3.62Å; W175-L259 HydrophobicContact CZ2-CD1 4.4Å; W175-L259 HydrophobicContact CZ2-CD2 4.38Å; W175-L259 HydrophobicContact CZ2-CG 4.38Å; W175-L259 HydrophobicContact CZ3-CD2 4.37Å; W175-A268 PolarHBondContact N-O 3.27Å; W175-Y269 HydrophobicContact CB-CD2 4.34Å; W175-Y269 AromaticContact CD1-CD2 3.24Å; W175-Y269 AromaticContact CD1-CE2 3.29Å; W175-Y269 HydrophobicContact CG-CD2 4.04Å; W175-Y269 HydrophobicContact CG-CE2 4.36Å; W175-Y269 AromaticContact NE1-CD2 3.88Å; W175-Y269 AromaticContact NE1-CE2 3.44Å; W175-I270 PolarHBondContact O-N 3.29Å
176	I	90.6	Very high	82.3	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	103.7	174.8	-43.1	177.1	0	0	0	108.1	V8 L9 V10 P11 I174 F194 N198 I270 M272 V375	V8-I176 HydrophobicContact CG1-CD1 3.69Å; V8-I176 HydrophobicContact CG1-CG1 3.91Å; L9-I176 PolarHBondContact O-N 3.21Å; V10-I176 WeakPolarHBondContact CA-O 3.49Å; V10-I176 HydrophobicContact CG2-CB 4.49Å; P11-I176 WeakPolarHBondContact CD-O 3.25Å; I174-I176 HydrophobicContact CG2-CD1 4.24Å; I174-I176 HydrophobicContact CG2-CG1 3.78Å; I176-F194 HydrophobicContact CD1-CD2 3.85Å; I176-F194 HydrophobicContact CD1-CE2 3.75Å; I176-N198 WeakPolarHBondContact CD1-O 3.33Å; I176-N198 WeakPolarHBondContact CG2-OD1 3.29Å; I176-I270 WeakPolarHBondContact CA-O 3.44Å; I176-I270 HydrophobicContact CD1-CD1 4.23Å; I176-I270 HydrophobicContact CG1-CD1 4.16Å; I176-I270 HydrophobicContact CG1-CG1 4.23Å; I176-I270 HydrophobicContact CG2-CB 4.17Å; I176-M272 HydrophobicContact CG2-CE 3.77Å; I176-M272 HydrophobicContact CG2-CG 4.06Å; I176-V375 HydrophobicContact CD1-CG1 3.67Å
177	D	86.1	Confident	83.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.			trans	-81.7	153.2	-178.3	41.9	56.7	0	0	0	114	P11 W175 I180 R199 M200 Y269 I270 S271	P11-D177 HydrophobicContact CG-CB 3.45Å; P11-D177 VanDerWaalsContact CG-CB 3.45Å; W175-D177 HydrophobicContact CZ2-CB 4.31Å; W175-D177 PolarHBondContact NE1-OD2 3.42Å; D177-I180 HydrophobicContact CB-CD1 3.76Å; D177-I180 HydrophobicContact CB-CG1 4.21Å; D177-I180 VanDerWaalsContact CG-CD1 3.41Å; D177-R199 CarbonylContact O-C 3.59Å; D177-M200 CarbonylContact C-O 3.53Å; D177-M200 PolarHBondContact O-N 2.83Å; D177-Y269 WeakPolarHBondContact OD2-CE2 3.26Å; D177-Y269 PolarHBondContact OD2-OH 3.23Å; D177-I270 PolarHBondContact N-O 3.23Å; D177-S271 VanDerWaalsContact OD1-CA 3.3Å; D177-S271 WeakPolarHBondContact OD1-CA 3.49Å; D177-S271 WeakPolarHBondContact OD1-CB 3.29Å; D177-S271 PolarHBondContact OD1-OG 3.34Å
178	C	87.2	Confident	84.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-124.8	150	174.8	-55.5	0	0	0	0	110.9	V10 P11 I180 C191 N198 R199 M200	V10-C178 VanDerWaalsContact CG1-SG 3.57Å; P11-C178 WeakPolarHBondContact O-CB 3.1Å; P11-C178 PolarHBondContact O-N 3Å; P11-C178 PolarHBondContact O-SG 3.42Å; P11-C178 VanDerWaalsContact O-SG 3.34Å; C178-I180 PolarHBondContact O-N 3.33Å; C178-I180 VanDerWaalsContact O-N 3.1Å; C178-C191 HydrophobicContact CB-CB 3.56Å; C178-C191 WeakPolarHBondContact CB-SG 3.47Å; C178-C191 WeakPolarHBondContact SG-CB 3.37Å; C178-C191 CovalentContact SG-SG 2.01Å; C178-C191 PolarHBondContact SG-SG 2.73Å; C178-N198 VanDerWaalsContact SG-CG 3.57Å; C178-N198 PolarHBondContact SG-ND2 2.77Å; C178-R199 PolarHBondContact SG-O 3.3Å; C178-M200 CarbonylContact C-O 3.48Å; C178-M200 WeakPolarHBondContact CA-O 3.17Å; C178-M200 PolarHBondContact N-O 3.35Å
179	G	83.9	Confident	85.1	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.01	14%	0.142	C	C	.	.			trans	65.3	25.9	152.6	0	0	0	0	0	113.9	V13 M200 W201	V13-G179 CarbonylContact C-O 3.48Å; V13-G179 WeakPolarHBondContact CB-O 3.46Å; V13-G179 WeakPolarHBondContact CG1-O 3.08Å; V13-G179 CarbonylContact O-C 3.46Å; V13-G179 WeakPolarHBondContact O-CA 3.4Å; G179-M200 VanDerWaalsContact N-C 3.3Å; G179-M200 PolarHBondContact N-O 2.84Å; G179-W201 PolarHBondContact N-O 2.96Å; G179-W201 VanDerWaalsContact O-CD1 3.28Å
180	I	82.8	Confident	85.7	Confident	5 Å²	5	19.3 Å²	19.3	3%	0.026	12%	0.118	C	C	.	.	S	Bend	trans	-73.3	-37	167.9	-36.5	174.3	0	0	0	110.8	D177 C178 W201 R202 K203 L218	D177-I180 HydrophobicContact CB-CD1 3.76Å; D177-I180 HydrophobicContact CB-CG1 4.21Å; D177-I180 VanDerWaalsContact CG-CD1 3.41Å; C178-I180 PolarHBondContact O-N 3.33Å; C178-I180 VanDerWaalsContact O-N 3.1Å; I180-W201 WeakPolarHBondContact CA-O 3Å; I180-W201 WeakPolarHBondContact CB-O 3.28Å; I180-W201 VanDerWaalsContact CG1-O 3.25Å; I180-W201 WeakPolarHBondContact CG1-O 3.47Å; I180-W201 VanDerWaalsContact N-C 3.27Å; I180-W201 PolarHBondContact N-O 3.24Å; I180-W201 PolarHBondContact O-NE1 2.9Å; I180-R202 VanDerWaalsContact C-CA 3.49Å; I180-R202 VanDerWaalsContact C-N 3.35Å; I180-R202 CarbonylContact C-O 3.34Å; I180-R202 VanDerWaalsContact CB-N 3.27Å; I180-R202 WeakPolarHBondContact CG2-O 3.48Å; I180-R202 CarbonylContact O-C 3.57Å; I180-K203 CarbonylContact O-C 3.07Å; I180-K203 WeakPolarHBondContact O-CA 3.08Å; I180-K203 PolarHBondContact O-N 2.92Å; I180-L218 HydrophobicContact CG2-CB 3.32Å; I180-L218 HydrophobicContact CG2-CD1 3.18Å; I180-L218 HydrophobicContact CG2-CG 3.68Å
181	H	76.7	Confident	85.9	Confident	8 Å²	8	14.1 Å²	14.1	4%	0.037	8%	0.075	C	C	.	.	S	Bend	trans	-89.4	113.4	162	-132.6	-160	0	0	0	120.5	R183 E184 W201 R202 K203	H181-R183 PolarHBondContact O-N 3.47Å; H181-E184 IonicContact CE1-OE1 3.73Å; H181-E184 IonicContact CG-OE1 2.68Å; H181-E184 IonicContact ND1-OE1 3.43Å; H181-E184 PolarHBondContact ND1-OE1 3.47Å; H181-W201 VanDerWaalsContact CB-C 3.4Å; H181-W201 HydrophobicContact CB-CB 3.36Å; H181-W201 HydrophobicContact CB-CD2 2.52Å; H181-W201 HydrophobicContact CB-CE3 2.99Å; H181-W201 HydrophobicContact CB-CG 2.9Å; H181-W201 HydrophobicContact CB-CH2 4.14Å; H181-W201 HydrophobicContact CB-CZ2 3.96Å; H181-W201 HydrophobicContact CB-CZ3 3.7Å; H181-W201 AromaticContact CD2-CD2 3.69Å; H181-W201 AromaticContact CD2-CE2 3.59Å; H181-W201 AromaticContact CD2-CE3 3.47Å; H181-W201 VanDerWaalsContact CD2-CE3 3.47Å; H181-W201 AromaticContact CD2-CH2 3.05Å; H181-W201 WeakPolarHBondContact CD2-CH2 3.33Å; H181-W201 AromaticContact CD2-CZ2 3.34Å; H181-W201 WeakPolarHBondContact CD2-CZ2 3.18Å; H181-W201 AromaticContact CD2-CZ3 3.08Å; H181-W201 WeakPolarHBondContact CD2-CZ3 3.47Å; H181-W201 AromaticContact CE1-CE3 3.99Å; H181-W201 AromaticContact CE1-CZ3 3.62Å; H181-W201 AromaticContact CG-CD2 3.14Å; H181-W201 AromaticContact CG-CE2 3.62Å; H181-W201 AromaticContact CG-CE3 3Å; H181-W201 AromaticContact CG-CH2 3.62Å; H181-W201 AromaticContact CG-CZ2 3.84Å; H181-W201 AromaticContact CG-CZ3 3.18Å; H181-W201 VanDerWaalsContact N-CB 3.27Å; H181-W201 PolarHBondContact N-O 3.09Å; H181-W201 AromaticContact ND1-CD2 3.95Å; H181-W201 AromaticContact ND1-CE3 3.38Å; H181-W201 AromaticContact ND1-CZ3 3.5Å; H181-W201 WeakPolarHBondContact ND1-CZ3 3.26Å; H181-W201 AromaticContact NE2-CH2 3.54Å; H181-W201 AromaticContact NE2-CZ3 3.42Å; H181-W201 WeakPolarHBondContact NE2-CZ3 3.04Å; H181-W201 PolarHBondContact O-NE1 3.46Å; H181-R202 VanDerWaalsContact CB-C 3.41Å; H181-R202 HydrophobicContact CB-CB 3.33Å; H181-R202 HydrophobicContact CB-CG 4.03Å; H181-R202 VanDerWaalsContact CG-CG 3.44Å; H181-R202 WeakPolarHBondContact ND1-CB 3.3Å; H181-K203 VanDerWaalsContact CD2-CG 3.43Å; H181-K203 WeakPolarHBondContact CD2-CG 3.07Å; H181-K203 PolarHBondContact CD2-N 3.4Å; H181-K203 VanDerWaalsContact CG-N 3.27Å; H181-K203 VanDerWaalsContact N-N 3.1Å
182	A	70.4	Confident	86.2	Confident	60 Å²	60	12.8 Å²	12.8	50%	0.496	7%	0.069	S	C	.	.	S	Bend	trans	-65.1	0.2	161.6	0	0	0	0	0	118.1	W185 W201	A182-W185 PolarHBondContact O-NE1 3.45Å; A182-W201 HydrophobicContact CB-CZ2 4.37Å
183	R	79.5	Confident	86	Confident	48 Å²	48	11.7 Å²	11.7	18%	0.181	6%	0.061	C	C	.	.	S	Bend	trans	-117.4	-10.2	166.1	68.9	166	-178.7	-172.1	2.2	115.5	L53 H181 W185 W201 F357	L53-R183 PolarHBondContact O-NH1 2.78Å; L53-R183 PolarHBondContact O-NH2 3.44Å; H181-R183 PolarHBondContact O-N 3.47Å; R183-W185 PolarHBondContact O-N 2.61Å; R183-W201 HydrophobicContact CB-CH2 4.47Å; R183-W201 HydrophobicContact CB-CZ3 4.12Å; R183-W201 HydrophobicContact CG-CE3 4Å; R183-W201 HydrophobicContact CG-CH2 3.64Å; R183-W201 HydrophobicContact CG-CZ3 3.16Å; R183-F357 HydrophobicContact CG-CD1 4.3Å; R183-F357 HydrophobicContact CG-CD2 4.34Å; R183-F357 HydrophobicContact CG-CE1 4.46Å; R183-F357 HydrophobicContact CG-CG 4.27Å; R183-F357 VanDerWaalsContact CZ-CE2 3.5Å; R183-F357 VanDerWaalsContact O-CB 3.22Å; R183-F357 WeakPolarHBondContact O-CB 3.21Å
184	E	83.2	Confident	85.4	Confident	3 Å²	3	12.2 Å²	12.2	1%	0.014	6%	0.064	C	C	.	.			trans	-89.7	105.4	163.2	-63.9	157.7	-157	0	0	106.1	H181 S187 P188 W201 H273 S274 F357	H181-E184 IonicContact CE1-OE1 3.73Å; H181-E184 IonicContact CG-OE1 2.68Å; H181-E184 IonicContact ND1-OE1 3.43Å; H181-E184 PolarHBondContact ND1-OE1 3.47Å; E184-S187 VanDerWaalsContact CB-CB 3.48Å; E184-S187 WeakPolarHBondContact CB-OG 3.42Å; E184-S187 WeakPolarHBondContact O-CB 3.25Å; E184-S187 PolarHBondContact OE2-OG 3.33Å; E184-P188 WeakPolarHBondContact O-CD 3.28Å; E184-W201 HydrophobicContact CB-CB 4.37Å; E184-W201 HydrophobicContact CB-CD2 4.33Å; E184-W201 HydrophobicContact CB-CE3 3.83Å; E184-W201 HydrophobicContact CG-CD2 4.44Å; E184-W201 HydrophobicContact CG-CE3 3.58Å; E184-W201 HydrophobicContact CG-CZ3 4.44Å; E184-W201 VanDerWaalsContact N-CE3 3.29Å; E184-W201 VanDerWaalsContact OE2-CA 3.31Å; E184-W201 WeakPolarHBondContact OE2-CA 3.33Å; E184-W201 WeakPolarHBondContact OE2-CB 3.49Å; E184-H273 WeakPolarHBondContact OE2-CA 3.02Å; E184-H273 WeakPolarHBondContact OE2-CB 3.04Å; E184-S274 VanDerWaalsContact CD-O 3.26Å; E184-S274 VanDerWaalsContact CG-O 3.31Å; E184-S274 WeakPolarHBondContact CG-O 3.02Å; E184-S274 VanDerWaalsContact CG-OG 3.3Å; E184-S274 WeakPolarHBondContact CG-OG 3.27Å; E184-S274 VanDerWaalsContact OE1-O 3.09Å; E184-S274 PolarHBondContact OE2-N 2.87Å; E184-F357 HydrophobicContact CG-CD1 3.71Å; E184-F357 HydrophobicContact CG-CE1 3.61Å
185	W	89.4	Confident	84.3	Confident	73 Å²	73	13.3 Å²	13.3	28%	0.277	7%	0.069	S	C	.	.	S	Bend	trans	-97.7	-31.3	-177.9	-73.7	10.2	0	0	0	113	I102 Q105 I106 Y123 A182 R183 S187 A189	I102-W185 HydrophobicContact CG2-CH2 4.5Å; Q105-W185 HydrophobicContact CB-CE3 3.79Å; Q105-W185 HydrophobicContact CB-CZ3 3.59Å; Q105-W185 HydrophobicContact CG-CE3 4.46Å; I106-W185 HydrophobicContact CG2-CH2 3.46Å; I106-W185 VanDerWaalsContact CG2-CH2 3.46Å; I106-W185 HydrophobicContact CG2-CZ3 3.53Å; Y123-W185 HydrophobicContact CD1-CB 3.81Å; Y123-W185 VanDerWaalsContact CD1-O 3.28Å; Y123-W185 WeakPolarHBondContact CD1-O 3.44Å; Y123-W185 HydrophobicContact CD2-CE3 4.39Å; Y123-W185 HydrophobicContact CE1-CB 3.86Å; Y123-W185 WeakPolarHBondContact CE1-O 3.35Å; Y123-W185 HydrophobicContact CG-CB 4.21Å; Y123-W185 HydrophobicContact CG-CE3 4.37Å; A182-W185 PolarHBondContact O-NE1 3.45Å; R183-W185 PolarHBondContact O-N 2.61Å; W185-S187 PolarHBondContact O-N 2.78Å; W185-A189 PolarHBondContact O-N 3.44Å
186	I	95.6	Very high	82.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-44.8	-32.1	158	-171	53	0	0	0	109.9	F190 M200 S274 L349 L359 I364 T367	I186-F190 PolarHBondContact O-N 3.34Å; I186-M200 HydrophobicContact CG1-CE 4.08Å; I186-M200 WeakPolarHBondContact O-CE 3.49Å; I186-S274 VanDerWaalsContact CG2-OG 3.26Å; I186-S274 WeakPolarHBondContact CG2-OG 3.46Å; I186-L349 HydrophobicContact CG1-CD1 4.14Å; I186-L359 HydrophobicContact CB-CD2 3.89Å; I186-L359 HydrophobicContact CD1-CD2 3.92Å; I186-L359 HydrophobicContact CG1-CD2 3.67Å; I186-L359 HydrophobicContact CG2-CD2 4.44Å; I186-I364 HydrophobicContact CD1-CB 4.25Å; I186-I364 HydrophobicContact CD1-CG1 3.92Å; I186-I364 HydrophobicContact CD1-CG2 4.49Å; I186-T367 HydrophobicContact CD1-CG2 4.03Å; I186-T367 HydrophobicContact CG1-CG2 3.92Å
187	S	90.8	Very high	80.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-52.3	-87.6	172.9	-92.1	0	0	0	0	115	E184 W185 A189 F190 C191 M200 W201	E184-S187 VanDerWaalsContact CB-CB 3.48Å; E184-S187 WeakPolarHBondContact CB-OG 3.42Å; E184-S187 WeakPolarHBondContact O-CB 3.25Å; E184-S187 PolarHBondContact OE2-OG 3.33Å; W185-S187 PolarHBondContact O-N 2.78Å; S187-A189 PolarHBondContact O-N 2.78Å; S187-F190 PolarHBondContact O-N 2.8Å; S187-F190 VanDerWaalsContact O-N 3.11Å; S187-C191 PolarHBondContact O-N 2.93Å; S187-C191 VanDerWaalsContact O-N 3.08Å; S187-M200 VanDerWaalsContact C-CG 3.43Å; S187-M200 VanDerWaalsContact CA-CB 3.41Å; S187-M200 WeakPolarHBondContact CA-SD 3.25Å; S187-M200 VanDerWaalsContact CB-CB 3.45Å; S187-M200 VanDerWaalsContact O-CB 3.22Å; S187-M200 WeakPolarHBondContact O-CB 3.3Å; S187-M200 WeakPolarHBondContact O-CG 3.26Å; S187-M200 VanDerWaalsContact OG-CB 3.32Å; S187-M200 WeakPolarHBondContact OG-CB 3.5Å; S187-M200 PolarHBondContact OG-SD 3.16Å; S187-W201 PolarHBondContact OG-N 3.39Å
188	P	89.5	Confident	77.9	Confident	12 Å²	12	17.9 Å²	17.9	8%	0.078	10%	0.102	C	C	.	.	H	α-helix	trans	-48.2	-26.1	176	-30.5	38.2	0	0	0	116.3	L14 I129 E184 C191 L192	L14-P188 HydrophobicContact CD1-CB 4.25Å; L14-P188 HydrophobicContact CD2-CB 3.96Å; L14-P188 HydrophobicContact CD2-CG 3.54Å; L14-P188 HydrophobicContact CG-CB 4.36Å; L14-P188 HydrophobicContact CG-CG 4.13Å; I129-P188 HydrophobicContact CD1-CB 3.95Å; E184-P188 WeakPolarHBondContact O-CD 3.28Å; P188-C191 WeakPolarHBondContact O-CA 3.45Å; P188-C191 WeakPolarHBondContact O-CB 3.41Å; P188-C191 PolarHBondContact O-N 3.26Å; P188-C191 VanDerWaalsContact O-N 3.11Å; P188-L192 PolarHBondContact O-N 3.39Å
189	A	91.3	Very high	75.3	Confident	5 Å²	5	17.8 Å²	17.8	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-50.9	173.3	0	0	0	0	0	114.8	Y123 W185 S187 C191 W193 I364	Y123-A189 HydrophobicContact CD1-CB 3.79Å; Y123-A189 HydrophobicContact CE1-CB 3.69Å; W185-A189 PolarHBondContact O-N 3.44Å; S187-A189 PolarHBondContact O-N 2.78Å; A189-C191 PolarHBondContact O-N 3.05Å; A189-W193 PolarHBondContact O-N 2.76Å; A189-I364 HydrophobicContact CB-CD1 4.08Å; A189-I364 HydrophobicContact CB-CG1 4.25Å; A189-I364 HydrophobicContact CB-CG2 3.94Å
190	F	92	Very high	72.8	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.7	-23.8	170.3	-165.8	-151.3	0	0	0	109.8	I186 S187 W193 F194 H197 N198 R199 M200 C368 A371 F372	I186-F190 PolarHBondContact O-N 3.34Å; S187-F190 PolarHBondContact O-N 2.8Å; S187-F190 VanDerWaalsContact O-N 3.11Å; F190-W193 HydrophobicContact CD2-CB 3.36Å; F190-W193 HydrophobicContact CD2-CD2 4.25Å; F190-W193 HydrophobicContact CD2-CE3 4.33Å; F190-W193 AromaticContact CD2-CG 3.88Å; F190-W193 HydrophobicContact CD2-CG 3.88Å; F190-W193 HydrophobicContact CE2-CB 3.89Å; F190-W193 HydrophobicContact CE2-CD2 4.47Å; F190-W193 HydrophobicContact CE2-CE3 4.1Å; F190-W193 HydrophobicContact CE2-CG 4.42Å; F190-W193 HydrophobicContact CG-CB 4.38Å; F190-W193 CarbonylContact O-C 2.72Å; F190-W193 VanDerWaalsContact O-CA 3.27Å; F190-W193 WeakPolarHBondContact O-CA 3.48Å; F190-W193 WeakPolarHBondContact O-CB 3.5Å; F190-W193 PolarHBondContact O-N 2.69Å; F190-F194 PolarHBondContact O-N 2.76Å; F190-H197 HydrophobicContact CD2-CB 4.49Å; F190-H197 HydrophobicContact CE2-CB 3.52Å; F190-H197 VanDerWaalsContact CZ-C 3.5Å; F190-H197 HydrophobicContact CZ-CB 4.09Å; F190-H197 WeakPolarHBondContact CZ-O 3.39Å; F190-N198 HydrophobicContact CG-CB 4.39Å; F190-N198 VanDerWaalsContact CZ-CA 3.48Å; F190-N198 WeakPolarHBondContact O-CA 3.3Å; F190-N198 WeakPolarHBondContact O-CB 3.17Å; F190-R199 HydrophobicContact CB-CB 4.34Å; F190-R199 HydrophobicContact CD1-CB 3.08Å; F190-R199 HydrophobicContact CD1-CG 3.88Å; F190-R199 HydrophobicContact CE1-CB 3.41Å; F190-R199 VanDerWaalsContact CE1-CB 3.41Å; F190-R199 HydrophobicContact CE1-CG 4.3Å; F190-R199 HydrophobicContact CG-CB 3.99Å; F190-M200 HydrophobicContact CB-CE 3.24Å; F190-M200 HydrophobicContact CB-CG 4.17Å; F190-M200 HydrophobicContact CD1-CE 4.2Å; F190-M200 HydrophobicContact CG-CE 4.23Å; F190-C368 VanDerWaalsContact CA-SG 3.56Å; F190-C368 HydrophobicContact CB-CB 4.46Å; F190-C368 WeakPolarHBondContact CB-SG 3.49Å; F190-C368 VanDerWaalsContact CD2-CA 3.43Å; F190-C368 HydrophobicContact CD2-CB 3.29Å; F190-C368 WeakPolarHBondContact CD2-SG 3.35Å; F190-C368 HydrophobicContact CE2-CB 3.79Å; F190-C368 WeakPolarHBondContact CE2-O 3.43Å; F190-C368 HydrophobicContact CG-CB 4Å; F190-C368 VanDerWaalsContact CZ-O 3.32Å; F190-C368 WeakPolarHBondContact CZ-O 3.35Å; F190-A371 HydrophobicContact CD1-CB 3.66Å; F190-A371 HydrophobicContact CE1-CB 3.16Å; F190-A371 HydrophobicContact CZ-CB 3.79Å; F190-F372 HydrophobicContact CE2-CB 4.36Å; F190-F372 HydrophobicContact CZ-CB 4.09Å; F190-F372 VanDerWaalsContact CZ-N 3.3Å
191	C	86.3	Confident	70.8	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-52.3	175.9	-173.3	0	0	0	0	113.6	C178 S187 P188 A189 W193 F194 N198 R199	C178-C191 HydrophobicContact CB-CB 3.56Å; C178-C191 WeakPolarHBondContact CB-SG 3.47Å; C178-C191 WeakPolarHBondContact SG-CB 3.37Å; C178-C191 CovalentContact SG-SG 2.01Å; C178-C191 PolarHBondContact SG-SG 2.73Å; S187-C191 PolarHBondContact O-N 2.93Å; S187-C191 VanDerWaalsContact O-N 3.08Å; P188-C191 WeakPolarHBondContact O-CA 3.45Å; P188-C191 WeakPolarHBondContact O-CB 3.41Å; P188-C191 PolarHBondContact O-N 3.26Å; P188-C191 VanDerWaalsContact O-N 3.11Å; A189-C191 PolarHBondContact O-N 3.05Å; C191-W193 PolarHBondContact O-N 2.65Å; C191-W193 VanDerWaalsContact O-N 3.15Å; C191-F194 PolarHBondContact O-N 3.29Å; C191-N198 VanDerWaalsContact CA-CB 3.48Å; C191-N198 VanDerWaalsContact CA-ND2 3.3Å; C191-N198 WeakPolarHBondContact CA-ND2 3.39Å; C191-N198 PolarHBondContact O-ND2 2.87Å; C191-N198 PolarHBondContact SG-ND2 3.02Å; C191-R199 WeakPolarHBondContact CA-O 3.25Å
192	L	85.6	Confident	69.3	Low	2 Å²	2	19 Å²	19	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-54.8	-31.6	171.7	-95.7	52.8	0	0	0	111.3	Y119 Y120 H124 I129 W132 P188 F194	Y119-L192 HydrophobicContact CE1-CD2 3.67Å; Y120-L192 HydrophobicContact CD1-CB 4.32Å; H124-L192 HydrophobicContact CB-CD2 4.4Å; I129-L192 HydrophobicContact CB-CD1 4.26Å; I129-L192 HydrophobicContact CD1-CD1 3.7Å; I129-L192 HydrophobicContact CD1-CD2 4.14Å; I129-L192 HydrophobicContact CG1-CD1 3.74Å; I129-L192 HydrophobicContact CG1-CD2 3.81Å; I129-L192 HydrophobicContact CG1-CG 4.39Å; I129-L192 HydrophobicContact CG2-CD1 3.67Å; W132-L192 HydrophobicContact CD2-CD2 4.48Å; W132-L192 HydrophobicContact CD2-CG 3.94Å; W132-L192 HydrophobicContact CE3-CD1 4.07Å; W132-L192 HydrophobicContact CE3-CG 3.88Å; W132-L192 HydrophobicContact CH2-CB 4.3Å; W132-L192 HydrophobicContact CH2-CD1 4.35Å; W132-L192 HydrophobicContact CH2-CG 4.02Å; W132-L192 HydrophobicContact CZ2-CB 4.23Å; W132-L192 HydrophobicContact CZ2-CG 4.09Å; W132-L192 VanDerWaalsContact CZ2-O 3.27Å; W132-L192 WeakPolarHBondContact CZ2-O 3.28Å; W132-L192 HydrophobicContact CZ3-CD1 3.95Å; W132-L192 HydrophobicContact CZ3-CG 3.94Å; P188-L192 PolarHBondContact O-N 3.39Å; L192-F194 PolarHBondContact O-N 3.07Å
193	W	84.8	Confident	67.9	Low	22 Å²	22	16.8 Å²	16.8	8%	0.083	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-28.3	168.9	-94.4	72.3	0	0	0	114.6	Y120 A189 F190 C191 I195 G196 H197 K365 C368 R369	Y120-W193 PolarHBondContact O-NE1 2.82Å; A189-W193 PolarHBondContact O-N 2.76Å; F190-W193 HydrophobicContact CD2-CB 3.36Å; F190-W193 HydrophobicContact CD2-CD2 4.25Å; F190-W193 HydrophobicContact CD2-CE3 4.33Å; F190-W193 AromaticContact CD2-CG 3.88Å; F190-W193 HydrophobicContact CD2-CG 3.88Å; F190-W193 HydrophobicContact CE2-CB 3.89Å; F190-W193 HydrophobicContact CE2-CD2 4.47Å; F190-W193 HydrophobicContact CE2-CE3 4.1Å; F190-W193 HydrophobicContact CE2-CG 4.42Å; F190-W193 HydrophobicContact CG-CB 4.38Å; F190-W193 CarbonylContact O-C 2.72Å; F190-W193 VanDerWaalsContact O-CA 3.27Å; F190-W193 WeakPolarHBondContact O-CA 3.48Å; F190-W193 WeakPolarHBondContact O-CB 3.5Å; F190-W193 PolarHBondContact O-N 2.69Å; C191-W193 PolarHBondContact O-N 2.65Å; C191-W193 VanDerWaalsContact O-N 3.15Å; W193-I195 VanDerWaalsContact C-N 3.28Å; W193-I195 PolarHBondContact O-N 3.44Å; W193-G196 CarbonylContact O-C 3.21Å; W193-G196 WeakPolarHBondContact O-CA 3.28Å; W193-G196 PolarHBondContact O-N 2.82Å; W193-H197 VanDerWaalsContact C-N 3.34Å; W193-H197 HydrophobicContact CB-CB 4.16Å; W193-H197 AromaticContact CD2-ND1 3.67Å; W193-H197 HydrophobicContact CE3-CB 3.77Å; W193-H197 AromaticContact CE3-CD2 3.82Å; W193-H197 AromaticContact CE3-CE1 3.47Å; W193-H197 VanDerWaalsContact CE3-CE1 3.47Å; W193-H197 AromaticContact CE3-CG 3.32Å; W193-H197 AromaticContact CE3-ND1 3.09Å; W193-H197 AromaticContact CE3-NE2 3.9Å; W193-H197 AromaticContact CZ3-CD2 3.94Å; W193-H197 AromaticContact CZ3-CE1 3.65Å; W193-H197 AromaticContact CZ3-CG 3.93Å; W193-H197 AromaticContact CZ3-ND1 3.76Å; W193-H197 AromaticContact CZ3-NE2 3.77Å; W193-H197 WeakPolarHBondContact O-CA 3.29Å; W193-H197 WeakPolarHBondContact O-CB 3.36Å; W193-H197 PolarHBondContact O-N 3.22Å; W193-H197 PolarHBondContact O-ND1 2.99Å; W193-K365 HydrophobicContact CZ2-CG 4.35Å; W193-C368 HydrophobicContact CD2-CB 3.37Å; W193-C368 HydrophobicContact CE3-CB 3.5Å; W193-C368 HydrophobicContact CG-CB 3.85Å; W193-C368 HydrophobicContact CH2-CB 4.24Å; W193-C368 HydrophobicContact CZ2-CB 4.02Å; W193-C368 HydrophobicContact CZ3-CB 3.97Å; W193-R369 HydrophobicContact CH2-CG 3.55Å; W193-R369 HydrophobicContact CZ3-CG 3.73Å
194	F	70.1	Confident	66.4	Low	11 Å²	11	14.9 Å²	14.9	5%	0.048	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-33.3	-177.8	-164.5	-88.3	0	0	0	114.9	V8 V10 V163 I176 F190 C191 L192 G196 H197 N198	V8-F194 HydrophobicContact CB-CD1 4.37Å; V8-F194 HydrophobicContact CB-CE1 3.47Å; V8-F194 VanDerWaalsContact CB-CE1 3.47Å; V8-F194 HydrophobicContact CB-CE2 4.39Å; V8-F194 HydrophobicContact CB-CZ 3.52Å; V8-F194 HydrophobicContact CG1-CD1 4.06Å; V8-F194 HydrophobicContact CG1-CD2 4.36Å; V8-F194 HydrophobicContact CG1-CE1 3.53Å; V8-F194 HydrophobicContact CG1-CE2 3.85Å; V8-F194 HydrophobicContact CG1-CZ 3.45Å; V8-F194 VanDerWaalsContact CG1-CZ 3.45Å; V8-F194 HydrophobicContact CG2-CE1 4.05Å; V8-F194 HydrophobicContact CG2-CE2 4.45Å; V8-F194 HydrophobicContact CG2-CZ 3.61Å; V10-F194 HydrophobicContact CG1-CB 4.44Å; V10-F194 HydrophobicContact CG2-CB 3.82Å; V10-F194 HydrophobicContact CG2-CD1 3.5Å; V10-F194 VanDerWaalsContact CG2-CD1 3.5Å; V10-F194 HydrophobicContact CG2-CD2 4.4Å; V10-F194 HydrophobicContact CG2-CE1 4.41Å; V10-F194 HydrophobicContact CG2-CG 3.59Å; V163-F194 HydrophobicContact CB-CD1 4.4Å; V163-F194 HydrophobicContact CB-CE1 3.84Å; V163-F194 HydrophobicContact CG1-CE1 4.2Å; V163-F194 HydrophobicContact CG2-CD1 3.58Å; V163-F194 HydrophobicContact CG2-CE1 3.53Å; I176-F194 HydrophobicContact CD1-CD2 3.85Å; I176-F194 HydrophobicContact CD1-CE2 3.75Å; F190-F194 PolarHBondContact O-N 2.76Å; C191-F194 PolarHBondContact O-N 3.29Å; L192-F194 PolarHBondContact O-N 3.07Å; F194-G196 VanDerWaalsContact C-CA 3.5Å; F194-G196 CarbonylContact O-C 3.5Å; F194-G196 WeakPolarHBondContact O-CA 3.4Å; F194-G196 PolarHBondContact O-N 1.89Å; F194-H197 VanDerWaalsContact CA-C 3.49Å; F194-H197 PolarHBondContact O-N 2.78Å; F194-N198 HydrophobicContact CB-CB 3.42Å; F194-N198 VanDerWaalsContact CB-CB 3.42Å; F194-N198 WeakPolarHBondContact CB-ND2 3.46Å; F194-N198 WeakPolarHBondContact CB-OD1 3.18Å; F194-N198 WeakPolarHBondContact CD2-O 3.04Å; F194-N198 HydrophobicContact CG-CB 4.47Å; F194-N198 VanDerWaalsContact N-N 3.13Å
195	I	61.9	Low	64.7	Low	25 Å²	25	19.6 Å²	19.6	13%	0.128	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	5.8	176.2	-62.5	89.5	0	0	0	108.8	V10 I12 W132 I136 L144 L161 V163 W193	V10-I195 HydrophobicContact CB-CD1 4.44Å; V10-I195 HydrophobicContact CG1-CD1 4.13Å; I12-I195 HydrophobicContact CD1-CD1 4.42Å; W132-I195 HydrophobicContact CH2-CB 3.68Å; W132-I195 HydrophobicContact CH2-CD1 3.82Å; W132-I195 HydrophobicContact CH2-CG1 4.02Å; W132-I195 HydrophobicContact CH2-CG2 4.24Å; W132-I195 HydrophobicContact CZ2-CB 3.89Å; W132-I195 HydrophobicContact CZ2-CG2 4.23Å; W132-I195 HydrophobicContact CZ3-CD1 4.49Å; I136-I195 HydrophobicContact CB-CG2 4.39Å; I136-I195 HydrophobicContact CG1-CG2 3.52Å; I136-I195 HydrophobicContact CG2-CG2 3.9Å; L144-I195 HydrophobicContact CD1-CG2 3.33Å; L144-I195 HydrophobicContact CD2-CG2 3.85Å; L144-I195 HydrophobicContact CG-CG2 4.26Å; L161-I195 HydrophobicContact CB-CD1 4.14Å; L161-I195 HydrophobicContact CB-CG1 4.05Å; L161-I195 HydrophobicContact CD1-CD1 3.86Å; L161-I195 HydrophobicContact CD1-CG1 3.69Å; L161-I195 HydrophobicContact CG-CD1 4.48Å; L161-I195 HydrophobicContact CG-CG1 4.49Å; V163-I195 HydrophobicContact CG2-CG1 4.32Å; W193-I195 VanDerWaalsContact C-N 3.28Å; W193-I195 PolarHBondContact O-N 3.44Å
196	G	56.5	Low	62.9	Low	43 Å²	43	16.2 Å²	16.2	44%	0.443	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn		-122.7	-7.8	119.4	0	0	0	0	0	125.1	W193 F194	W193-G196 CarbonylContact O-C 3.21Å; W193-G196 WeakPolarHBondContact O-CA 3.28Å; W193-G196 PolarHBondContact O-N 2.82Å; F194-G196 VanDerWaalsContact C-CA 3.5Å; F194-G196 CarbonylContact O-C 3.5Å; F194-G196 WeakPolarHBondContact O-CA 3.4Å; F194-G196 PolarHBondContact O-N 1.89Å
197	H	41.9	Very low	61.5	Low	54 Å²	54	20.4 Å²	20.4	25%	0.25	10%	0.101	C	C	.	.	S	Bend	trans	-165.5	-34.6	-159.6	-37.6	91.3	0	0	0	129.3	F190 W193 F194 F372	F190-H197 HydrophobicContact CD2-CB 4.49Å; F190-H197 HydrophobicContact CE2-CB 3.52Å; F190-H197 VanDerWaalsContact CZ-C 3.5Å; F190-H197 HydrophobicContact CZ-CB 4.09Å; F190-H197 WeakPolarHBondContact CZ-O 3.39Å; W193-H197 VanDerWaalsContact C-N 3.34Å; W193-H197 HydrophobicContact CB-CB 4.16Å; W193-H197 AromaticContact CD2-ND1 3.67Å; W193-H197 HydrophobicContact CE3-CB 3.77Å; W193-H197 AromaticContact CE3-CD2 3.82Å; W193-H197 AromaticContact CE3-CE1 3.47Å; W193-H197 VanDerWaalsContact CE3-CE1 3.47Å; W193-H197 AromaticContact CE3-CG 3.32Å; W193-H197 AromaticContact CE3-ND1 3.09Å; W193-H197 AromaticContact CE3-NE2 3.9Å; W193-H197 AromaticContact CZ3-CD2 3.94Å; W193-H197 AromaticContact CZ3-CE1 3.65Å; W193-H197 AromaticContact CZ3-CG 3.93Å; W193-H197 AromaticContact CZ3-ND1 3.76Å; W193-H197 AromaticContact CZ3-NE2 3.77Å; W193-H197 WeakPolarHBondContact O-CA 3.29Å; W193-H197 WeakPolarHBondContact O-CB 3.36Å; W193-H197 PolarHBondContact O-N 3.22Å; W193-H197 PolarHBondContact O-ND1 2.99Å; F194-H197 VanDerWaalsContact CA-C 3.49Å; F194-H197 PolarHBondContact O-N 2.78Å; H197-F372 VanDerWaalsContact CA-CD2 3.45Å; H197-F372 HydrophobicContact CB-CB 3.97Å; H197-F372 HydrophobicContact CB-CD2 3.45Å; H197-F372 VanDerWaalsContact CB-CD2 3.45Å; H197-F372 HydrophobicContact CB-CE2 4.07Å; H197-F372 HydrophobicContact CB-CG 3.84Å; H197-F372 AromaticContact CD2-CD1 3.68Å; H197-F372 AromaticContact CD2-CD2 3.7Å; H197-F372 AromaticContact CD2-CE1 3.85Å; H197-F372 AromaticContact CD2-CE2 3.86Å; H197-F372 AromaticContact CD2-CG 3.58Å; H197-F372 AromaticContact CD2-CZ 3.92Å; H197-F372 AromaticContact CG-CD2 3.96Å; H197-F372 WeakPolarHBondContact O-CD2 3.45Å
198	N	36.8	Very low	60.7	Low	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.			trans	-44.1	-171.3	-171.3	99.7	21.3	0	0	0	126.2	V10 I176 C178 F190 C191 F194	V10-N198 WeakPolarHBondContact CG1-ND2 3.43Å; I176-N198 WeakPolarHBondContact CD1-O 3.33Å; I176-N198 WeakPolarHBondContact CG2-OD1 3.29Å; C178-N198 VanDerWaalsContact SG-CG 3.57Å; C178-N198 PolarHBondContact SG-ND2 2.77Å; F190-N198 HydrophobicContact CG-CB 4.39Å; F190-N198 VanDerWaalsContact CZ-CA 3.48Å; F190-N198 WeakPolarHBondContact O-CA 3.3Å; F190-N198 WeakPolarHBondContact O-CB 3.17Å; C191-N198 VanDerWaalsContact CA-CB 3.48Å; C191-N198 VanDerWaalsContact CA-ND2 3.3Å; C191-N198 WeakPolarHBondContact CA-ND2 3.39Å; C191-N198 PolarHBondContact O-ND2 2.87Å; C191-N198 PolarHBondContact SG-ND2 3.02Å; F194-N198 HydrophobicContact CB-CB 3.42Å; F194-N198 VanDerWaalsContact CB-CB 3.42Å; F194-N198 WeakPolarHBondContact CB-ND2 3.46Å; F194-N198 WeakPolarHBondContact CB-OD1 3.18Å; F194-N198 WeakPolarHBondContact CD2-O 3.04Å; F194-N198 HydrophobicContact CG-CB 4.47Å; F194-N198 VanDerWaalsContact N-N 3.13Å
199	R	31.7	Very low	59.2	Low	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.			cis	91	0	-25	-136.5	174.9	160.3	80.3	-19.6	131.4	D177 C178 F190 C191 M272 H273 I347 L349	D177-R199 CarbonylContact O-C 3.59Å; C178-R199 PolarHBondContact SG-O 3.3Å; F190-R199 HydrophobicContact CB-CB 4.34Å; F190-R199 HydrophobicContact CD1-CB 3.08Å; F190-R199 HydrophobicContact CD1-CG 3.88Å; F190-R199 HydrophobicContact CE1-CB 3.41Å; F190-R199 VanDerWaalsContact CE1-CB 3.41Å; F190-R199 HydrophobicContact CE1-CG 4.3Å; F190-R199 HydrophobicContact CG-CB 3.99Å; C191-R199 WeakPolarHBondContact CA-O 3.25Å; R199-M272 HydrophobicContact CB-CB 4.35Å; R199-M272 HydrophobicContact CB-CE 3.75Å; R199-M272 HydrophobicContact CB-CG 4.22Å; R199-M272 HydrophobicContact CB-SD 4.27Å; R199-M272 HydrophobicContact CG-CB 3.47Å; R199-M272 VanDerWaalsContact CG-CB 3.47Å; R199-M272 HydrophobicContact CG-CE 3.69Å; R199-M272 HydrophobicContact CG-CG 3.63Å; R199-M272 HydrophobicContact CG-SD 3.57Å; R199-M272 VanDerWaalsContact CG-SD 3.57Å; R199-M272 PolarHBondContact NH1-SD 2.86Å; R199-H273 VanDerWaalsContact CZ-O 3.23Å; R199-H273 PolarHBondContact NE-O 3.11Å; R199-H273 PolarHBondContact NH2-O 3.06Å; R199-I347 VanDerWaalsContact NH1-CG2 3.31Å; R199-I347 PolarHBondContact NH1-O 3.22Å; R199-I347 PolarHBondContact NH2-O 2.88Å; R199-L349 VanDerWaalsContact CD-CD1 3.46Å; R199-L349 VanDerWaalsContact NH2-N 3.17Å
200	M	32.4	Very low	58.3	Low	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.				0	0	0	-72.5	-68.8	-147.1	0	0	124.3	D177 C178 G179 I186 S187 F190 M272 H273 L349	D177-M200 CarbonylContact C-O 3.53Å; D177-M200 PolarHBondContact O-N 2.83Å; C178-M200 CarbonylContact C-O 3.48Å; C178-M200 WeakPolarHBondContact CA-O 3.17Å; C178-M200 PolarHBondContact N-O 3.35Å; G179-M200 VanDerWaalsContact N-C 3.3Å; G179-M200 PolarHBondContact N-O 2.84Å; I186-M200 HydrophobicContact CG1-CE 4.08Å; I186-M200 WeakPolarHBondContact O-CE 3.49Å; S187-M200 VanDerWaalsContact C-CG 3.43Å; S187-M200 VanDerWaalsContact CA-CB 3.41Å; S187-M200 WeakPolarHBondContact CA-SD 3.25Å; S187-M200 VanDerWaalsContact CB-CB 3.45Å; S187-M200 VanDerWaalsContact O-CB 3.22Å; S187-M200 WeakPolarHBondContact O-CB 3.3Å; S187-M200 WeakPolarHBondContact O-CG 3.26Å; S187-M200 VanDerWaalsContact OG-CB 3.32Å; S187-M200 WeakPolarHBondContact OG-CB 3.5Å; S187-M200 PolarHBondContact OG-SD 3.16Å; F190-M200 HydrophobicContact CB-CE 3.24Å; F190-M200 HydrophobicContact CB-CG 4.17Å; F190-M200 HydrophobicContact CD1-CE 4.2Å; F190-M200 HydrophobicContact CG-CE 4.23Å; M200-M272 CarbonylContact C-O 3.54Å; M200-M272 WeakPolarHBondContact CA-O 3.44Å; M200-M272 VanDerWaalsContact O-O 3.12Å; M200-H273 VanDerWaalsContact SD-O 3.32Å; M200-L349 HydrophobicContact CE-CD1 3.01Å; M200-L349 HydrophobicContact CE-CG 4.39Å; M200-L349 HydrophobicContact SD-CD1 3.68Å
201	W	39.5	Very low	57.4	Low	24 Å²	24	34.3 Å²	34.3	9%	0.091	18%	0.184	C	C	.	.				0	0	0	177.7	-87.8	0	0	0	114	G179 I180 H181 A182 R183 E184 S187 K203 M272	G179-W201 PolarHBondContact N-O 2.96Å; G179-W201 VanDerWaalsContact O-CD1 3.28Å; I180-W201 WeakPolarHBondContact CA-O 3Å; I180-W201 WeakPolarHBondContact CB-O 3.28Å; I180-W201 VanDerWaalsContact CG1-O 3.25Å; I180-W201 WeakPolarHBondContact CG1-O 3.47Å; I180-W201 VanDerWaalsContact N-C 3.27Å; I180-W201 PolarHBondContact N-O 3.24Å; I180-W201 PolarHBondContact O-NE1 2.9Å; H181-W201 VanDerWaalsContact CB-C 3.4Å; H181-W201 HydrophobicContact CB-CB 3.36Å; H181-W201 HydrophobicContact CB-CD2 2.52Å; H181-W201 HydrophobicContact CB-CE3 2.99Å; H181-W201 HydrophobicContact CB-CG 2.9Å; H181-W201 HydrophobicContact CB-CH2 4.14Å; H181-W201 HydrophobicContact CB-CZ2 3.96Å; H181-W201 HydrophobicContact CB-CZ3 3.7Å; H181-W201 AromaticContact CD2-CD2 3.69Å; H181-W201 AromaticContact CD2-CE2 3.59Å; H181-W201 AromaticContact CD2-CE3 3.47Å; H181-W201 VanDerWaalsContact CD2-CE3 3.47Å; H181-W201 AromaticContact CD2-CH2 3.05Å; H181-W201 WeakPolarHBondContact CD2-CH2 3.33Å; H181-W201 AromaticContact CD2-CZ2 3.34Å; H181-W201 WeakPolarHBondContact CD2-CZ2 3.18Å; H181-W201 AromaticContact CD2-CZ3 3.08Å; H181-W201 WeakPolarHBondContact CD2-CZ3 3.47Å; H181-W201 AromaticContact CE1-CE3 3.99Å; H181-W201 AromaticContact CE1-CZ3 3.62Å; H181-W201 AromaticContact CG-CD2 3.14Å; H181-W201 AromaticContact CG-CE2 3.62Å; H181-W201 AromaticContact CG-CE3 3Å; H181-W201 AromaticContact CG-CH2 3.62Å; H181-W201 AromaticContact CG-CZ2 3.84Å; H181-W201 AromaticContact CG-CZ3 3.18Å; H181-W201 VanDerWaalsContact N-CB 3.27Å; H181-W201 PolarHBondContact N-O 3.09Å; H181-W201 AromaticContact ND1-CD2 3.95Å; H181-W201 AromaticContact ND1-CE3 3.38Å; H181-W201 AromaticContact ND1-CZ3 3.5Å; H181-W201 WeakPolarHBondContact ND1-CZ3 3.26Å; H181-W201 AromaticContact NE2-CH2 3.54Å; H181-W201 AromaticContact NE2-CZ3 3.42Å; H181-W201 WeakPolarHBondContact NE2-CZ3 3.04Å; H181-W201 PolarHBondContact O-NE1 3.46Å; A182-W201 HydrophobicContact CB-CZ2 4.37Å; R183-W201 HydrophobicContact CB-CH2 4.47Å; R183-W201 HydrophobicContact CB-CZ3 4.12Å; R183-W201 HydrophobicContact CG-CE3 4Å; R183-W201 HydrophobicContact CG-CH2 3.64Å; R183-W201 HydrophobicContact CG-CZ3 3.16Å; E184-W201 HydrophobicContact CB-CB 4.37Å; E184-W201 HydrophobicContact CB-CD2 4.33Å; E184-W201 HydrophobicContact CB-CE3 3.83Å; E184-W201 HydrophobicContact CG-CD2 4.44Å; E184-W201 HydrophobicContact CG-CE3 3.58Å; E184-W201 HydrophobicContact CG-CZ3 4.44Å; E184-W201 VanDerWaalsContact N-CE3 3.29Å; E184-W201 VanDerWaalsContact OE2-CA 3.31Å; E184-W201 WeakPolarHBondContact OE2-CA 3.33Å; E184-W201 WeakPolarHBondContact OE2-CB 3.49Å; S187-W201 PolarHBondContact OG-N 3.39Å; W201-K203 HydrophobicContact CZ2-CB 4.46Å; W201-K203 PolarHBondContact NE1-O 3.16Å; W201-K203 VanDerWaalsContact NE1-O 3.11Å; W201-M272 CarbonylContact C-O 3.57Å; W201-M272 WeakPolarHBondContact CA-O 3.4Å; W201-M272 PolarHBondContact N-O 2.7Å
202	R	45.5	Very low	56.6	Low	14 Å²	14	42.1 Å²	42.1	5%	0.053	22%	0.22	C	C	.	.				0	-96.2	0	178.2	175.7	177.9	-145	-8.7	130.8	I180 H181 D217 L218 N219 E239 H273 Y326	I180-R202 VanDerWaalsContact C-CA 3.49Å; I180-R202 VanDerWaalsContact C-N 3.35Å; I180-R202 CarbonylContact C-O 3.34Å; I180-R202 VanDerWaalsContact CB-N 3.27Å; I180-R202 WeakPolarHBondContact CG2-O 3.48Å; I180-R202 CarbonylContact O-C 3.57Å; H181-R202 VanDerWaalsContact CB-C 3.41Å; H181-R202 HydrophobicContact CB-CB 3.33Å; H181-R202 HydrophobicContact CB-CG 4.03Å; H181-R202 VanDerWaalsContact CG-CG 3.44Å; H181-R202 WeakPolarHBondContact ND1-CB 3.3Å; R202-D217 WeakPolarHBondContact CG-OD1 3.4Å; R202-D217 IonicContact CZ-OD2 3.97Å; R202-D217 IonicContact NE-OD1 2.64Å; R202-D217 PolarHBondContact NE-OD1 3.41Å; R202-D217 IonicContact NE-OD2 3.72Å; R202-D217 PolarHBondContact NE-OD2 3.43Å; R202-D217 IonicContact NH2-OD2 2.86Å; R202-D217 PolarHBondContact NH2-OD2 2.52Å; R202-L218 VanDerWaalsContact O-CB 3.3Å; R202-L218 WeakPolarHBondContact O-CB 3.4Å; R202-N219 HydrophobicContact CB-CB 4.03Å; R202-N219 HydrophobicContact CG-CB 3.68Å; R202-N219 PolarHBondContact O-N 3.39Å; R202-E239 PolarHBondContact NH2-O 2.69Å; R202-H273 VanDerWaalsContact CB-CE1 3.46Å; R202-H273 WeakPolarHBondContact CB-CE1 2.91Å; R202-H273 VanDerWaalsContact CB-ND1 3.29Å; R202-H273 WeakPolarHBondContact CB-ND1 3.38Å; R202-H273 PolarHBondContact N-ND1 3.38Å; R202-Y326 PolarHBondContact NH1-OH 2.77Å; R202-Y326 VanDerWaalsContact NH1-OH 3.17Å
203	K	42.7	Very low	55.1	Low	15 Å²	15	44.4 Å²	44.4	7%	0.065	24%	0.235	C	C	.	.			trans	-103.3	148.9	-176.5	-56.3	-140.1	-58.5	171	0	122.5	I180 H181 W201 G215 D217 E239	I180-K203 CarbonylContact O-C 3.07Å; I180-K203 WeakPolarHBondContact O-CA 3.08Å; I180-K203 PolarHBondContact O-N 2.92Å; H181-K203 VanDerWaalsContact CD2-CG 3.43Å; H181-K203 WeakPolarHBondContact CD2-CG 3.07Å; H181-K203 PolarHBondContact CD2-N 3.4Å; H181-K203 VanDerWaalsContact CG-N 3.27Å; H181-K203 VanDerWaalsContact N-N 3.1Å; W201-K203 HydrophobicContact CZ2-CB 4.46Å; W201-K203 PolarHBondContact NE1-O 3.16Å; W201-K203 VanDerWaalsContact NE1-O 3.11Å; K203-G215 PolarHBondContact NZ-O 2.76Å; K203-D217 VanDerWaalsContact CD-CA 3.46Å; K203-D217 HydrophobicContact CD-CB 3.45Å; K203-D217 VanDerWaalsContact CD-CB 3.45Å; K203-D217 HydrophobicContact CG-CB 3.7Å; K203-E239 WeakPolarHBondContact CE-OE2 3.42Å; K203-E239 IonicContact NZ-OE2 2.95Å; K203-E239 PolarHBondContact NZ-OE2 3.5Å
204	N	47.3	Very low	53.4	Low	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.251	C	S	.	.			trans	-99	-163.5	-177.8	88.4	-10	0	0	0	119.5	F15 S206 G215 T216 L218 E249 E251	F15-N204 HydrophobicContact CZ-CB 4.16Å; N204-S206 PolarHBondContact OD1-N 3Å; N204-S206 PolarHBondContact OD1-OG 2.85Å; N204-G215 WeakPolarHBondContact O-CA 3.44Å; N204-T216 PolarHBondContact N-O 3.31Å; N204-T216 WeakPolarHBondContact OD1-CA 3.07Å; N204-T216 PolarHBondContact OD1-N 2.74Å; N204-T216 PolarHBondContact OD1-O 3.45Å; N204-T216 VanDerWaalsContact OD1-O 3.06Å; N204-L218 HydrophobicContact CB-CD1 3.67Å; N204-L218 HydrophobicContact CB-CD2 3.6Å; N204-L218 HydrophobicContact CB-CG 3.67Å; N204-L218 VanDerWaalsContact CG-CD2 3.45Å; N204-E249 PolarHBondContact ND2-OE2 2.92Å; N204-E251 PolarHBondContact ND2-OE2 3.07Å
205	R	48.1	Very low	52.4	Low	103 Å²	103	46.8 Å²	46.8	39%	0.389	25%	0.25	S	C	.	.			trans	-125.8	24	-173.3	-66.9	-63.8	-60	173.4	-4.8	116	F15 E154 I214	F15-R205 HydrophobicContact CB-CG 4.39Å; F15-R205 HydrophobicContact CD1-CB 3.96Å; F15-R205 HydrophobicContact CD1-CG 3.5Å; F15-R205 HydrophobicContact CD2-CG 4.24Å; F15-R205 HydrophobicContact CE1-CB 3.82Å; F15-R205 HydrophobicContact CE1-CG 3.76Å; F15-R205 HydrophobicContact CE2-CG 4.47Å; F15-R205 HydrophobicContact CG-CG 3.77Å; F15-R205 HydrophobicContact CZ-CB 4.44Å; F15-R205 HydrophobicContact CZ-CG 4.25Å; E154-R205 IonicContact OE1-NE 2.66Å; R205-I214 WeakPolarHBondContact O-CG2 3.49Å
206	S	50.8	Low	52.3	Low	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.244	C	C	.	.			trans	-73.3	157.9	-178.7	64.2	0	0	0	0	114.9	N204 Y208 I214 G215 T216 E249	N204-S206 PolarHBondContact OD1-N 3Å; N204-S206 PolarHBondContact OD1-OG 2.85Å; S206-Y208 WeakPolarHBondContact OG-CE2 3.31Å; S206-I214 CarbonylContact O-C 3.56Å; S206-I214 WeakPolarHBondContact O-CA 3.39Å; S206-I214 WeakPolarHBondContact O-CG2 2.81Å; S206-G215 PolarHBondContact O-N 3.42Å; S206-T216 PolarHBondContact OG-OG1 3.12Å; S206-E249 WeakPolarHBondContact CB-OE2 3.44Å; S206-E249 PolarHBondContact OG-OE2 3.46Å
207	F	66.6	Low	52.6	Low	89 Å²	89	43.6 Å²	43.6	39%	0.39	22%	0.223	S	C	.	.			trans	-138.7	140.2	169.3	-172.9	-105.4	0	0	0	111.2	F153 N211 I214	F153-F207 HydrophobicContact CE1-CB 4.16Å; F153-F207 WeakPolarHBondContact CE2-O 3.4Å; F153-F207 HydrophobicContact CZ-CB 4Å; F153-F207 WeakPolarHBondContact CZ-O 3.45Å; F207-N211 HydrophobicContact CD2-CB 4.38Å; F207-N211 HydrophobicContact CE2-CB 4.06Å; F207-N211 WeakPolarHBondContact CE2-O 2.84Å; F207-N211 WeakPolarHBondContact CZ-O 3.49Å; F207-I214 HydrophobicContact CB-CG1 4.3Å; F207-I214 HydrophobicContact CD2-CG1 3.82Å; F207-I214 HydrophobicContact CG-CG1 4.35Å
208	Y	74.4	Confident	53.3	Low	37 Å²	37	41 Å²	41	15%	0.145	21%	0.211	C	C	.	.			trans	-128.4	151.6	-177.8	-61.8	-79.6	0	0	0	110.6	S206 N210 N211 L244 S248 E249	S206-Y208 WeakPolarHBondContact OG-CE2 3.31Å; Y208-N210 PolarHBondContact O-N 3.27Å; Y208-N211 WeakPolarHBondContact O-CB 3.18Å; Y208-N211 PolarHBondContact O-N 3.37Å; Y208-L244 HydrophobicContact CD1-CD1 3.32Å; Y208-L244 HydrophobicContact CD1-CG 3.99Å; Y208-L244 HydrophobicContact CD2-CD1 4.17Å; Y208-L244 HydrophobicContact CD2-CD2 4.46Å; Y208-L244 HydrophobicContact CD2-CG 3.89Å; Y208-L244 HydrophobicContact CE1-CD1 3.78Å; Y208-L244 HydrophobicContact CE1-CG 4.32Å; Y208-L244 HydrophobicContact CE2-CG 4.24Å; Y208-L244 HydrophobicContact CG-CD1 3.54Å; Y208-L244 HydrophobicContact CG-CD2 4.27Å; Y208-L244 HydrophobicContact CG-CG 3.75Å; Y208-S248 PolarHBondContact OH-O 3.12Å; Y208-E249 WeakPolarHBondContact CE2-OE1 3.45Å; Y208-E249 VanDerWaalsContact OH-CD 3.27Å; Y208-E249 PolarHBondContact OH-OE1 3.18Å; Y208-E249 VanDerWaalsContact OH-OE1 3.07Å; Y208-E249 PolarHBondContact OH-OE2 2.95Å
209	A	57.1	Low	54.1	Low	87 Å²	87	41.5 Å²	41.5	72%	0.719	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	134.6	176.6	0	0	0	0	0	110.7	N211	A209-N211 VanDerWaalsContact C-N 3.28Å; A209-N211 PolarHBondContact O-N 3.13Å
210	N	73.1	Confident	56.1	Low	158 Å²	158	41.7 Å²	41.7	85%	0.845	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	4.8	-173.4	-45.6	-39.8	0	0	0	116.3	Y208	Y208-N210 PolarHBondContact O-N 3.27Å
211	N	71.8	Confident	58.8	Low	26 Å²	26	41.7 Å²	41.7	14%	0.139	21%	0.214	C	C	.	.			trans	-75.9	146	163	-79.1	16	0	0	0	110.5	F207 Y208 A209 S236 Y241	F207-N211 HydrophobicContact CD2-CB 4.38Å; F207-N211 HydrophobicContact CE2-CB 4.06Å; F207-N211 WeakPolarHBondContact CE2-O 2.84Å; F207-N211 WeakPolarHBondContact CZ-O 3.49Å; Y208-N211 WeakPolarHBondContact O-CB 3.18Å; Y208-N211 PolarHBondContact O-N 3.37Å; A209-N211 VanDerWaalsContact C-N 3.28Å; A209-N211 PolarHBondContact O-N 3.13Å; N211-S236 VanDerWaalsContact CG-CB 3.43Å; N211-S236 VanDerWaalsContact ND2-CB 3.33Å; N211-S236 WeakPolarHBondContact ND2-CB 3.45Å; N211-Y241 WeakPolarHBondContact ND2-CE1 3.26Å; N211-Y241 PolarHBondContact ND2-OH 3.49Å; N211-Y241 VanDerWaalsContact ND2-OH 3.12Å
212	H	70.6	Confident	60.5	Low	167 Å²	167	40.6 Å²	40.6	77%	0.773	21%	0.21	S	C	*	.	S	Bend	trans	-91.2	-19.9	177.4	-67.7	-70.6	0	0	0	113.1	S236 C237	H212-S236 PolarHBondContact N-OG 3.29Å; H212-C237 VanDerWaalsContact CB-SG 3.58Å
213	C	53.8	Low	62.3	Low	49 Å²	49	41.9 Å²	41.9	33%	0.331	22%	0.224	S	C	.	.	S	Bend	trans	-140.7	169.6	179.3	-60.8	0	0	0	0	112.5	S236 C237	C213-S236 WeakPolarHBondContact CB-O 3.36Å; C213-S236 PolarHBondContact N-OG 3.17Å; C213-C237 HydrophobicContact CB-CB 3.81Å; C213-C237 WeakPolarHBondContact CB-SG 3.46Å; C213-C237 VanDerWaalsContact SG-CA 3.54Å; C213-C237 WeakPolarHBondContact SG-CB 2.94Å; C213-C237 CovalentContact SG-SG 2.04Å; C213-C237 PolarHBondContact SG-SG 2.68Å
214	I	48.8	Very low	63.7	Low	82 Å²	82	41.6 Å²	41.6	42%	0.421	22%	0.224	S	C	.	.			trans	-100.8	138	-176.4	-57.9	172.8	0	0	0	110.2	R205 S206 F207	R205-I214 WeakPolarHBondContact O-CG2 3.49Å; S206-I214 CarbonylContact O-C 3.56Å; S206-I214 WeakPolarHBondContact O-CA 3.39Å; S206-I214 WeakPolarHBondContact O-CG2 2.81Å; F207-I214 HydrophobicContact CB-CG1 4.3Å; F207-I214 HydrophobicContact CD2-CG1 3.82Å; F207-I214 HydrophobicContact CG-CG1 4.35Å
215	G	49.2	Very low	64.7	Low	2 Å²	2	49.1 Å²	49.1	2%	0.021	26%	0.256	C	S	.	.			trans	102.6	100.1	163.3	0	0	0	0	0	115.6	K203 N204 S206	K203-G215 PolarHBondContact NZ-O 2.76Å; N204-G215 WeakPolarHBondContact O-CA 3.44Å; S206-G215 PolarHBondContact O-N 3.42Å
216	T	59.3	Low	66.3	Low	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.			trans	-70.3	142.6	168.2	-64.8	0	0	0	0	112.1	N204 S206 L218 N221 Y241 G243 E249	N204-T216 PolarHBondContact N-O 3.31Å; N204-T216 WeakPolarHBondContact OD1-CA 3.07Å; N204-T216 PolarHBondContact OD1-N 2.74Å; N204-T216 PolarHBondContact OD1-O 3.45Å; N204-T216 VanDerWaalsContact OD1-O 3.06Å; S206-T216 PolarHBondContact OG-OG1 3.12Å; T216-L218 HydrophobicContact CG2-CD2 4.43Å; T216-L218 PolarHBondContact O-N 2.85Å; T216-N221 HydrophobicContact CG2-CB 3.83Å; T216-Y241 WeakPolarHBondContact OG1-CD1 3.14Å; T216-Y241 WeakPolarHBondContact OG1-CE1 3.05Å; T216-G243 WeakPolarHBondContact OG1-CA 3.43Å; T216-E249 VanDerWaalsContact CB-OE1 3.25Å; T216-E249 WeakPolarHBondContact CB-OE1 3.35Å; T216-E249 HydrophobicContact CG2-CG 3.44Å; T216-E249 VanDerWaalsContact CG2-CG 3.44Å; T216-E249 WeakPolarHBondContact CG2-OE1 3.4Å; T216-E249 PolarHBondContact OG1-OE1 2.82Å; T216-E249 PolarHBondContact OG1-OE2 3.15Å
217	D	63	Low	68.1	Low	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.			trans	-74.2	104.2	165.3	-167.5	-21.1	0	0	0	109.1	R202 K203 N219 R220 N221 Y241	R202-D217 WeakPolarHBondContact CG-OD1 3.4Å; R202-D217 IonicContact CZ-OD2 3.97Å; R202-D217 IonicContact NE-OD1 2.64Å; R202-D217 PolarHBondContact NE-OD1 3.41Å; R202-D217 IonicContact NE-OD2 3.72Å; R202-D217 PolarHBondContact NE-OD2 3.43Å; R202-D217 IonicContact NH2-OD2 2.86Å; R202-D217 PolarHBondContact NH2-OD2 2.52Å; K203-D217 VanDerWaalsContact CD-CA 3.46Å; K203-D217 HydrophobicContact CD-CB 3.45Å; K203-D217 VanDerWaalsContact CD-CB 3.45Å; K203-D217 HydrophobicContact CG-CB 3.7Å; D217-N219 PolarHBondContact O-N 2.96Å; D217-N219 WeakPolarHBondContact OD1-CA 3.21Å; D217-N219 PolarHBondContact OD1-N 2.85Å; D217-R220 HydrophobicContact CB-CB 3.87Å; D217-R220 HydrophobicContact CB-CG 3.64Å; D217-R220 VanDerWaalsContact CG-CG 3.42Å; D217-R220 CarbonylContact O-C 3.02Å; D217-R220 WeakPolarHBondContact O-CA 3.43Å; D217-R220 WeakPolarHBondContact O-CB 3.38Å; D217-R220 PolarHBondContact O-N 3.05Å; D217-R220 PolarHBondContact OD1-N 2.68Å; D217-R220 WeakPolarHBondContact OD2-CG 3.43Å; D217-N221 WeakPolarHBondContact O-CB 3.14Å; D217-N221 PolarHBondContact O-N 3.33Å; D217-Y241 WeakPolarHBondContact CB-O 3.24Å; D217-Y241 PolarHBondContact N-O 2.62Å
218	L	55.8	Low	69	Low	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63	-33.3	179.6	-58.5	-165.3	0	0	0	110.8	I180 R202 N204 T216 R220 N221 F222 E249 E251 V252	I180-L218 HydrophobicContact CG2-CB 3.32Å; I180-L218 HydrophobicContact CG2-CD1 3.18Å; I180-L218 HydrophobicContact CG2-CG 3.68Å; R202-L218 VanDerWaalsContact O-CB 3.3Å; R202-L218 WeakPolarHBondContact O-CB 3.4Å; N204-L218 HydrophobicContact CB-CD1 3.67Å; N204-L218 HydrophobicContact CB-CD2 3.6Å; N204-L218 HydrophobicContact CB-CG 3.67Å; N204-L218 VanDerWaalsContact CG-CD2 3.45Å; T216-L218 HydrophobicContact CG2-CD2 4.43Å; T216-L218 PolarHBondContact O-N 2.85Å; L218-R220 PolarHBondContact O-N 2.96Å; L218-N221 PolarHBondContact O-N 2.94Å; L218-F222 WeakPolarHBondContact O-CD2 3.41Å; L218-F222 WeakPolarHBondContact O-CE2 3.21Å; L218-E249 HydrophobicContact CD2-CB 3.41Å; L218-E249 VanDerWaalsContact CD2-CB 3.41Å; L218-E249 HydrophobicContact CD2-CG 3.41Å; L218-E249 VanDerWaalsContact CD2-CG 3.41Å; L218-E251 HydrophobicContact CD1-CB 3.68Å; L218-E251 HydrophobicContact CD1-CG 4.39Å; L218-V252 HydrophobicContact CB-CG2 3.4Å; L218-V252 HydrophobicContact CD1-CG2 4Å; L218-V252 HydrophobicContact CD2-CG2 3.66Å; L218-V252 HydrophobicContact CG-CG2 3.84Å
219	N	53.6	Low	69.6	Low	10 Å²	10	50 Å²	50	5%	0.053	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-81.2	19	170.9	-140.3	35.4	0	0	0	112.9	R202 D217 G330 G331 G332	R202-N219 HydrophobicContact CB-CB 4.03Å; R202-N219 HydrophobicContact CG-CB 3.68Å; R202-N219 PolarHBondContact O-N 3.39Å; D217-N219 PolarHBondContact O-N 2.96Å; D217-N219 WeakPolarHBondContact OD1-CA 3.21Å; D217-N219 PolarHBondContact OD1-N 2.85Å; N219-G330 CarbonylContact C-O 3.59Å; N219-G330 VanDerWaalsContact C-O 3.25Å; N219-G330 CarbonylContact O-C 2.78Å; N219-G331 WeakPolarHBondContact O-CA 3.39Å; N219-G331 PolarHBondContact O-N 3.03Å; N219-G331 VanDerWaalsContact OD1-CA 3.23Å; N219-G331 WeakPolarHBondContact OD1-CA 3.42Å; N219-G332 PolarHBondContact OD1-N 3.17Å
220	R	73.9	Confident	70.3	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.015	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-126.9	3.1	157.1	-56	-66.6	-176.7	-91.3	3.1	112.2	D217 L218 W227 G231 A232 C242 P329 G330	D217-R220 HydrophobicContact CB-CB 3.87Å; D217-R220 HydrophobicContact CB-CG 3.64Å; D217-R220 VanDerWaalsContact CG-CG 3.42Å; D217-R220 CarbonylContact O-C 3.02Å; D217-R220 WeakPolarHBondContact O-CA 3.43Å; D217-R220 WeakPolarHBondContact O-CB 3.38Å; D217-R220 PolarHBondContact O-N 3.05Å; D217-R220 PolarHBondContact OD1-N 2.68Å; D217-R220 WeakPolarHBondContact OD2-CG 3.43Å; L218-R220 PolarHBondContact O-N 2.96Å; R220-W227 PolarHBondContact O-NE1 2.79Å; R220-G231 PolarHBondContact NE-O 2.86Å; R220-A232 HydrophobicContact CB-CB 4.25Å; R220-A232 HydrophobicContact CG-CB 4.23Å; R220-C242 HydrophobicContact CB-CB 4.36Å; R220-P329 WeakPolarHBondContact CA-O 3.48Å; R220-P329 WeakPolarHBondContact CD-O 3.23Å; R220-G330 CarbonylContact C-O 3.38Å; R220-G330 WeakPolarHBondContact CA-O 3.17Å; R220-G330 PolarHBondContact N-O 2.65Å
221	N	89.1	Confident	69.8	Low	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.6	-173.3	-169.5	-107	0	0	0	114.3	T216 D217 L218 C242 Y245 P246 E247 S248 E249 V252 G330	T216-N221 HydrophobicContact CG2-CB 3.83Å; D217-N221 WeakPolarHBondContact O-CB 3.14Å; D217-N221 PolarHBondContact O-N 3.33Å; L218-N221 PolarHBondContact O-N 2.94Å; N221-C242 PolarHBondContact ND2-O 3.34Å; N221-Y245 PolarHBondContact ND2-O 3.25Å; N221-P246 CarbonylContact O-C 3.11Å; N221-P246 WeakPolarHBondContact O-CA 3.42Å; N221-E247 PolarHBondContact O-N 3.16Å; N221-E247 WeakPolarHBondContact OD1-CA 3.34Å; N221-E247 PolarHBondContact OD1-N 2.01Å; N221-S248 PolarHBondContact ND2-OG 3.05Å; N221-S248 PolarHBondContact OD1-N 2.81Å; N221-E249 HydrophobicContact CB-CG 4.14Å; N221-E249 WeakPolarHBondContact OD1-CG 3.17Å; N221-E249 PolarHBondContact OD1-N 3.34Å; N221-V252 HydrophobicContact CB-CG2 4.34Å; N221-G330 PolarHBondContact N-O 3.07Å
222	F	76.4	Confident	70.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-66	150.7	173.9	-69.4	-91	0	0	0	111.2	L218 S224 V252 V255 A256 G330 G332 W335	L218-F222 WeakPolarHBondContact O-CD2 3.41Å; L218-F222 WeakPolarHBondContact O-CE2 3.21Å; F222-S224 PolarHBondContact O-N 2.78Å; F222-V252 HydrophobicContact CD1-CG1 3.87Å; F222-V252 HydrophobicContact CD2-CG1 4.46Å; F222-V252 HydrophobicContact CD2-CG2 4.41Å; F222-V252 HydrophobicContact CE1-CG1 3.98Å; F222-V252 HydrophobicContact CE2-CG2 4.01Å; F222-V252 HydrophobicContact CG-CG1 4.13Å; F222-V252 HydrophobicContact CZ-CG1 4.32Å; F222-V252 HydrophobicContact CZ-CG2 4.08Å; F222-V255 HydrophobicContact CE1-CG1 4.09Å; F222-V255 HydrophobicContact CZ-CG1 4.1Å; F222-A256 HydrophobicContact CD1-CB 4.21Å; F222-A256 HydrophobicContact CE1-CB 4.2Å; F222-G330 WeakPolarHBondContact CB-O 3.33Å; F222-G330 PolarHBondContact N-O 3.04Å; F222-G330 VanDerWaalsContact N-O 3.1Å; F222-G332 VanDerWaalsContact CD2-N 3.31Å; F222-W335 HydrophobicContact CB-CB 3.66Å; F222-W335 HydrophobicContact CB-CD2 4.07Å; F222-W335 HydrophobicContact CB-CE3 4.45Å; F222-W335 HydrophobicContact CB-CG 3.73Å; F222-W335 AromaticContact CD1-CD2 3.77Å; F222-W335 HydrophobicContact CD1-CD2 3.77Å; F222-W335 AromaticContact CD1-CE3 3.43Å; F222-W335 HydrophobicContact CD1-CE3 3.43Å; F222-W335 VanDerWaalsContact CD1-CE3 3.43Å; F222-W335 HydrophobicContact CD1-CG 4.34Å; F222-W335 AromaticContact CD1-CZ3 3.87Å; F222-W335 HydrophobicContact CD1-CZ3 3.87Å; F222-W335 AromaticContact CE1-CE3 3.97Å; F222-W335 HydrophobicContact CE1-CE3 3.97Å; F222-W335 HydrophobicContact CE1-CZ3 4.03Å; F222-W335 HydrophobicContact CG-CB 4.43Å; F222-W335 HydrophobicContact CG-CD2 4.31Å; F222-W335 HydrophobicContact CG-CE3 4.21Å; F222-W335 HydrophobicContact CG-CG 4.43Å
223	A	83.3	Confident	71	Confident	42 Å²	42	39.4 Å²	39.4	35%	0.347	21%	0.208	S	C	.	.			trans	-74.8	49	-174.6	0	0	0	0	0	114.2	P246 E247	A223-P246 HydrophobicContact CB-CB 3.83Å; A223-E247 HydrophobicContact CB-CG 4.39Å
224	S	71.4	Confident	72.8	Confident	8 Å²	8	42 Å²	42	6%	0.056	23%	0.227	C	C	.	.			trans	-67.6	157.9	170.7	79.1	0	0	0	0	111.1	F222 H226 W227 G330	F222-S224 PolarHBondContact O-N 2.78Å; S224-H226 PolarHBondContact O-N 3.06Å; S224-W227 PolarHBondContact O-N 2.85Å; S224-G330 VanDerWaalsContact OG-CA 3.26Å; S224-G330 WeakPolarHBondContact OG-CA 3.32Å; S224-G330 PolarHBondContact OG-N 2.94Å
225	K	69.1	Low	74.6	Confident	166 Å²	166	41.1 Å²	41.1	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	-175.9	-171.6	179.3	178.7	-173.5	0	114.9
226	H	81.3	Confident	76.1	Confident	55 Å²	55	41.4 Å²	41.4	26%	0.255	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	34.9	-175.6	-68.8	-83.8	0	0	0	111.9	S224 C228 E229 Y285 P329	S224-H226 PolarHBondContact O-N 3.06Å; H226-C228 PolarHBondContact O-N 3.33Å; H226-E229 WeakPolarHBondContact CA-OE1 3.37Å; H226-E229 HydrophobicContact CB-CB 4.38Å; H226-E229 HydrophobicContact CB-CG 4.27Å; H226-E229 IonicContact CE1-OE1 2.76Å; H226-E229 IonicContact CE1-OE2 3.33Å; H226-E229 IonicContact CG-OE1 3.18Å; H226-E229 IonicContact CG-OE2 3.19Å; H226-E229 IonicContact ND1-OE1 2.74Å; H226-E229 PolarHBondContact ND1-OE1 3.3Å; H226-E229 IonicContact ND1-OE2 3.69Å; H226-E229 PolarHBondContact ND1-OE2 2.67Å; H226-E229 WeakPolarHBondContact O-CB 3.48Å; H226-E229 PolarHBondContact O-N 3.26Å; H226-Y285 HydrophobicContact CB-CD2 4.19Å; H226-Y285 HydrophobicContact CB-CG 4.49Å; H226-Y285 AromaticContact CD2-CD2 3.51Å; H226-Y285 AromaticContact CD2-CE2 3.43Å; H226-Y285 VanDerWaalsContact CD2-CE2 3.43Å; H226-Y285 WeakPolarHBondContact CD2-CE2 3.28Å; H226-P329 WeakPolarHBondContact O-CB 3.42Å
227	W	87.9	Confident	76.6	Confident	58 Å²	58	44.6 Å²	44.6	22%	0.22	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	133.3	-178.2	174.8	85.6	0	0	0	112.1	R220 S224 E229 C242 G243 Y245 P246	R220-W227 PolarHBondContact O-NE1 2.79Å; S224-W227 PolarHBondContact O-N 2.85Å; W227-E229 VanDerWaalsContact C-N 3.29Å; W227-E229 PolarHBondContact O-N 3.01Å; W227-C242 HydrophobicContact CZ2-CB 3.87Å; W227-C242 WeakPolarHBondContact CZ2-O 3.41Å; W227-C242 WeakPolarHBondContact CZ2-SG 3.33Å; W227-C242 PolarHBondContact NE1-O 2.81Å; W227-C242 VanDerWaalsContact NE1-O 3.09Å; W227-G243 WeakPolarHBondContact CZ2-O 3.15Å; W227-Y245 VanDerWaalsContact CH2-CA 3.41Å; W227-Y245 VanDerWaalsContact CZ2-C 3.41Å; W227-P246 HydrophobicContact CB-CG 4.15Å; W227-P246 HydrophobicContact CD2-CB 4.29Å; W227-P246 HydrophobicContact CD2-CG 3.59Å; W227-P246 HydrophobicContact CE3-CG 3.94Å; W227-P246 HydrophobicContact CG-CB 4.08Å; W227-P246 HydrophobicContact CG-CG 3.68Å
228	C	86	Confident	77.1	Confident	33 Å²	33	45.5 Å²	45.5	22%	0.223	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	15.1	-176.5	-144.4	0	0	0	0	117.1	H226 C242	H226-C228 PolarHBondContact O-N 3.33Å; C228-C242 HydrophobicContact CB-CB 3.54Å; C228-C242 WeakPolarHBondContact CB-SG 3.14Å; C228-C242 WeakPolarHBondContact SG-CB 3.48Å; C228-C242 CovalentContact SG-SG 2.04Å; C228-C242 PolarHBondContact SG-SG 3.31Å
229	E	87.9	Confident	76.9	Confident	103 Å²	103	49.3 Å²	49.3	48%	0.481	28%	0.276	S	S	.	.	S	Bend	trans	-83.1	-165	172.3	-64	-177.7	-150.3	0	0	113.1	H226 W227 G231 A232	H226-E229 WeakPolarHBondContact CA-OE1 3.37Å; H226-E229 HydrophobicContact CB-CB 4.38Å; H226-E229 HydrophobicContact CB-CG 4.27Å; H226-E229 IonicContact CE1-OE1 2.76Å; H226-E229 IonicContact CE1-OE2 3.33Å; H226-E229 IonicContact CG-OE1 3.18Å; H226-E229 IonicContact CG-OE2 3.19Å; H226-E229 IonicContact ND1-OE1 2.74Å; H226-E229 PolarHBondContact ND1-OE1 3.3Å; H226-E229 IonicContact ND1-OE2 3.69Å; H226-E229 PolarHBondContact ND1-OE2 2.67Å; H226-E229 WeakPolarHBondContact O-CB 3.48Å; H226-E229 PolarHBondContact O-N 3.26Å; W227-E229 VanDerWaalsContact C-N 3.29Å; W227-E229 PolarHBondContact O-N 3.01Å; E229-G231 PolarHBondContact O-N 3.3Å; E229-A232 WeakPolarHBondContact O-CB 3.39Å; E229-A232 PolarHBondContact O-N 2.65Å
230	E	71	Confident	77.6	Confident	151 Å²	151	49.2 Å²	49.2	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	120.2	-174.8	-170.8	-173.6	153.5	0	0	112.7	L327 P329	E230-L327 HydrophobicContact CB-CD1 4.46Å; E230-L327 HydrophobicContact CG-CD1 4.06Å; E230-L327 WeakPolarHBondContact O-CB 3.35Å; E230-L327 WeakPolarHBondContact OE1-CD1 3.3Å; E230-P329 WeakPolarHBondContact O-CD 3.2Å; E230-P329 WeakPolarHBondContact O-CG 3.26Å
231	G	62.8	Low	78.3	Confident	15 Å²	15	49.3 Å²	49.3	16%	0.155	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	-8	-173.5	0	0	0	0	0	114.5	R220 E229 L327	R220-G231 PolarHBondContact NE-O 2.86Å; E229-G231 PolarHBondContact O-N 3.3Å; G231-L327 VanDerWaalsContact CA-O 3.29Å; G231-L327 WeakPolarHBondContact CA-O 3.41Å
232	A	80.6	Confident	78.1	Confident	18 Å²	18	49.4 Å²	49.4	15%	0.149	28%	0.276	C	S	.	.	S	Bend	trans	-111	-176.4	163.8	0	0	0	0	0	110.7	R220 E229 T240 C242 P329	R220-A232 HydrophobicContact CB-CB 4.25Å; R220-A232 HydrophobicContact CG-CB 4.23Å; E229-A232 WeakPolarHBondContact O-CB 3.39Å; E229-A232 PolarHBondContact O-N 2.65Å; A232-T240 CarbonylContact C-O 3.52Å; A232-C242 HydrophobicContact CB-CB 4.23Å; A232-P329 HydrophobicContact CB-CG 4Å
233	S	86.9	Confident	78.7	Confident	31 Å²	31	49.6 Å²	49.6	22%	0.217	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-147.7	144.5	173	-173.1	0	0	0	0	111.8	S235 S238 T240 Y241 C242	S233-S235 PolarHBondContact OG-N 3.11Å; S233-S235 VanDerWaalsContact OG-N 3.15Å; S233-S238 WeakPolarHBondContact CB-OG 3.45Å; S233-S238 WeakPolarHBondContact OG-CB 3.35Å; S233-T240 PolarHBondContact N-O 3.1Å; S233-Y241 CarbonylContact O-C 3.25Å; S233-Y241 VanDerWaalsContact O-CA 3.28Å; S233-Y241 WeakPolarHBondContact O-CA 3.42Å; S233-C242 PolarHBondContact O-N 2.9Å; S233-C242 PolarHBondContact O-SG 3.48Å; S233-C242 VanDerWaalsContact O-SG 3.35Å
234	S	90.6	Very high	79	Confident	104 Å²	104	51.5 Å²	51.5	73%	0.727	28%	0.282	S	S	*	.	S	Bend	trans	-84.7	-7.8	168.7	54.2	0	0	0	0	113.4
235	S	87.6	Confident	79.8	Confident	62 Å²	62	57.3 Å²	57.3	43%	0.434	30%	0.304	S	S	.	.			trans	-79.6	121.2	175.2	179.7	0	0	0	0	110.8	S233 C237 S238 Y241	S233-S235 PolarHBondContact OG-N 3.11Å; S233-S235 VanDerWaalsContact OG-N 3.15Å; S235-C237 PolarHBondContact O-N 3.38Å; S235-S238 WeakPolarHBondContact O-CB 3.17Å; S235-S238 PolarHBondContact O-N 2.68Å; S235-Y241 VanDerWaalsContact C-CD2 3.49Å; S235-Y241 WeakPolarHBondContact O-CB 3.35Å; S235-Y241 WeakPolarHBondContact O-CD2 3.29Å
236	S	80.3	Confident	80.6	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.063	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.6	176.2	62.7	0	0	0	0	115.3	N211 H212 C213	N211-S236 VanDerWaalsContact CG-CB 3.43Å; N211-S236 VanDerWaalsContact ND2-CB 3.33Å; N211-S236 WeakPolarHBondContact ND2-CB 3.45Å; H212-S236 PolarHBondContact N-OG 3.29Å; C213-S236 WeakPolarHBondContact CB-O 3.36Å; C213-S236 PolarHBondContact N-OG 3.17Å
237	C	69.7	Low	80.9	Confident	67 Å²	67	49.7 Å²	49.7	45%	0.453	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.6	178.3	-61.1	0	0	0	0	113.7	H212 C213 S235	H212-C237 VanDerWaalsContact CB-SG 3.58Å; C213-C237 HydrophobicContact CB-CB 3.81Å; C213-C237 WeakPolarHBondContact CB-SG 3.46Å; C213-C237 VanDerWaalsContact SG-CA 3.54Å; C213-C237 WeakPolarHBondContact SG-CB 2.94Å; C213-C237 CovalentContact SG-SG 2.04Å; C213-C237 PolarHBondContact SG-SG 2.68Å; S235-C237 PolarHBondContact O-N 3.38Å
238	S	73.2	Confident	80.8	Confident	19 Å²	19	47.4 Å²	47.4	13%	0.133	27%	0.268	C	S	.	.	S	Bend	trans	-84.7	142	173.8	-174.7	0	0	0	0	112	S233 S235 T240 Y241	S233-S238 WeakPolarHBondContact CB-OG 3.45Å; S233-S238 WeakPolarHBondContact OG-CB 3.35Å; S235-S238 WeakPolarHBondContact O-CB 3.17Å; S235-S238 PolarHBondContact O-N 2.68Å; S238-T240 PolarHBondContact O-N 3.47Å; S238-T240 PolarHBondContact OG-N 3.34Å; S238-T240 PolarHBondContact OG-OG1 2.83Å; S238-Y241 WeakPolarHBondContact O-CB 3.48Å; S238-Y241 PolarHBondContact O-N 3.1Å
239	E	52.8	Low	80.4	Confident	81 Å²	81	45.9 Å²	45.9	38%	0.379	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	8.4	166.3	-62.6	-71.1	-149.1	0	0	113.8	V57 R202 K203	V57-E239 HydrophobicContact CG2-CB 3.81Å; R202-E239 PolarHBondContact NH2-O 2.69Å; K203-E239 WeakPolarHBondContact CE-OE2 3.42Å; K203-E239 IonicContact NZ-OE2 2.95Å; K203-E239 PolarHBondContact NZ-OE2 3.5Å
240	T	68.4	Low	79.4	Confident	8 Å²	8	43 Å²	43	5%	0.049	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	21.4	168.3	61	0	0	0	0	112.8	V57 T58 A232 S233 S238 C242	V57-T240 HydrophobicContact CG1-CG2 3.93Å; V57-T240 HydrophobicContact CG2-CG2 4.47Å; T58-T240 HydrophobicContact CG2-CG2 4.11Å; A232-T240 CarbonylContact C-O 3.52Å; S233-T240 PolarHBondContact N-O 3.1Å; S238-T240 PolarHBondContact O-N 3.47Å; S238-T240 PolarHBondContact OG-N 3.34Å; S238-T240 PolarHBondContact OG-OG1 2.83Å; T240-C242 PolarHBondContact O-N 2.64Å
241	Y	87.3	Confident	79.3	Confident	6 Å²	6	36 Å²	36	2%	0.024	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-53.6	124.4	179.6	175.5	-131.9	0	0	0	111.6	N211 T216 D217 S233 S235 S238 G243 L244	N211-Y241 WeakPolarHBondContact ND2-CE1 3.26Å; N211-Y241 PolarHBondContact ND2-OH 3.49Å; N211-Y241 VanDerWaalsContact ND2-OH 3.12Å; T216-Y241 WeakPolarHBondContact OG1-CD1 3.14Å; T216-Y241 WeakPolarHBondContact OG1-CE1 3.05Å; D217-Y241 WeakPolarHBondContact CB-O 3.24Å; D217-Y241 PolarHBondContact N-O 2.62Å; S233-Y241 CarbonylContact O-C 3.25Å; S233-Y241 VanDerWaalsContact O-CA 3.28Å; S233-Y241 WeakPolarHBondContact O-CA 3.42Å; S235-Y241 VanDerWaalsContact C-CD2 3.49Å; S235-Y241 WeakPolarHBondContact O-CB 3.35Å; S235-Y241 WeakPolarHBondContact O-CD2 3.29Å; S238-Y241 WeakPolarHBondContact O-CB 3.48Å; S238-Y241 PolarHBondContact O-N 3.1Å; Y241-G243 PolarHBondContact O-N 3.24Å; Y241-G243 VanDerWaalsContact OH-C 3.26Å; Y241-L244 PolarHBondContact OH-N 2.98Å
242	C	86.3	Confident	79.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.007	21%	0.208	C	C	.	.			trans	-82.2	-11.1	-170.1	66.5	0	0	0	0	114.9	R220 N221 W227 C228 A232 S233 T240	R220-C242 HydrophobicContact CB-CB 4.36Å; N221-C242 PolarHBondContact ND2-O 3.34Å; W227-C242 HydrophobicContact CZ2-CB 3.87Å; W227-C242 WeakPolarHBondContact CZ2-O 3.41Å; W227-C242 WeakPolarHBondContact CZ2-SG 3.33Å; W227-C242 PolarHBondContact NE1-O 2.81Å; W227-C242 VanDerWaalsContact NE1-O 3.09Å; C228-C242 HydrophobicContact CB-CB 3.54Å; C228-C242 WeakPolarHBondContact CB-SG 3.14Å; C228-C242 WeakPolarHBondContact SG-CB 3.48Å; C228-C242 CovalentContact SG-SG 2.04Å; C228-C242 PolarHBondContact SG-SG 3.31Å; A232-C242 HydrophobicContact CB-CB 4.23Å; S233-C242 PolarHBondContact O-N 2.9Å; S233-C242 PolarHBondContact O-SG 3.48Å; S233-C242 VanDerWaalsContact O-SG 3.35Å; T240-C242 PolarHBondContact O-N 2.64Å
243	G	89.2	Confident	79.5	Confident	4 Å²	4	38.9 Å²	38.9	4%	0.041	22%	0.22	C	C	.	.			trans	92.9	178.6	-171.4	0	0	0	0	0	112.9	T216 W227 Y241 Y245	T216-G243 WeakPolarHBondContact OG1-CA 3.43Å; W227-G243 WeakPolarHBondContact CZ2-O 3.15Å; Y241-G243 PolarHBondContact O-N 3.24Å; Y241-G243 VanDerWaalsContact OH-C 3.26Å; G243-Y245 VanDerWaalsContact C-N 3.35Å
244	L	88.8	Confident	79	Confident	82 Å²	82	37.9 Å²	37.9	43%	0.429	21%	0.214	S	C	.	.	S	Bend	trans	-70.9	-32.9	179.6	-68.8	-176.3	0	0	0	112.9	Y208 Y241 S248	Y208-L244 HydrophobicContact CD1-CD1 3.32Å; Y208-L244 HydrophobicContact CD1-CG 3.99Å; Y208-L244 HydrophobicContact CD2-CD1 4.17Å; Y208-L244 HydrophobicContact CD2-CD2 4.46Å; Y208-L244 HydrophobicContact CD2-CG 3.89Å; Y208-L244 HydrophobicContact CE1-CD1 3.78Å; Y208-L244 HydrophobicContact CE1-CG 4.32Å; Y208-L244 HydrophobicContact CE2-CG 4.24Å; Y208-L244 HydrophobicContact CG-CD1 3.54Å; Y208-L244 HydrophobicContact CG-CD2 4.27Å; Y208-L244 HydrophobicContact CG-CG 3.75Å; Y241-L244 PolarHBondContact OH-N 2.98Å; L244-S248 PolarHBondContact N-OG 2.61Å
245	Y	88.8	Confident	78.3	Confident	131 Å²	131	33 Å²	33	51%	0.514	18%	0.18	S	C	.	.	S	Bend	trans	-164.4	163.8	-178.6	49	-96.7	0	0	0	107.7	N221 W227 G243 E247 S248	N221-Y245 PolarHBondContact ND2-O 3.25Å; W227-Y245 VanDerWaalsContact CH2-CA 3.41Å; W227-Y245 VanDerWaalsContact CZ2-C 3.41Å; G243-Y245 VanDerWaalsContact C-N 3.35Å; Y245-E247 PolarHBondContact O-N 2.98Å; Y245-S248 VanDerWaalsContact O-CB 3.25Å; Y245-S248 WeakPolarHBondContact O-CB 3.17Å; Y245-S248 PolarHBondContact O-N 2.99Å; Y245-S248 PolarHBondContact O-OG 3.08Å
246	P	86	Confident	77.8	Confident	48 Å²	48	30.1 Å²	30.1	31%	0.312	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	131	178.5	-10.7	19.5	0	0	0	111.2	N221 A223 W227 S248	N221-P246 CarbonylContact O-C 3.11Å; N221-P246 WeakPolarHBondContact O-CA 3.42Å; A223-P246 HydrophobicContact CB-CB 3.83Å; W227-P246 HydrophobicContact CB-CG 4.15Å; W227-P246 HydrophobicContact CD2-CB 4.29Å; W227-P246 HydrophobicContact CD2-CG 3.59Å; W227-P246 HydrophobicContact CE3-CG 3.94Å; W227-P246 HydrophobicContact CG-CB 4.08Å; W227-P246 HydrophobicContact CG-CG 3.68Å; P246-S248 VanDerWaalsContact C-N 3.33Å
247	E	87.2	Confident	78	Confident	12 Å²	12	31 Å²	31	6%	0.056	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	32	-171.4	-39.7	167.6	-164.5	0	0	114.2	N221 A223 Y245 E249 V252 K253 A256 R260	N221-E247 PolarHBondContact O-N 3.16Å; N221-E247 WeakPolarHBondContact OD1-CA 3.34Å; N221-E247 PolarHBondContact OD1-N 2.01Å; A223-E247 HydrophobicContact CB-CG 4.39Å; Y245-E247 PolarHBondContact O-N 2.98Å; E247-E249 PolarHBondContact O-N 2.86Å; E247-V252 HydrophobicContact CB-CG1 4.24Å; E247-V252 HydrophobicContact CG-CG1 4.12Å; E247-K253 HydrophobicContact CB-CD 3.6Å; E247-K253 VanDerWaalsContact OE2-CD 3.31Å; E247-K253 WeakPolarHBondContact OE2-CD 3.05Å; E247-K253 WeakPolarHBondContact OE2-CE 3.08Å; E247-K253 IonicContact OE2-NZ 3.1Å; E247-K253 PolarHBondContact OE2-NZ 3.08Å; E247-A256 HydrophobicContact CG-CB 4.45Å; E247-R260 IonicContact OE1-CZ 2.67Å; E247-R260 IonicContact OE1-NH1 3.99Å; E247-R260 PolarHBondContact OE1-NH1 2.82Å; E247-R260 IonicContact OE1-NH2 2.86Å; E247-R260 PolarHBondContact OE1-NH2 3.11Å; E247-R260 IonicContact OE2-CZ 2.67Å; E247-R260 IonicContact OE2-NH1 2.72Å; E247-R260 IonicContact OE2-NH2 2.6Å; E247-R260 PolarHBondContact OE2-NH2 3.1Å
248	S	86.4	Confident	78.9	Confident	11 Å²	11	28.4 Å²	28.4	8%	0.077	15%	0.147	C	C	.	.			trans	-62.3	-30	167.1	52.3	0	0	0	0	112.8	Y208 N221 L244 Y245 P246	Y208-S248 PolarHBondContact OH-O 3.12Å; N221-S248 PolarHBondContact ND2-OG 3.05Å; N221-S248 PolarHBondContact OD1-N 2.81Å; L244-S248 PolarHBondContact N-OG 2.61Å; Y245-S248 VanDerWaalsContact O-CB 3.25Å; Y245-S248 WeakPolarHBondContact O-CB 3.17Å; Y245-S248 PolarHBondContact O-N 2.99Å; Y245-S248 PolarHBondContact O-OG 3.08Å; P246-S248 VanDerWaalsContact C-N 3.33Å
249	E	75.9	Confident	79.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-83.6	129.8	-171.5	-49.2	-50.3	136.3	0	0	111	N204 S206 Y208 T216 L218 N221 E247 E251 V252 K253	N204-E249 PolarHBondContact ND2-OE2 2.92Å; S206-E249 WeakPolarHBondContact CB-OE2 3.44Å; S206-E249 PolarHBondContact OG-OE2 3.46Å; Y208-E249 WeakPolarHBondContact CE2-OE1 3.45Å; Y208-E249 VanDerWaalsContact OH-CD 3.27Å; Y208-E249 PolarHBondContact OH-OE1 3.18Å; Y208-E249 VanDerWaalsContact OH-OE1 3.07Å; Y208-E249 PolarHBondContact OH-OE2 2.95Å; T216-E249 VanDerWaalsContact CB-OE1 3.25Å; T216-E249 WeakPolarHBondContact CB-OE1 3.35Å; T216-E249 HydrophobicContact CG2-CG 3.44Å; T216-E249 VanDerWaalsContact CG2-CG 3.44Å; T216-E249 WeakPolarHBondContact CG2-OE1 3.4Å; T216-E249 PolarHBondContact OG1-OE1 2.82Å; T216-E249 PolarHBondContact OG1-OE2 3.15Å; L218-E249 HydrophobicContact CD2-CB 3.41Å; L218-E249 VanDerWaalsContact CD2-CB 3.41Å; L218-E249 HydrophobicContact CD2-CG 3.41Å; L218-E249 VanDerWaalsContact CD2-CG 3.41Å; N221-E249 HydrophobicContact CB-CG 4.14Å; N221-E249 WeakPolarHBondContact OD1-CG 3.17Å; N221-E249 PolarHBondContact OD1-N 3.34Å; E247-E249 PolarHBondContact O-N 2.86Å; E249-E251 PolarHBondContact O-N 2.87Å; E249-V252 HydrophobicContact CB-CB 4.23Å; E249-V252 PolarHBondContact O-N 3.16Å; E249-K253 VanDerWaalsContact O-CB 3.32Å; E249-K253 WeakPolarHBondContact O-CB 3.13Å; E249-K253 PolarHBondContact O-N 3.42Å
250	P	68.4	Low	81.4	Confident	44 Å²	44	28.2 Å²	28.2	29%	0.286	14%	0.139	S	C	.	.	H	α-helix	trans	-63.5	-28.5	-176	26.2	-33.7	0	0	0	112.4	F153 A254	F153-P250 HydrophobicContact CB-CG 4.25Å; P250-A254 VanDerWaalsContact O-CB 3.28Å; P250-A254 WeakPolarHBondContact O-CB 3.5Å; P250-A254 PolarHBondContact O-N 2.7Å
251	E	68.7	Low	82.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-48.5	175.3	-54.1	77.7	-169.2	0	0	112	V13 S152 F153 L158 N204 L218 E249 K253 A254 V255	V13-E251 HydrophobicContact CG1-CG 4.33Å; S152-E251 WeakPolarHBondContact CA-OE1 3.31Å; S152-E251 VanDerWaalsContact CB-OE1 3.24Å; S152-E251 WeakPolarHBondContact CB-OE1 2.89Å; F153-E251 PolarHBondContact N-OE1 3.4Å; L158-E251 HydrophobicContact CD1-CB 4.15Å; L158-E251 HydrophobicContact CD1-CG 4.06Å; L158-E251 HydrophobicContact CD2-CG 4.18Å; N204-E251 PolarHBondContact ND2-OE2 3.07Å; L218-E251 HydrophobicContact CD1-CB 3.68Å; L218-E251 HydrophobicContact CD1-CG 4.39Å; E249-E251 PolarHBondContact O-N 2.87Å; E251-K253 VanDerWaalsContact C-N 3.3Å; E251-K253 PolarHBondContact O-N 3.06Å; E251-A254 PolarHBondContact O-N 3.42Å; E251-V255 WeakPolarHBondContact O-CB 3.48Å; E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 2.82Å
252	V	67.7	Low	82.8	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-37.9	173.2	167	0	0	0	0	110.5	L218 N221 F222 E247 E249 A254 V255 A256	L218-V252 HydrophobicContact CB-CG2 3.4Å; L218-V252 HydrophobicContact CD1-CG2 4Å; L218-V252 HydrophobicContact CD2-CG2 3.66Å; L218-V252 HydrophobicContact CG-CG2 3.84Å; N221-V252 HydrophobicContact CB-CG2 4.34Å; F222-V252 HydrophobicContact CD1-CG1 3.87Å; F222-V252 HydrophobicContact CD2-CG1 4.46Å; F222-V252 HydrophobicContact CD2-CG2 4.41Å; F222-V252 HydrophobicContact CE1-CG1 3.98Å; F222-V252 HydrophobicContact CE2-CG2 4.01Å; F222-V252 HydrophobicContact CG-CG1 4.13Å; F222-V252 HydrophobicContact CZ-CG1 4.32Å; F222-V252 HydrophobicContact CZ-CG2 4.08Å; E247-V252 HydrophobicContact CB-CG1 4.24Å; E247-V252 HydrophobicContact CG-CG1 4.12Å; E249-V252 HydrophobicContact CB-CB 4.23Å; E249-V252 PolarHBondContact O-N 3.16Å; V252-A254 VanDerWaalsContact C-N 3.34Å; V252-A254 PolarHBondContact O-N 2.82Å; V252-V255 PolarHBondContact O-N 3.3Å; V252-A256 HydrophobicContact CG1-CB 4.46Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.3Å
253	K	78.8	Confident	83.1	Confident	93 Å²	93	39 Å²	39	40%	0.404	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-43.4	176.2	-160.1	64.6	165.5	-170	0	111.2	E247 E249 E251 S257	E247-K253 HydrophobicContact CB-CD 3.6Å; E247-K253 VanDerWaalsContact OE2-CD 3.31Å; E247-K253 WeakPolarHBondContact OE2-CD 3.05Å; E247-K253 WeakPolarHBondContact OE2-CE 3.08Å; E247-K253 IonicContact OE2-NZ 3.1Å; E247-K253 PolarHBondContact OE2-NZ 3.08Å; E249-K253 VanDerWaalsContact O-CB 3.32Å; E249-K253 WeakPolarHBondContact O-CB 3.13Å; E249-K253 PolarHBondContact O-N 3.42Å; E251-K253 VanDerWaalsContact C-N 3.3Å; E251-K253 PolarHBondContact O-N 3.06Å; K253-S257 WeakPolarHBondContact O-CB 3.41Å; K253-S257 PolarHBondContact O-N 3.15Å; K253-S257 PolarHBondContact O-OG 3.42Å
254	A	76.9	Confident	83.2	Confident	10 Å²	10	46 Å²	46	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-51.1	175.2	0	0	0	0	0	111.5	I149 L158 P250 E251 V252 F258	I149-A254 HydrophobicContact CD1-CB 4.11Å; I149-A254 HydrophobicContact CG1-CB 4.2Å; I149-A254 WeakPolarHBondContact O-CB 3.08Å; L158-A254 HydrophobicContact CD1-CB 3.83Å; P250-A254 VanDerWaalsContact O-CB 3.28Å; P250-A254 WeakPolarHBondContact O-CB 3.5Å; P250-A254 PolarHBondContact O-N 2.7Å; E251-A254 PolarHBondContact O-N 3.42Å; V252-A254 VanDerWaalsContact C-N 3.34Å; V252-A254 PolarHBondContact O-N 2.82Å; A254-F258 VanDerWaalsContact O-CB 3.26Å; A254-F258 WeakPolarHBondContact O-CB 3.38Å; A254-F258 PolarHBondContact O-N 3Å
255	V	75.8	Confident	83.3	Confident	3 Å²	3	45 Å²	45	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-56.3	179.8	167	0	0	0	0	111.7	I149 W175 F222 E251 V252 S257 F258 L259	I149-V255 HydrophobicContact CD1-CG2 3.97Å; W175-V255 HydrophobicContact CH2-CG1 4.3Å; W175-V255 HydrophobicContact CH2-CG2 4.38Å; W175-V255 HydrophobicContact CZ2-CB 4.36Å; W175-V255 HydrophobicContact CZ2-CG1 3.59Å; W175-V255 HydrophobicContact CZ2-CG2 4.09Å; F222-V255 HydrophobicContact CE1-CG1 4.09Å; F222-V255 HydrophobicContact CZ-CG1 4.1Å; E251-V255 WeakPolarHBondContact O-CB 3.48Å; E251-V255 WeakPolarHBondContact O-CG2 3.47Å; E251-V255 PolarHBondContact O-N 2.82Å; V252-V255 PolarHBondContact O-N 3.3Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.3Å; V255-F258 PolarHBondContact O-N 2.99Å; V255-F258 VanDerWaalsContact O-N 3.09Å; V255-L259 HydrophobicContact CG1-CD1 3.54Å; V255-L259 HydrophobicContact CG1-CG 4.26Å; V255-L259 WeakPolarHBondContact O-CB 3.44Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å
256	A	76.5	Confident	83.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-32.8	-178.8	0	0	0	0	0	112.8	F222 E247 V252 R260 W335	F222-A256 HydrophobicContact CD1-CB 4.21Å; F222-A256 HydrophobicContact CE1-CB 4.2Å; E247-A256 HydrophobicContact CG-CB 4.45Å; V252-A256 HydrophobicContact CG1-CB 4.46Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.3Å; A256-R260 WeakPolarHBondContact O-CB 3.41Å; A256-R260 WeakPolarHBondContact O-CG 3Å; A256-R260 PolarHBondContact O-N 2.54Å; A256-R260 PolarHBondContact O-NE 3.04Å; A256-W335 HydrophobicContact CB-CH2 3.56Å; A256-W335 HydrophobicContact CB-CZ2 3.78Å; A256-W335 HydrophobicContact CB-CZ3 4.21Å
257	S	84.9	Confident	84	Confident	28 Å²	28	38.8 Å²	38.8	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-74.5	-36.7	173.2	-56.1	0	0	0	0	112.2	K253 V255 R261	K253-S257 WeakPolarHBondContact O-CB 3.41Å; K253-S257 PolarHBondContact O-N 3.15Å; K253-S257 PolarHBondContact O-OG 3.42Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.3Å; S257-R261 WeakPolarHBondContact O-CB 3.1Å; S257-R261 VanDerWaalsContact O-CG 3.27Å; S257-R261 WeakPolarHBondContact O-CG 3.39Å; S257-R261 PolarHBondContact O-N 3.02Å
258	F	88.3	Confident	84.4	Confident	13 Å²	13	38.2 Å²	38.2	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-46.1	172.9	179.9	-87.4	0	0	0	111.5	L9 I147 I149 V160 W175 A254 V255 R261 N262	L9-F258 HydrophobicContact CD1-CE1 4.03Å; L9-F258 HydrophobicContact CD1-CZ 4.2Å; L9-F258 HydrophobicContact CD2-CE1 4.42Å; L9-F258 HydrophobicContact CD2-CZ 4.05Å; I147-F258 HydrophobicContact CD1-CE2 4.46Å; I147-F258 HydrophobicContact CG2-CE2 4.18Å; I149-F258 HydrophobicContact CG2-CB 4.33Å; I149-F258 HydrophobicContact CG2-CD2 3.53Å; I149-F258 HydrophobicContact CG2-CE2 4.08Å; I149-F258 HydrophobicContact CG2-CG 4Å; V160-F258 HydrophobicContact CG1-CZ 4.41Å; W175-F258 HydrophobicContact CE3-CD1 4.11Å; W175-F258 AromaticContact CE3-CE1 3.98Å; W175-F258 HydrophobicContact CE3-CE1 3.98Å; W175-F258 AromaticContact CH2-CD1 3.96Å; W175-F258 HydrophobicContact CH2-CD1 3.96Å; W175-F258 HydrophobicContact CH2-CE1 4.45Å; W175-F258 AromaticContact CZ3-CD1 3.36Å; W175-F258 HydrophobicContact CZ3-CD1 3.36Å; W175-F258 AromaticContact CZ3-CE1 3.45Å; W175-F258 HydrophobicContact CZ3-CE1 3.45Å; W175-F258 VanDerWaalsContact CZ3-CE1 3.45Å; W175-F258 HydrophobicContact CZ3-CG 4.44Å; A254-F258 VanDerWaalsContact O-CB 3.26Å; A254-F258 WeakPolarHBondContact O-CB 3.38Å; A254-F258 PolarHBondContact O-N 3Å; V255-F258 PolarHBondContact O-N 2.99Å; V255-F258 VanDerWaalsContact O-N 3.09Å; F258-R261 PolarHBondContact O-N 3.48Å; F258-N262 WeakPolarHBondContact CZ-ND2 2.97Å; F258-N262 PolarHBondContact O-N 2.88Å; F258-N262 PolarHBondContact O-ND2 2.89Å
259	L	87.8	Confident	84.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-49.8	176.9	-72.2	170.1	0	0	0	111	W175 V255 R261 N262 I263 I266 Y269 W335 I336	W175-L259 HydrophobicContact CB-CD2 3.99Å; W175-L259 HydrophobicContact CD2-CD2 3.48Å; W175-L259 VanDerWaalsContact CD2-CD2 3.48Å; W175-L259 HydrophobicContact CD2-CG 4.34Å; W175-L259 HydrophobicContact CE3-CD2 3.78Å; W175-L259 HydrophobicContact CG-CD2 3.62Å; W175-L259 HydrophobicContact CZ2-CD1 4.4Å; W175-L259 HydrophobicContact CZ2-CD2 4.38Å; W175-L259 HydrophobicContact CZ2-CG 4.38Å; W175-L259 HydrophobicContact CZ3-CD2 4.37Å; V255-L259 HydrophobicContact CG1-CD1 3.54Å; V255-L259 HydrophobicContact CG1-CG 4.26Å; V255-L259 WeakPolarHBondContact O-CB 3.44Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å; L259-R261 PolarHBondContact O-N 2.72Å; L259-N262 CarbonylContact O-C 3.55Å; L259-N262 PolarHBondContact O-N 2.61Å; L259-N262 VanDerWaalsContact O-N 3.08Å; L259-I263 WeakPolarHBondContact O-CA 3.35Å; L259-I263 WeakPolarHBondContact O-CB 3.32Å; L259-I263 PolarHBondContact O-N 2.86Å; L259-I266 HydrophobicContact CD2-CD1 3.54Å; L259-Y269 HydrophobicContact CD1-CE2 4.19Å; L259-W335 HydrophobicContact CB-CH2 4.14Å; L259-W335 HydrophobicContact CB-CZ3 4.26Å; L259-W335 HydrophobicContact CD1-CH2 4.35Å; L259-W335 HydrophobicContact CD1-CZ3 3.72Å; L259-I336 HydrophobicContact CD1-CD1 4.22Å; L259-I336 HydrophobicContact CD2-CD1 4.04Å
260	R	91.4	Very high	85.9	Confident	93 Å²	93	37.7 Å²	37.7	35%	0.351	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-38.8	176.3	-77.2	175.8	-66.3	-154.9	-0.4	113.8	E247 A256 N262 I263 W335 L339	E247-R260 IonicContact OE1-CZ 2.67Å; E247-R260 IonicContact OE1-NH1 3.99Å; E247-R260 PolarHBondContact OE1-NH1 2.82Å; E247-R260 IonicContact OE1-NH2 2.86Å; E247-R260 PolarHBondContact OE1-NH2 3.11Å; E247-R260 IonicContact OE2-CZ 2.67Å; E247-R260 IonicContact OE2-NH1 2.72Å; E247-R260 IonicContact OE2-NH2 2.6Å; E247-R260 PolarHBondContact OE2-NH2 3.1Å; A256-R260 WeakPolarHBondContact O-CB 3.41Å; A256-R260 WeakPolarHBondContact O-CG 3Å; A256-R260 PolarHBondContact O-N 2.54Å; A256-R260 PolarHBondContact O-NE 3.04Å; R260-N262 PolarHBondContact O-N 2.68Å; R260-I263 WeakPolarHBondContact O-CG2 3.22Å; R260-I263 PolarHBondContact O-N 3.33Å; R260-W335 HydrophobicContact CG-CH2 4.35Å; R260-W335 HydrophobicContact CG-CZ2 4.21Å; R260-L339 HydrophobicContact CG-CD1 4.2Å
261	R	92.9	Very high	87.1	Confident	161 Å²	161	35.6 Å²	35.6	61%	0.608	17%	0.165	S	C	*	.	H	α-helix	trans	-61.5	-25.6	174	-77.1	-175.5	-58.8	-105.5	5.5	113.4	S257 F258 L259	S257-R261 WeakPolarHBondContact O-CB 3.1Å; S257-R261 VanDerWaalsContact O-CG 3.27Å; S257-R261 WeakPolarHBondContact O-CG 3.39Å; S257-R261 PolarHBondContact O-N 3.02Å; F258-R261 PolarHBondContact O-N 3.48Å; L259-R261 PolarHBondContact O-N 2.72Å
262	N	91.4	Very high	88.3	Confident	43 Å²	43	35.5 Å²	35.5	23%	0.23	17%	0.165	C	C	.	.	H	α-helix	trans	-115.5	9.1	-175.8	-63.2	-83.6	0	0	0	113.4	F258 L259 R260 N264 Q265 I266	F258-N262 WeakPolarHBondContact CZ-ND2 2.97Å; F258-N262 PolarHBondContact O-N 2.88Å; F258-N262 PolarHBondContact O-ND2 2.89Å; L259-N262 CarbonylContact O-C 3.55Å; L259-N262 PolarHBondContact O-N 2.61Å; L259-N262 VanDerWaalsContact O-N 3.08Å; R260-N262 PolarHBondContact O-N 2.68Å; N262-N264 VanDerWaalsContact C-N 3.27Å; N262-N264 PolarHBondContact O-N 2.95Å; N262-N264 VanDerWaalsContact O-N 3.16Å; N262-Q265 WeakPolarHBondContact O-CA 3.44Å; N262-Q265 WeakPolarHBondContact O-CB 3.37Å; N262-Q265 PolarHBondContact O-N 2.89Å; N262-I266 HydrophobicContact CB-CD1 3.99Å; N262-I266 HydrophobicContact CB-CG1 4.37Å; N262-I266 PolarHBondContact O-N 2.04Å; N262-I266 VanDerWaalsContact O-N 3.08Å
263	I	93.2	Very high	89.6	Confident	39 Å²	39	35.6 Å²	35.6	20%	0.2	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.2	-166.8	-162.7	167.6	0	0	0	113.3	L259 R260 Q265 I266 L339 I341	L259-I263 WeakPolarHBondContact O-CA 3.35Å; L259-I263 WeakPolarHBondContact O-CB 3.32Å; L259-I263 PolarHBondContact O-N 2.86Å; R260-I263 WeakPolarHBondContact O-CG2 3.22Å; R260-I263 PolarHBondContact O-N 3.33Å; I263-Q265 PolarHBondContact O-N 3.29Å; I263-I266 PolarHBondContact O-N 3.04Å; I263-L339 HydrophobicContact CD1-CB 3.75Å; I263-L339 HydrophobicContact CD1-CD1 4.27Å; I263-I341 HydrophobicContact CD1-CG1 4.49Å; I263-I341 HydrophobicContact CG1-CD1 3.91Å; I263-I341 HydrophobicContact CG1-CG1 4.15Å
264	N	92.1	Very high	90.2	Very high	149 Å²	149	31.3 Å²	31.3	80%	0.797	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	174.9	-68.8	-11.7	0	0	0	112.9	N262 K267	N262-N264 VanDerWaalsContact C-N 3.27Å; N262-N264 PolarHBondContact O-N 2.95Å; N262-N264 VanDerWaalsContact O-N 3.16Å; N264-K267 PolarHBondContact O-NZ 3.39Å
265	Q	91.1	Very high	91.1	Very high	63 Å²	63	31.5 Å²	31.5	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-35.1	176.6	-166.1	-178	9.1	0	0	112.1	K171 N172 A173 N262 I263	K171-Q265 WeakPolarHBondContact O-CG 2.99Å; K171-Q265 PolarHBondContact O-NE2 3.05Å; N172-Q265 CarbonylContact C-O 3.54Å; N172-Q265 WeakPolarHBondContact CA-O 2.84Å; A173-Q265 HydrophobicContact CB-CG 3.96Å; A173-Q265 PolarHBondContact N-O 3.28Å; N262-Q265 WeakPolarHBondContact O-CA 3.44Å; N262-Q265 WeakPolarHBondContact O-CB 3.37Å; N262-Q265 PolarHBondContact O-N 2.89Å; I263-Q265 PolarHBondContact O-N 3.29Å
266	I	92.9	Very high	92	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.8	-178.2	-64	165.5	0	0	0	110.2	A173 L259 N262 I263 I341	A173-I266 HydrophobicContact CB-CG1 4.38Å; A173-I266 CarbonylContact O-C 3.51Å; A173-I266 WeakPolarHBondContact O-CA 3.19Å; L259-I266 HydrophobicContact CD2-CD1 3.54Å; N262-I266 HydrophobicContact CB-CD1 3.99Å; N262-I266 HydrophobicContact CB-CG1 4.37Å; N262-I266 PolarHBondContact O-N 2.04Å; N262-I266 VanDerWaalsContact O-N 3.08Å; I263-I266 PolarHBondContact O-N 3.04Å; I266-I341 HydrophobicContact CB-CD1 4.29Å; I266-I341 HydrophobicContact CG2-CD1 4.08Å; I266-I341 HydrophobicContact CG2-CG1 4.26Å; I266-I341 HydrophobicContact CG2-CG2 4.22Å; I266-I341 WeakPolarHBondContact O-CD1 3.38Å
267	K	95.4	Very high	93	Very high	47 Å²	47	33.8 Å²	33.8	20%	0.204	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	-16.6	-180	-61.3	-63.3	158	-113.1	0	114.6	N172 A173 N264 V382 V386	N172-K267 HydrophobicContact CB-CG 3.72Å; N172-K267 VanDerWaalsContact OD1-CE 3.25Å; N172-K267 WeakPolarHBondContact OD1-CE 3.4Å; A173-K267 PolarHBondContact O-N 2.83Å; N264-K267 PolarHBondContact O-NZ 3.39Å; K267-V382 HydrophobicContact CB-CG1 3.85Å; K267-V386 HydrophobicContact CB-CB 4.28Å; K267-V386 HydrophobicContact CB-CG1 4.18Å; K267-V386 HydrophobicContact CB-CG2 4.05Å; K267-V386 HydrophobicContact CD-CB 4.03Å; K267-V386 HydrophobicContact CD-CG1 4.39Å; K267-V386 HydrophobicContact CD-CG2 4.42Å; K267-V386 HydrophobicContact CG-CB 4.06Å; K267-V386 HydrophobicContact CG-CG1 4.45Å; K267-V386 HydrophobicContact CG-CG2 3.91Å
268	A	95.4	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.3	167.4	0	0	0	0	0	111.1	I174 W175 Y343 V382	I174-A268 HydrophobicContact CD1-CB 4.42Å; I174-A268 HydrophobicContact CG1-CB 4.04Å; I174-A268 HydrophobicContact CG2-CB 4.17Å; W175-A268 PolarHBondContact N-O 3.27Å; A268-Y343 CarbonylContact C-O 3.55Å; A268-Y343 WeakPolarHBondContact CA-O 3.38Å; A268-Y343 VanDerWaalsContact CB-O 3.3Å; A268-Y343 WeakPolarHBondContact CB-O 3.38Å; A268-V382 HydrophobicContact CB-CG1 4.39Å; A268-V382 HydrophobicContact CB-CG2 3.62Å
269	Y	97.1	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131	174.8	176.9	-95.3	0	0	0	107.7	W175 D177 L259 S271 D333 I336 Y343 S344 F345	W175-Y269 HydrophobicContact CB-CD2 4.34Å; W175-Y269 AromaticContact CD1-CD2 3.24Å; W175-Y269 AromaticContact CD1-CE2 3.29Å; W175-Y269 HydrophobicContact CG-CD2 4.04Å; W175-Y269 HydrophobicContact CG-CE2 4.36Å; W175-Y269 AromaticContact NE1-CD2 3.88Å; W175-Y269 AromaticContact NE1-CE2 3.44Å; D177-Y269 WeakPolarHBondContact OD2-CE2 3.26Å; D177-Y269 PolarHBondContact OD2-OH 3.23Å; L259-Y269 HydrophobicContact CD1-CE2 4.19Å; Y269-S271 VanDerWaalsContact CE1-CB 3.47Å; Y269-S271 WeakPolarHBondContact OH-CB 3.49Å; Y269-D333 HydrophobicContact CD1-CB 4.22Å; Y269-D333 VanDerWaalsContact CE1-CA 3.47Å; Y269-D333 HydrophobicContact CE1-CB 3.93Å; Y269-I336 HydrophobicContact CD1-CG2 3.76Å; Y269-I336 HydrophobicContact CD2-CD1 3.81Å; Y269-I336 HydrophobicContact CD2-CG2 3.97Å; Y269-I336 HydrophobicContact CE1-CG2 4.42Å; Y269-I336 HydrophobicContact CG-CD1 4.22Å; Y269-I336 HydrophobicContact CG-CG2 3.5Å; Y269-Y343 PolarHBondContact N-O 2.75Å; Y269-S344 WeakPolarHBondContact O-CA 3.38Å; Y269-F345 PolarHBondContact O-N 3.27Å
270	I	97	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106.3	174.1	-27.5	-178	0	0	0	106.6	I174 W175 I176 D177 M272 F345 I347 V375 I378	I174-I270 HydrophobicContact CG2-CD1 4.16Å; I174-I270 HydrophobicContact CG2-CG1 4.17Å; W175-I270 PolarHBondContact O-N 3.29Å; I176-I270 WeakPolarHBondContact CA-O 3.44Å; I176-I270 HydrophobicContact CD1-CD1 4.23Å; I176-I270 HydrophobicContact CG1-CD1 4.16Å; I176-I270 HydrophobicContact CG1-CG1 4.23Å; I176-I270 HydrophobicContact CG2-CB 4.17Å; D177-I270 PolarHBondContact N-O 3.23Å; I270-M272 HydrophobicContact CB-CE 3.89Å; I270-M272 HydrophobicContact CB-CG 4.34Å; I270-M272 HydrophobicContact CB-SD 4.08Å; I270-M272 HydrophobicContact CG2-CE 3.4Å; I270-M272 HydrophobicContact CG2-CG 4.19Å; I270-M272 HydrophobicContact CG2-SD 3.35Å; I270-M272 WeakPolarHBondContact CG2-SD 3.26Å; I270-M272 VanDerWaalsContact O-CG 3.27Å; I270-M272 WeakPolarHBondContact O-CG 3.33Å; I270-F345 CarbonylContact C-O 3.4Å; I270-F345 WeakPolarHBondContact CA-O 3.19Å; I270-F345 HydrophobicContact CG2-CB 4.02Å; I270-I347 HydrophobicContact CG2-CD1 4.35Å; I270-V375 HydrophobicContact CD1-CG1 4.27Å; I270-V375 HydrophobicContact CD1-CG2 4.33Å; I270-I378 HydrophobicContact CD1-CD1 4.44Å; I270-I378 HydrophobicContact CD1-CG2 4.2Å
271	S	94	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	162.1	163.5	-157.2	0	0	0	0	110.9	D177 Y269 H273 F345 T346 I347	D177-S271 VanDerWaalsContact OD1-CA 3.3Å; D177-S271 WeakPolarHBondContact OD1-CA 3.49Å; D177-S271 WeakPolarHBondContact OD1-CB 3.29Å; D177-S271 PolarHBondContact OD1-OG 3.34Å; Y269-S271 VanDerWaalsContact CE1-CB 3.47Å; Y269-S271 WeakPolarHBondContact OH-CB 3.49Å; S271-H273 PolarHBondContact OG-CE1 3.32Å; S271-F345 PolarHBondContact N-O 3Å; S271-T346 CarbonylContact O-C 3.38Å; S271-T346 WeakPolarHBondContact O-CA 3.45Å; S271-I347 PolarHBondContact O-N 2.98Å
272	M	93.9	Very high	94.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)		-169	126.8	-130	-70.8	-58.1	-132	0	0	109.9	I176 R199 M200 W201 I270 I347 V375	I176-M272 HydrophobicContact CG2-CE 3.77Å; I176-M272 HydrophobicContact CG2-CG 4.06Å; R199-M272 HydrophobicContact CB-CB 4.35Å; R199-M272 HydrophobicContact CB-CE 3.75Å; R199-M272 HydrophobicContact CB-CG 4.22Å; R199-M272 HydrophobicContact CB-SD 4.27Å; R199-M272 HydrophobicContact CG-CB 3.47Å; R199-M272 VanDerWaalsContact CG-CB 3.47Å; R199-M272 HydrophobicContact CG-CE 3.69Å; R199-M272 HydrophobicContact CG-CG 3.63Å; R199-M272 HydrophobicContact CG-SD 3.57Å; R199-M272 VanDerWaalsContact CG-SD 3.57Å; R199-M272 PolarHBondContact NH1-SD 2.86Å; M200-M272 CarbonylContact C-O 3.54Å; M200-M272 WeakPolarHBondContact CA-O 3.44Å; M200-M272 VanDerWaalsContact O-O 3.12Å; W201-M272 CarbonylContact C-O 3.57Å; W201-M272 WeakPolarHBondContact CA-O 3.4Å; W201-M272 PolarHBondContact N-O 2.7Å; I270-M272 HydrophobicContact CB-CE 3.89Å; I270-M272 HydrophobicContact CB-CG 4.34Å; I270-M272 HydrophobicContact CB-SD 4.08Å; I270-M272 HydrophobicContact CG2-CE 3.4Å; I270-M272 HydrophobicContact CG2-CG 4.19Å; I270-M272 HydrophobicContact CG2-SD 3.35Å; I270-M272 WeakPolarHBondContact CG2-SD 3.26Å; I270-M272 VanDerWaalsContact O-CG 3.27Å; I270-M272 WeakPolarHBondContact O-CG 3.33Å; M272-I347 HydrophobicContact CE-CD1 4.29Å; M272-I347 HydrophobicContact SD-CB 3.84Å; M272-I347 HydrophobicContact SD-CD1 4.16Å; M272-I347 HydrophobicContact SD-CG1 4.22Å; M272-V375 HydrophobicContact CE-CG2 3.43Å; M272-V375 VanDerWaalsContact CE-CG2 3.43Å
273	H	94.9	Very high	94.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.099	C	C	.	.			trans	-149.2	-150.9	-168.4	-47	-57.1	0	0	0	114.6	E184 R199 M200 R202 S271 T346 I347 E348	E184-H273 WeakPolarHBondContact OE2-CA 3.02Å; E184-H273 WeakPolarHBondContact OE2-CB 3.04Å; R199-H273 VanDerWaalsContact CZ-O 3.23Å; R199-H273 PolarHBondContact NE-O 3.11Å; R199-H273 PolarHBondContact NH2-O 3.06Å; M200-H273 VanDerWaalsContact SD-O 3.32Å; R202-H273 VanDerWaalsContact CB-CE1 3.46Å; R202-H273 WeakPolarHBondContact CB-CE1 2.91Å; R202-H273 VanDerWaalsContact CB-ND1 3.29Å; R202-H273 WeakPolarHBondContact CB-ND1 3.38Å; R202-H273 PolarHBondContact N-ND1 3.38Å; S271-H273 PolarHBondContact OG-CE1 3.32Å; H273-T346 VanDerWaalsContact CD2-CG2 3.49Å; H273-T346 WeakPolarHBondContact CD2-CG2 3.21Å; H273-I347 PolarHBondContact N-O 2.82Å; H273-E348 WeakPolarHBondContact CB-OE2 3.4Å; H273-E348 IonicContact CD2-OE1 3.64Å; H273-E348 IonicContact CG-OE1 2.7Å
274	S	92.4	Very high	94.3	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.028	9%	0.092	C	C	.	.			trans	-162.7	162.4	150	69.7	0	0	0	0	108.4	E184 I186 E348 F357	E184-S274 VanDerWaalsContact CD-O 3.26Å; E184-S274 VanDerWaalsContact CG-O 3.31Å; E184-S274 WeakPolarHBondContact CG-O 3.02Å; E184-S274 VanDerWaalsContact CG-OG 3.3Å; E184-S274 WeakPolarHBondContact CG-OG 3.27Å; E184-S274 VanDerWaalsContact OE1-O 3.09Å; E184-S274 PolarHBondContact OE2-N 2.87Å; I186-S274 VanDerWaalsContact CG2-OG 3.26Å; I186-S274 WeakPolarHBondContact CG2-OG 3.46Å; S274-E348 WeakPolarHBondContact CA-OE2 3.39Å; S274-E348 PolarHBondContact N-OE2 2.95Å; S274-F357 WeakPolarHBondContact O-CE1 3.44Å
275	Y	95.3	Very high	93.9	Very high	14 Å²	14	12.8 Å²	12.8	6%	0.055	6%	0.06	C	C	.	.	S	Bend	cis	-129.9	159.8	3.8	65.7	-90.5	0	0	0	109.8	W54 Q55 H69 L349 F357	W54-Y275 HydrophobicContact CB-CE1 4.43Å; W54-Y275 HydrophobicContact CE3-CE1 4.07Å; Q55-Y275 WeakPolarHBondContact CB-OH 3.38Å; H69-Y275 AromaticContact ND1-CE2 3.89Å; H69-Y275 AromaticContact ND1-CZ 3.9Å; H69-Y275 PolarHBondContact ND1-OH 2.93Å; Y275-L349 CarbonylContact C-O 3.57Å; Y275-L349 WeakPolarHBondContact CA-O 3.5Å; Y275-F357 AromaticContact CD1-CD1 3.98Å; Y275-F357 HydrophobicContact CD1-CD1 3.98Å; Y275-F357 HydrophobicContact CD1-CD2 4.49Å; Y275-F357 AromaticContact CD1-CE1 3.89Å; Y275-F357 HydrophobicContact CD1-CE1 3.89Å; Y275-F357 HydrophobicContact CD1-CE2 4.39Å; Y275-F357 HydrophobicContact CD1-CG 4.27Å; Y275-F357 HydrophobicContact CD1-CZ 4.08Å; Y275-F357 HydrophobicContact CE1-CD1 4.38Å; Y275-F357 HydrophobicContact CE1-CD2 4.11Å; Y275-F357 HydrophobicContact CE1-CE1 4.18Å; Y275-F357 AromaticContact CE1-CE2 3.88Å; Y275-F357 HydrophobicContact CE1-CE2 3.88Å; Y275-F357 HydrophobicContact CE1-CG 4.33Å; Y275-F357 AromaticContact CE1-CZ 3.9Å; Y275-F357 HydrophobicContact CE1-CZ 3.9Å
276	S	94.2	Very high	93.6	Very high	27 Å²	27	11.3 Å²	11.3	19%	0.189	6%	0.056	C	C	.	.	S	Bend	trans	166.3	-11.4	165.2	44.8	0	0	0	0	112.7	E348 L349 D351	S276-E348 VanDerWaalsContact OG-CB 3.26Å; S276-E348 WeakPolarHBondContact OG-CB 3.39Å; S276-L349 PolarHBondContact N-O 3.19Å; S276-D351 WeakPolarHBondContact CA-O 3.11Å; S276-D351 PolarHBondContact N-O 3.17Å; S276-D351 VanDerWaalsContact N-O 3.16Å
277	Q	97.4	Very high	93.3	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.112	8%	0.083	C	C	.	.	S	Bend	trans	58.3	70.4	-167.8	-59	176.4	-178.5	0	0	111.6	R315 Y316 T317 E348 L349 R350 T352	Q277-R315 WeakPolarHBondContact CB-O 3.32Å; Q277-R315 PolarHBondContact NE2-O 2.74Å; Q277-Y316 HydrophobicContact CB-CD1 4.04Å; Q277-Y316 HydrophobicContact CB-CD2 3.73Å; Q277-Y316 HydrophobicContact CB-CE1 4.21Å; Q277-Y316 HydrophobicContact CB-CE2 3.92Å; Q277-Y316 HydrophobicContact CB-CG 3.81Å; Q277-Y316 HydrophobicContact CG-CD2 4.09Å; Q277-Y316 HydrophobicContact CG-CE1 4.43Å; Q277-Y316 HydrophobicContact CG-CE2 3.77Å; Q277-Y316 CarbonylContact O-C 3.53Å; Q277-Y316 WeakPolarHBondContact O-CA 3.23Å; Q277-T317 PolarHBondContact O-N 2.69Å; Q277-T317 PolarHBondContact O-OG1 3.45Å; Q277-E348 CarbonylContact C-O 3.57Å; Q277-E348 VanDerWaalsContact CA-O 3.29Å; Q277-E348 WeakPolarHBondContact CA-O 3.38Å; Q277-L349 PolarHBondContact N-O 2.9Å; Q277-R350 HydrophobicContact CG-CG 4.29Å; Q277-T352 HydrophobicContact CB-CG2 4.47Å; Q277-T352 HydrophobicContact CG-CG2 4.27Å
278	H	95.5	Very high	93	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.06	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.6	-178.3	-151.3	71.3	0	0	0	113.2	T317 H318 T324 I347 E348	H278-T317 CarbonylContact C-O 3.53Å; H278-T317 VanDerWaalsContact CA-O 3.26Å; H278-T317 WeakPolarHBondContact CA-O 3.27Å; H278-T317 VanDerWaalsContact CE1-C 3.46Å; H278-T317 VanDerWaalsContact CE1-CA 3.49Å; H278-T317 WeakPolarHBondContact CE1-CA 3.42Å; H278-T317 WeakPolarHBondContact CE1-CB 3.34Å; H278-T317 PolarHBondContact CE1-OG1 3.43Å; H278-T317 WeakPolarHBondContact ND1-CB 3.21Å; H278-T317 PolarHBondContact ND1-O 3.05Å; H278-T317 PolarHBondContact ND1-OG1 3.47Å; H278-T317 VanDerWaalsContact NE2-C 3.34Å; H278-T317 WeakPolarHBondContact NE2-CB 3.35Å; H278-T317 PolarHBondContact NE2-OG1 3.32Å; H278-H318 VanDerWaalsContact NE2-C 3.31Å; H278-H318 WeakPolarHBondContact NE2-CA 3.41Å; H278-H318 PolarHBondContact NE2-N 3.31Å; H278-H318 PolarHBondContact NE2-O 3.34Å; H278-T324 WeakPolarHBondContact NE2-CG2 3.14Å; H278-I347 CarbonylContact O-C 3.53Å; H278-E348 HydrophobicContact CB-CB 3.79Å; H278-E348 HydrophobicContact CB-CG 4.31Å; H278-E348 PolarHBondContact N-O 3.34Å; H278-E348 PolarHBondContact O-N 3.46Å; H278-E348 VanDerWaalsContact O-O 3.11Å
279	I	97.1	Very high	92.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	102.6	165.3	-54.8	-167.4	0	0	0	109	A300 A303 V304 I307 T317 H318 G319 F345 I347	I279-A300 HydrophobicContact CB-CB 4.31Å; I279-A300 HydrophobicContact CG2-CB 3.76Å; I279-A303 HydrophobicContact CD1-CB 3.69Å; I279-V304 HydrophobicContact CB-CG1 4.42Å; I279-V304 HydrophobicContact CD1-CG1 3.55Å; I279-V304 HydrophobicContact CG1-CG1 3.79Å; I279-I307 HydrophobicContact CD1-CD1 4.48Å; I279-T317 PolarHBondContact N-O 3.1Å; I279-H318 HydrophobicContact CB-CB 3.98Å; I279-H318 WeakPolarHBondContact O-CA 3.36Å; I279-H318 VanDerWaalsContact O-CB 3.31Å; I279-H318 WeakPolarHBondContact O-CB 3.4Å; I279-G319 PolarHBondContact O-N 2.79Å; I279-G319 VanDerWaalsContact O-N 3.12Å; I279-F345 HydrophobicContact CG2-CD1 4.26Å; I279-I347 HydrophobicContact CB-CG1 4.32Å; I279-I347 HydrophobicContact CD1-CD1 4.16Å; I279-I347 HydrophobicContact CD1-CG1 4.04Å; I279-I347 HydrophobicContact CG1-CB 4.45Å; I279-I347 HydrophobicContact CG1-CG1 3.89Å; I279-I347 HydrophobicContact CG1-CG2 4.26Å; I279-I347 HydrophobicContact CG2-CG1 3.89Å
280	V	94.7	Very high	92.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	150.4	172	176.2	0	0	0	0	110.3	G319 G321 L325 T346	V280-G319 WeakPolarHBondContact CA-O 3.08Å; V280-G321 VanDerWaalsContact CG1-CA 3.41Å; V280-L325 HydrophobicContact CG2-CD1 3.65Å; V280-L325 HydrophobicContact CG2-CG 4.13Å; V280-T346 WeakPolarHBondContact CA-O 3.29Å; V280-T346 HydrophobicContact CB-CG2 4.05Å; V280-T346 VanDerWaalsContact CB-O 3.26Å; V280-T346 WeakPolarHBondContact CB-O 3.01Å; V280-T346 HydrophobicContact CG2-CG2 4.42Å; V280-T346 PolarHBondContact N-O 3.24Å; V280-T346 PolarHBondContact O-N 3.07Å
281	F	96.4	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.2	162.6	50.3	-89.2	0	0	0	109.7	H293 L296 A300 G319 H320 G321 F345	F281-H293 AromaticContact CE2-CE1 3.92Å; F281-H293 AromaticContact CE2-ND1 3.71Å; F281-L296 HydrophobicContact CB-CB 4.03Å; F281-L296 HydrophobicContact CB-CD1 4.31Å; F281-L296 HydrophobicContact CD1-CB 4.41Å; F281-L296 HydrophobicContact CD2-CB 3.48Å; F281-L296 VanDerWaalsContact CD2-CB 3.48Å; F281-L296 HydrophobicContact CD2-CD1 4.16Å; F281-L296 HydrophobicContact CD2-CG 4.47Å; F281-L296 HydrophobicContact CE2-CB 4Å; F281-L296 HydrophobicContact CG-CB 3.72Å; F281-A300 HydrophobicContact CD1-CB 4.02Å; F281-A300 HydrophobicContact CE1-CB 4.03Å; F281-G319 WeakPolarHBondContact CD1-O 3.47Å; F281-G319 VanDerWaalsContact CE1-C 3.47Å; F281-G319 WeakPolarHBondContact CE1-O 3.37Å; F281-G319 PolarHBondContact N-O 2.81Å; F281-H320 HydrophobicContact CE2-CB 4.27Å; F281-H320 WeakPolarHBondContact O-CA 3.28Å; F281-G321 PolarHBondContact O-N 3Å; F281-F345 HydrophobicContact CB-CD1 3.88Å; F281-F345 HydrophobicContact CB-CE1 4.06Å
282	P	94.9	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-54.2	144.2	-177.4	-33	38.8	0	0	0	114.8	S290 D334 Y337 S344	P282-S290 VanDerWaalsContact O-CB 3.29Å; P282-S290 WeakPolarHBondContact O-CB 3.36Å; P282-S290 PolarHBondContact O-OG 3.31Å; P282-D334 WeakPolarHBondContact CA-OD1 3.42Å; P282-D334 VanDerWaalsContact CB-OD1 3.27Å; P282-D334 WeakPolarHBondContact CB-OD1 3.47Å; P282-Y337 HydrophobicContact CB-CD1 3.97Å; P282-Y337 HydrophobicContact CB-CG 4.04Å; P282-Y337 HydrophobicContact CG-CD1 4.43Å; P282-Y337 HydrophobicContact CG-CG 4Å; P282-S344 WeakPolarHBondContact CD-O 3.33Å
283	Y	91.6	Very high	92.9	Very high	33 Å²	33	36.9 Å²	36.9	13%	0.129	17%	0.174	C	C	.	.			cis	-97.8	144	5.4	-69.6	-63.1	0	0	0	114.8	Y285 T286 G321 S322 D334 Y337 D338	Y283-Y285 AromaticContact CD1-CD1 3.85Å; Y283-Y285 HydrophobicContact CD1-CD1 3.85Å; Y283-Y285 AromaticContact CD1-CE1 3.31Å; Y283-Y285 HydrophobicContact CD1-CE1 3.31Å; Y283-Y285 AromaticContact CD1-CZ 3.69Å; Y283-Y285 HydrophobicContact CE1-CD1 4.39Å; Y283-Y285 AromaticContact CE1-CE1 3.44Å; Y283-Y285 HydrophobicContact CE1-CE1 3.44Å; Y283-Y285 VanDerWaalsContact CE1-CE1 3.44Å; Y283-Y285 AromaticContact CE1-CZ 3.7Å; Y283-Y285 WeakPolarHBondContact CE1-OH 3.06Å; Y283-Y285 HydrophobicContact CG-CE1 4.12Å; Y283-T286 HydrophobicContact CD2-CG2 3.81Å; Y283-T286 HydrophobicContact CG-CG2 3.82Å; Y283-G321 PolarHBondContact O-N 3.42Å; Y283-S322 PolarHBondContact O-N 3.33Å; Y283-D334 WeakPolarHBondContact CA-OD1 3.36Å; Y283-D334 HydrophobicContact CD1-CB 4.44Å; Y283-Y337 AromaticContact CE1-CD1 3.7Å; Y283-Y337 HydrophobicContact CE1-CD1 3.7Å; Y283-Y337 HydrophobicContact CE1-CE1 4.08Å; Y283-Y337 HydrophobicContact CE2-CE1 4.44Å; Y283-Y337 AromaticContact CZ-CD1 3.85Å; Y283-Y337 AromaticContact CZ-CE1 3.76Å; Y283-Y337 WeakPolarHBondContact OH-CE1 3.22Å; Y283-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y283-D338 PolarHBondContact OH-OD1 2.92Å; Y283-D338 VanDerWaalsContact OH-OD1 3.08Å
284	S	87.1	Confident	93	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.042	20%	0.201	C	C	.	.	S	Bend	trans	-97.6	-31.3	169	-69.2	0	0	0	0	111.8	A328 D334	S284-A328 PolarHBondContact O-N 2.89Å; S284-D334 VanDerWaalsContact CA-OD2 3.31Å; S284-D334 WeakPolarHBondContact CA-OD2 3.23Å; S284-D334 VanDerWaalsContact CB-OD2 3.3Å; S284-D334 WeakPolarHBondContact CB-OD2 3.46Å; S284-D334 VanDerWaalsContact N-CG 3.32Å; S284-D334 PolarHBondContact N-OD1 2.93Å; S284-D334 PolarHBondContact N-OD2 2.88Å
285	Y	82.9	Confident	93.3	Very high	33 Å²	33	45.1 Å²	45.1	13%	0.129	21%	0.212	C	C	.	.	S	Bend	trans	-76.9	-15.1	177.8	74.4	-114.6	0	0	0	114.7	H226 Y283 D334	H226-Y285 HydrophobicContact CB-CD2 4.19Å; H226-Y285 HydrophobicContact CB-CG 4.49Å; H226-Y285 AromaticContact CD2-CD2 3.51Å; H226-Y285 AromaticContact CD2-CE2 3.43Å; H226-Y285 VanDerWaalsContact CD2-CE2 3.43Å; H226-Y285 WeakPolarHBondContact CD2-CE2 3.28Å; Y283-Y285 AromaticContact CD1-CD1 3.85Å; Y283-Y285 HydrophobicContact CD1-CD1 3.85Å; Y283-Y285 AromaticContact CD1-CE1 3.31Å; Y283-Y285 HydrophobicContact CD1-CE1 3.31Å; Y283-Y285 AromaticContact CD1-CZ 3.69Å; Y283-Y285 HydrophobicContact CE1-CD1 4.39Å; Y283-Y285 AromaticContact CE1-CE1 3.44Å; Y283-Y285 HydrophobicContact CE1-CE1 3.44Å; Y283-Y285 VanDerWaalsContact CE1-CE1 3.44Å; Y283-Y285 AromaticContact CE1-CZ 3.7Å; Y283-Y285 WeakPolarHBondContact CE1-OH 3.06Å; Y283-Y285 HydrophobicContact CG-CE1 4.12Å; Y285-D334 HydrophobicContact CD1-CB 3.82Å; Y285-D334 WeakPolarHBondContact CD1-OD2 3.38Å; Y285-D334 HydrophobicContact CE1-CB 4.28Å; Y285-D334 PolarHBondContact N-OD2 3.26Å
286	T	85.9	Confident	93.4	Very high	33 Å²	33	44.4 Å²	44.4	20%	0.202	21%	0.209	C	C	.	.			trans	-147.7	159.9	-177.1	-175	0	0	0	0	112.1	Y283 S288 S322	Y283-T286 HydrophobicContact CD2-CG2 3.81Å; Y283-T286 HydrophobicContact CG-CG2 3.82Å; T286-S288 PolarHBondContact OG1-N 3Å; T286-S288 PolarHBondContact OG1-OG 3.15Å; T286-S322 VanDerWaalsContact C-OG 3.27Å; T286-S322 WeakPolarHBondContact O-CB 3.03Å; T286-S322 PolarHBondContact O-OG 2.85Å
287	R	86.1	Confident	93.6	Very high	153 Å²	153	44.6 Å²	44.6	58%	0.577	21%	0.211	S	C	*	.	S	Bend	trans	-83.6	1.2	169.8	-58.6	-170.4	179.5	-67.6	-10	113.3	S322	R287-S322 WeakPolarHBondContact CA-OG 3.44Å; R287-S322 PolarHBondContact N-OG 3.12Å; R287-S322 PolarHBondContact NH1-O 3Å
288	S	88.5	Confident	93.6	Very high	70 Å²	70	47.8 Å²	47.8	49%	0.49	23%	0.228	S	C	.	.	S	Bend	trans	-72.9	134.8	174	-49.3	0	0	0	0	109.6	T286	T286-S288 PolarHBondContact OG1-N 3Å; T286-S288 PolarHBondContact OG1-OG 3.15Å
289	K	92.2	Very high	93.7	Very high	122 Å²	122	47.2 Å²	47.2	53%	0.53	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-63	138.8	170.7	-74.3	-166.4	167.1	-165.6	0	110.3	H293 E294	K289-H293 HydrophobicContact CB-CB 4.1Å; K289-H293 HydrophobicContact CD-CB 4.3Å; K289-H293 VanDerWaalsContact CE-CD2 3.49Å; K289-H293 WeakPolarHBondContact CE-CD2 3.39Å; K289-H293 WeakPolarHBondContact CE-NE2 3.36Å; K289-H293 HydrophobicContact CG-CB 4.43Å; K289-H293 PolarHBondContact NZ-CD2 3.33Å; K289-H293 PolarHBondContact NZ-NE2 3.2Å; K289-E294 IonicContact NZ-OE1 2.92Å; K289-E294 PolarHBondContact NZ-OE1 3.49Å
290	S	93.9	Very high	93.7	Very high	7 Å²	7	47.2 Å²	47.2	5%	0.049	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.9	157.7	166.9	48.4	0	0	0	0	111.1	P282 D292 H293	P282-S290 VanDerWaalsContact O-CB 3.29Å; P282-S290 WeakPolarHBondContact O-CB 3.36Å; P282-S290 PolarHBondContact O-OG 3.31Å; S290-D292 PolarHBondContact O-N 3.43Å; S290-H293 VanDerWaalsContact O-CB 3.25Å; S290-H293 WeakPolarHBondContact O-CB 3.34Å; S290-H293 PolarHBondContact O-N 2.88Å
291	K	96.9	Very high	93.9	Very high	188 Å²	188	49.1 Å²	49.1	82%	0.817	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-37.5	-178.1	176.6	-163.2	169.7	-159.7	0	112	Y337	K291-Y337 WeakPolarHBondContact CB-OH 3.21Å; K291-Y337 PolarHBondContact N-OH 2.74Å
292	D	97.3	Very high	94	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.8	-175.2	-53.7	-92.8	0	0	0	112.6	S290 E294 E295 L296 Y337 K342	S290-D292 PolarHBondContact O-N 3.43Å; D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 2.93Å; D292-E294 VanDerWaalsContact O-N 3.15Å; D292-E295 PolarHBondContact O-N 3.48Å; D292-L296 HydrophobicContact CB-CD1 4.44Å; D292-L296 HydrophobicContact CB-CG 4.35Å; D292-L296 PolarHBondContact O-N 3.27Å; D292-Y337 PolarHBondContact N-OH 2.83Å; D292-Y337 PolarHBondContact OD2-OH 3.25Å; D292-K342 HydrophobicContact CB-CD 4.43Å; D292-K342 HydrophobicContact CB-CG 4.17Å; D292-K342 WeakPolarHBondContact OD1-CD 3.49Å; D292-K342 WeakPolarHBondContact OD1-CE 3.49Å; D292-K342 IonicContact OD1-NZ 3.08Å; D292-K342 PolarHBondContact OD1-NZ 2.87Å
293	H	95.8	Very high	94.1	Very high	17 Å²	17	51.9 Å²	51.9	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-48.6	-44.7	-169.9	177.7	102.2	0	0	0	114.8	F281 K289 S290 E295 L296 S297 H320	F281-H293 AromaticContact CE2-CE1 3.92Å; F281-H293 AromaticContact CE2-ND1 3.71Å; K289-H293 HydrophobicContact CB-CB 4.1Å; K289-H293 HydrophobicContact CD-CB 4.3Å; K289-H293 VanDerWaalsContact CE-CD2 3.49Å; K289-H293 WeakPolarHBondContact CE-CD2 3.39Å; K289-H293 WeakPolarHBondContact CE-NE2 3.36Å; K289-H293 HydrophobicContact CG-CB 4.43Å; K289-H293 PolarHBondContact NZ-CD2 3.33Å; K289-H293 PolarHBondContact NZ-NE2 3.2Å; S290-H293 VanDerWaalsContact O-CB 3.25Å; S290-H293 WeakPolarHBondContact O-CB 3.34Å; S290-H293 PolarHBondContact O-N 2.88Å; H293-E295 VanDerWaalsContact C-N 3.33Å; H293-E295 PolarHBondContact O-N 3.11Å; H293-L296 PolarHBondContact O-N 2.78Å; H293-S297 VanDerWaalsContact O-CB 3.24Å; H293-S297 WeakPolarHBondContact O-CB 3.45Å; H293-S297 PolarHBondContact O-N 3.03Å; H293-H320 AromaticContact CE1-ND1 3.92Å
294	E	97.1	Very high	94.4	Very high	122 Å²	122	51.3 Å²	51.3	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-68.5	-32.1	-178.6	-56.1	-55.4	143.8	0	0	112.2	K289 D292 L298	K289-E294 IonicContact NZ-OE1 2.92Å; K289-E294 PolarHBondContact NZ-OE1 3.49Å; D292-E294 VanDerWaalsContact C-N 3.34Å; D292-E294 PolarHBondContact O-N 2.93Å; D292-E294 VanDerWaalsContact O-N 3.15Å; E294-L298 WeakPolarHBondContact O-CB 3.26Å; E294-L298 PolarHBondContact O-N 3.26Å
295	E	98.2	Very high	94.9	Very high	56 Å²	56	58.9 Å²	58.9	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-76.9	-39.1	176.1	-166.1	-177.6	128.8	0	0	111.4	D292 H293 S297 L298 V299 K342 Y343	D292-E295 PolarHBondContact O-N 3.48Å; H293-E295 VanDerWaalsContact C-N 3.33Å; H293-E295 PolarHBondContact O-N 3.11Å; E295-S297 VanDerWaalsContact C-N 3.33Å; E295-L298 WeakPolarHBondContact O-CB 3.15Å; E295-L298 PolarHBondContact O-N 2.95Å; E295-V299 VanDerWaalsContact O-CG2 3.3Å; E295-V299 WeakPolarHBondContact O-CG2 3.43Å; E295-V299 PolarHBondContact O-N 3.38Å; E295-K342 VanDerWaalsContact CD-CE 3.46Å; E295-K342 WeakPolarHBondContact OE1-CE 3.47Å; E295-K342 IonicContact OE1-NZ 2.7Å; E295-K342 PolarHBondContact OE1-NZ 2.89Å; E295-K342 WeakPolarHBondContact OE2-CE 3.17Å; E295-K342 IonicContact OE2-NZ 3.37Å; E295-K342 PolarHBondContact OE2-NZ 2.95Å; E295-Y343 WeakPolarHBondContact OE1-CE1 3.45Å; E295-Y343 VanDerWaalsContact OE1-CZ 3.28Å; E295-Y343 PolarHBondContact OE1-OH 2.85Å
296	L	98	Very high	95.5	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-39.7	173.2	-61.8	176.8	0	0	0	111.3	F281 D292 H293 V299 A300 Y337 K342 Y343 F345	F281-L296 HydrophobicContact CB-CB 4.03Å; F281-L296 HydrophobicContact CB-CD1 4.31Å; F281-L296 HydrophobicContact CD1-CB 4.41Å; F281-L296 HydrophobicContact CD2-CB 3.48Å; F281-L296 VanDerWaalsContact CD2-CB 3.48Å; F281-L296 HydrophobicContact CD2-CD1 4.16Å; F281-L296 HydrophobicContact CD2-CG 4.47Å; F281-L296 HydrophobicContact CE2-CB 4Å; F281-L296 HydrophobicContact CG-CB 3.72Å; D292-L296 HydrophobicContact CB-CD1 4.44Å; D292-L296 HydrophobicContact CB-CG 4.35Å; D292-L296 PolarHBondContact O-N 3.27Å; H293-L296 PolarHBondContact O-N 2.78Å; L296-V299 PolarHBondContact O-N 2.97Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 2.91Å; L296-Y337 HydrophobicContact CD1-CE2 4.14Å; L296-K342 WeakPolarHBondContact CD2-O 3.23Å; L296-Y343 HydrophobicContact CD2-CD1 4.22Å; L296-F345 HydrophobicContact CB-CE1 4.28Å; L296-F345 HydrophobicContact CB-CZ 4.45Å; L296-F345 HydrophobicContact CD2-CE1 4.13Å; L296-F345 HydrophobicContact CD2-CE2 4.19Å; L296-F345 HydrophobicContact CD2-CZ 3.58Å
297	S	97.4	Very high	96	Very high	31 Å²	31	56.6 Å²	56.6	22%	0.217	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-43.1	171.6	-168.2	0	0	0	0	112	H293 E295 A300 S301 H318	H293-S297 VanDerWaalsContact O-CB 3.24Å; H293-S297 WeakPolarHBondContact O-CB 3.45Å; H293-S297 PolarHBondContact O-N 3.03Å; E295-S297 VanDerWaalsContact C-N 3.33Å; S297-A300 PolarHBondContact O-N 3.35Å; S297-S301 WeakPolarHBondContact O-CB 2.95Å; S297-S301 PolarHBondContact O-N 3.41Å; S297-H318 PolarHBondContact O-CE1 3.2Å
298	L	97.8	Very high	96.5	Very high	91 Å²	91	52.3 Å²	52.3	48%	0.476	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-50	173.4	174.8	62.6	0	0	0	111.5	E294 E295 A300 S301 E302	E294-L298 WeakPolarHBondContact O-CB 3.26Å; E294-L298 PolarHBondContact O-N 3.26Å; E295-L298 WeakPolarHBondContact O-CB 3.15Å; E295-L298 PolarHBondContact O-N 2.95Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.62Å; L298-S301 PolarHBondContact O-N 3.26Å; L298-S301 PolarHBondContact O-OG 3.19Å; L298-E302 WeakPolarHBondContact O-CG 3.3Å; L298-E302 PolarHBondContact O-N 3.09Å
299	V	98.2	Very high	96.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-42.4	178.7	173.4	0	0	0	0	111.5	E295 L296 E302 A303 Y343 F345 I378 H381	E295-V299 VanDerWaalsContact O-CG2 3.3Å; E295-V299 WeakPolarHBondContact O-CG2 3.43Å; E295-V299 PolarHBondContact O-N 3.38Å; L296-V299 PolarHBondContact O-N 2.97Å; V299-E302 WeakPolarHBondContact O-CB 3.28Å; V299-E302 PolarHBondContact O-N 3.06Å; V299-A303 WeakPolarHBondContact O-CB 3.34Å; V299-A303 PolarHBondContact O-N 2.82Å; V299-Y343 HydrophobicContact CG2-CE1 4.5Å; V299-F345 HydrophobicContact CB-CE1 4.22Å; V299-F345 HydrophobicContact CB-CZ 3.68Å; V299-F345 HydrophobicContact CG1-CE1 4.02Å; V299-F345 HydrophobicContact CG1-CE2 3.87Å; V299-F345 HydrophobicContact CG1-CZ 3.35Å; V299-F345 HydrophobicContact CG2-CZ 4.47Å; V299-I378 HydrophobicContact CG1-CB 4.44Å; V299-I378 HydrophobicContact CG1-CG1 3.89Å; V299-I378 HydrophobicContact CG1-CG2 4.43Å; V299-H381 HydrophobicContact CG2-CB 4.33Å
300	A	97.9	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-41.5	175.5	0	0	0	0	0	111.7	I279 F281 L296 S297 L298 E302 A303 V304 H318 F345	I279-A300 HydrophobicContact CB-CB 4.31Å; I279-A300 HydrophobicContact CG2-CB 3.76Å; F281-A300 HydrophobicContact CD1-CB 4.02Å; F281-A300 HydrophobicContact CE1-CB 4.03Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 2.91Å; S297-A300 PolarHBondContact O-N 3.35Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.62Å; A300-E302 VanDerWaalsContact C-N 3.31Å; A300-E302 PolarHBondContact O-N 2.68Å; A300-A303 PolarHBondContact O-N 3.31Å; A300-A303 VanDerWaalsContact O-N 3.12Å; A300-V304 PolarHBondContact O-N 3.46Å; A300-H318 HydrophobicContact CB-CB 3.76Å; A300-F345 HydrophobicContact CB-CE1 4.45Å
301	S	98.1	Very high	96.7	Very high	41 Å²	41	54.5 Å²	54.5	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-37.8	174.5	84.1	0	0	0	0	112.3	S297 L298 A303 V304 R305 H318	S297-S301 WeakPolarHBondContact O-CB 2.95Å; S297-S301 PolarHBondContact O-N 3.41Å; L298-S301 PolarHBondContact O-N 3.26Å; L298-S301 PolarHBondContact O-OG 3.19Å; S301-A303 VanDerWaalsContact C-N 3.35Å; S301-V304 WeakPolarHBondContact O-CG2 3.37Å; S301-R305 VanDerWaalsContact O-CB 3.28Å; S301-R305 WeakPolarHBondContact O-CB 3.45Å; S301-R305 PolarHBondContact O-N 2.64Å; S301-H318 WeakPolarHBondContact CB-NE2 3.47Å
302	E	98	Very high	96.2	Very high	57 Å²	57	53.8 Å²	53.8	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-38.5	173.7	-72.4	-147.4	109.4	0	0	111.7	L298 V299 A300 A306 K377 H381 R384	L298-E302 WeakPolarHBondContact O-CG 3.3Å; L298-E302 PolarHBondContact O-N 3.09Å; V299-E302 WeakPolarHBondContact O-CB 3.28Å; V299-E302 PolarHBondContact O-N 3.06Å; A300-E302 VanDerWaalsContact C-N 3.31Å; A300-E302 PolarHBondContact O-N 2.68Å; E302-A306 PolarHBondContact O-N 3.42Å; E302-K377 HydrophobicContact CB-CD 4.47Å; E302-K377 HydrophobicContact CB-CG 3.99Å; E302-K377 WeakPolarHBondContact OE1-CE 3.49Å; E302-K377 IonicContact OE1-NZ 2.62Å; E302-K377 PolarHBondContact OE1-NZ 3.36Å; E302-K377 WeakPolarHBondContact OE2-CE 3.22Å; E302-K377 IonicContact OE2-NZ 3.62Å; E302-K377 PolarHBondContact OE2-NZ 3.04Å; E302-K377 VanDerWaalsContact OE2-NZ 3.1Å; E302-H381 IonicContact OE2-ND1 2.64Å; E302-H381 PolarHBondContact OE2-ND1 2.92Å; E302-R384 IonicContact OE2-NH2 3.23Å
303	A	97.9	Very high	95.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.1	-45.3	-178.9	0	0	0	0	0	112.8	I279 V299 A300 S301 R305 A306 I307 A374 I378	I279-A303 HydrophobicContact CD1-CB 3.69Å; V299-A303 WeakPolarHBondContact O-CB 3.34Å; V299-A303 PolarHBondContact O-N 2.82Å; A300-A303 PolarHBondContact O-N 3.31Å; A300-A303 VanDerWaalsContact O-N 3.12Å; S301-A303 VanDerWaalsContact C-N 3.35Å; A303-R305 PolarHBondContact O-N 3.17Å; A303-A306 WeakPolarHBondContact O-CA 3.3Å; A303-A306 WeakPolarHBondContact O-CB 3.46Å; A303-A306 PolarHBondContact O-N 3.4Å; A303-I307 PolarHBondContact O-N 3.15Å; A303-A374 HydrophobicContact CB-CB 4.03Å; A303-I378 HydrophobicContact CB-CD1 4.41Å; A303-I378 HydrophobicContact CB-CG1 4.22Å
304	V	97.8	Very high	95.8	Very high	21 Å²	21	59.9 Å²	59.9	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-32.4	174.4	-55.5	0	0	0	0	111.8	I279 A300 S301 A306 I307 E308 Y316 H318	I279-V304 HydrophobicContact CB-CG1 4.42Å; I279-V304 HydrophobicContact CD1-CG1 3.55Å; I279-V304 HydrophobicContact CG1-CG1 3.79Å; A300-V304 PolarHBondContact O-N 3.46Å; S301-V304 WeakPolarHBondContact O-CG2 3.37Å; V304-A306 VanDerWaalsContact C-N 3.31Å; V304-A306 PolarHBondContact O-N 2.9Å; V304-I307 WeakPolarHBondContact O-CB 3.26Å; V304-I307 PolarHBondContact O-N 2.69Å; V304-E308 PolarHBondContact O-N 3.11Å; V304-Y316 WeakPolarHBondContact CG1-O 3.48Å; V304-H318 HydrophobicContact CG1-CB 4.31Å
305	R	97.6	Very high	95.7	Very high	166 Å²	166	62.7 Å²	62.7	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-72.4	-22.3	173	-167.1	177.5	-176.2	-161.6	3.8	112.9	S301 A303 K309	S301-R305 VanDerWaalsContact O-CB 3.28Å; S301-R305 WeakPolarHBondContact O-CB 3.45Å; S301-R305 PolarHBondContact O-N 2.64Å; A303-R305 PolarHBondContact O-N 3.17Å; R305-K309 WeakPolarHBondContact O-CD 3.17Å; R305-K309 VanDerWaalsContact O-CG 3.26Å; R305-K309 WeakPolarHBondContact O-CG 3.28Å; R305-K309 PolarHBondContact O-N 3.02Å
306	A	95.6	Very high	95.6	Very high	17 Å²	17	60.6 Å²	60.6	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-74.5	-38.7	169.3	0	0	0	0	0	111.2	E302 A303 V304 K309 I310 A373 K377	E302-A306 PolarHBondContact O-N 3.42Å; A303-A306 WeakPolarHBondContact O-CA 3.3Å; A303-A306 WeakPolarHBondContact O-CB 3.46Å; A303-A306 PolarHBondContact O-N 3.4Å; V304-A306 VanDerWaalsContact C-N 3.31Å; V304-A306 PolarHBondContact O-N 2.9Å; A306-K309 PolarHBondContact O-N 3.13Å; A306-I310 PolarHBondContact O-N 2.97Å; A306-A373 HydrophobicContact CB-CB 4.13Å; A306-K377 HydrophobicContact CB-CB 4.09Å; A306-K377 HydrophobicContact CB-CG 4.36Å
307	I	96.8	Very high	95.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-56	173	-71.2	169	0	0	0	111.2	I279 A303 V304 K309 I310 S311 Y316 E370 A374	I279-I307 HydrophobicContact CD1-CD1 4.48Å; A303-I307 PolarHBondContact O-N 3.15Å; V304-I307 WeakPolarHBondContact O-CB 3.26Å; V304-I307 PolarHBondContact O-N 2.69Å; I307-K309 PolarHBondContact O-N 3.22Å; I307-K309 VanDerWaalsContact O-N 3.13Å; I307-I310 PolarHBondContact O-N 3.33Å; I307-S311 PolarHBondContact O-N 3.3Å; I307-Y316 HydrophobicContact CB-CD2 4.45Å; I307-Y316 HydrophobicContact CD1-CD1 3.69Å; I307-Y316 HydrophobicContact CD1-CD2 3.87Å; I307-Y316 HydrophobicContact CD1-CE1 3.9Å; I307-Y316 HydrophobicContact CD1-CE2 4.07Å; I307-Y316 HydrophobicContact CD1-CG 3.67Å; I307-Y316 HydrophobicContact CG2-CD2 3.52Å; I307-Y316 HydrophobicContact CG2-CE2 3.63Å; I307-Y316 HydrophobicContact CG2-CG 4.34Å; I307-E370 HydrophobicContact CB-CB 4.3Å; I307-E370 HydrophobicContact CG1-CB 4.18Å; I307-E370 HydrophobicContact CG1-CG 4.32Å; I307-E370 WeakPolarHBondContact CG1-O 3.08Å; I307-E370 HydrophobicContact CG2-CB 3.95Å; I307-E370 HydrophobicContact CG2-CG 4.01Å; I307-A374 HydrophobicContact CD1-CB 3.98Å; I307-A374 HydrophobicContact CG1-CB 4.02Å
308	E	96.1	Very high	95.5	Very high	64 Å²	64	65.8 Å²	65.8	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-28.5	-176.7	-170	-179.4	-143.3	0	0	112.2	V304 S311 K312 R315	V304-E308 PolarHBondContact O-N 3.11Å; E308-S311 CarbonylContact O-C 3.59Å; E308-K312 VanDerWaalsContact O-CA 3.28Å; E308-K312 WeakPolarHBondContact O-CA 3.12Å; E308-K312 PolarHBondContact O-N 2.99Å; E308-R315 IonicContact OE1-CZ 2.74Å; E308-R315 IonicContact OE1-NE 2.84Å; E308-R315 PolarHBondContact OE1-NE 2.92Å; E308-R315 IonicContact OE1-NH2 3.89Å; E308-R315 PolarHBondContact OE1-NH2 3.22Å
309	K	95	Very high	95.1	Very high	151 Å²	151	62 Å²	62	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-69.9	-32.5	173.9	-79	177.1	178.6	-174.1	0	114.1	R305 A306 I307	R305-K309 WeakPolarHBondContact O-CD 3.17Å; R305-K309 VanDerWaalsContact O-CG 3.26Å; R305-K309 WeakPolarHBondContact O-CG 3.28Å; R305-K309 PolarHBondContact O-N 3.02Å; A306-K309 PolarHBondContact O-N 3.13Å; I307-K309 PolarHBondContact O-N 3.22Å; I307-K309 VanDerWaalsContact O-N 3.13Å
310	I	90.6	Very high	94.2	Very high	79 Å²	79	62.4 Å²	62.4	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-83.8	-38.6	175.8	-64.5	-59.7	0	0	0	110.7	A306 I307 R369 E370 A373	A306-I310 PolarHBondContact O-N 2.97Å; I307-I310 PolarHBondContact O-N 3.33Å; I310-R369 HydrophobicContact CG2-CB 4.17Å; I310-E370 HydrophobicContact CB-CB 4.38Å; I310-E370 HydrophobicContact CG2-CB 4.23Å; I310-A373 HydrophobicContact CG1-CB 3.69Å
311	S	93.8	Very high	92.8	Very high	14 Å²	14	62.5 Å²	62.5	10%	0.098	30%	0.298	C	S	.	.	S	Bend	trans	-125.9	82.3	-175	-66.7	0	0	0	0	110.5	I307 E308 N313 T314 R350 E370	I307-S311 PolarHBondContact O-N 3.3Å; E308-S311 CarbonylContact O-C 3.59Å; S311-N313 PolarHBondContact O-N 3.47Å; S311-T314 PolarHBondContact O-N 2.89Å; S311-R350 PolarHBondContact OG-NH2 2.87Å; S311-E370 WeakPolarHBondContact CB-OE2 3.47Å; S311-E370 PolarHBondContact OG-OE2 3.04Å
312	K	85.6	Confident	91.5	Very high	174 Å²	174	60.6 Å²	60.6	76%	0.757	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-30.6	-171.2	-68.3	-174	176.8	-177.5	0	116.3	E308	E308-K312 VanDerWaalsContact O-CA 3.28Å; E308-K312 WeakPolarHBondContact O-CA 3.12Å; E308-K312 PolarHBondContact O-N 2.99Å
313	N	89.6	Confident	90.2	Very high	161 Å²	161	64.2 Å²	64.2	86%	0.861	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	16.4	-176.8	-63	9.7	0	0	0	112.3	S311	S311-N313 PolarHBondContact O-N 3.47Å
314	T	94.1	Very high	88.6	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.067	32%	0.315	C	S	.	.			trans	-124.7	118.7	-175.5	-51.7	0	0	0	0	109.3	S311 Y316 R350	S311-T314 PolarHBondContact O-N 2.89Å; T314-Y316 HydrophobicContact CG2-CD2 4.23Å; T314-Y316 HydrophobicContact CG2-CE2 3.71Å; T314-R350 HydrophobicContact CG2-CG 4.39Å; T314-R350 VanDerWaalsContact OG1-CZ 3.27Å; T314-R350 PolarHBondContact OG1-NH2 2.83Å
315	R	95.4	Very high	87.3	Confident	181 Å²	181	67.4 Å²	67.4	68%	0.683	32%	0.32	S	S	*	.			trans	-119.3	128.4	-174.2	-71.6	-174.9	163.6	-174.2	-8.4	109.9	Q277 E308	Q277-R315 WeakPolarHBondContact CB-O 3.32Å; Q277-R315 PolarHBondContact NE2-O 2.74Å; E308-R315 IonicContact OE1-CZ 2.74Å; E308-R315 IonicContact OE1-NE 2.84Å; E308-R315 PolarHBondContact OE1-NE 2.92Å; E308-R315 IonicContact OE1-NH2 3.89Å; E308-R315 PolarHBondContact OE1-NH2 3.22Å
316	Y	97.4	Very high	86.2	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.047	30%	0.299	C	S	.	.			trans	-105.8	137.3	172.3	-75.3	-129	0	0	0	107.4	Q277 V304 I307 T314 I347 E348 L349 R350 E370	Q277-Y316 HydrophobicContact CB-CD1 4.04Å; Q277-Y316 HydrophobicContact CB-CD2 3.73Å; Q277-Y316 HydrophobicContact CB-CE1 4.21Å; Q277-Y316 HydrophobicContact CB-CE2 3.92Å; Q277-Y316 HydrophobicContact CB-CG 3.81Å; Q277-Y316 HydrophobicContact CG-CD2 4.09Å; Q277-Y316 HydrophobicContact CG-CE1 4.43Å; Q277-Y316 HydrophobicContact CG-CE2 3.77Å; Q277-Y316 CarbonylContact O-C 3.53Å; Q277-Y316 WeakPolarHBondContact O-CA 3.23Å; V304-Y316 WeakPolarHBondContact CG1-O 3.48Å; I307-Y316 HydrophobicContact CB-CD2 4.45Å; I307-Y316 HydrophobicContact CD1-CD1 3.69Å; I307-Y316 HydrophobicContact CD1-CD2 3.87Å; I307-Y316 HydrophobicContact CD1-CE1 3.9Å; I307-Y316 HydrophobicContact CD1-CE2 4.07Å; I307-Y316 HydrophobicContact CD1-CG 3.67Å; I307-Y316 HydrophobicContact CG2-CD2 3.52Å; I307-Y316 HydrophobicContact CG2-CE2 3.63Å; I307-Y316 HydrophobicContact CG2-CG 4.34Å; T314-Y316 HydrophobicContact CG2-CD2 4.23Å; T314-Y316 HydrophobicContact CG2-CE2 3.71Å; Y316-I347 HydrophobicContact CE1-CG2 4.41Å; Y316-E348 WeakPolarHBondContact CD1-O 3.38Å; Y316-E348 WeakPolarHBondContact CE1-O 3.37Å; Y316-L349 HydrophobicContact CE1-CD2 3.91Å; Y316-L349 WeakPolarHBondContact OH-CD2 3.4Å; Y316-R350 PolarHBondContact OH-N 2.85Å; Y316-E370 WeakPolarHBondContact CE2-OE1 3.39Å; Y316-E370 PolarHBondContact OH-OE1 2.88Å
317	T	96.1	Very high	85.5	Confident	79 Å²	79	62 Å²	62	49%	0.485	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	166.6	169.3	39.6	0	0	0	0	109.3	Q277 H278 I279	Q277-T317 PolarHBondContact O-N 2.69Å; Q277-T317 PolarHBondContact O-OG1 3.45Å; H278-T317 CarbonylContact C-O 3.53Å; H278-T317 VanDerWaalsContact CA-O 3.26Å; H278-T317 WeakPolarHBondContact CA-O 3.27Å; H278-T317 VanDerWaalsContact CE1-C 3.46Å; H278-T317 VanDerWaalsContact CE1-CA 3.49Å; H278-T317 WeakPolarHBondContact CE1-CA 3.42Å; H278-T317 WeakPolarHBondContact CE1-CB 3.34Å; H278-T317 PolarHBondContact CE1-OG1 3.43Å; H278-T317 WeakPolarHBondContact ND1-CB 3.21Å; H278-T317 PolarHBondContact ND1-O 3.05Å; H278-T317 PolarHBondContact ND1-OG1 3.47Å; H278-T317 VanDerWaalsContact NE2-C 3.34Å; H278-T317 WeakPolarHBondContact NE2-CB 3.35Å; H278-T317 PolarHBondContact NE2-OG1 3.32Å; I279-T317 PolarHBondContact N-O 3.1Å
318	H	95.6	Very high	84.7	Confident	61 Å²	61	62.6 Å²	62.6	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.6	175.2	67.7	94.3	0	0	0	111.6	H278 I279 S297 A300 S301 V304	H278-H318 VanDerWaalsContact NE2-C 3.31Å; H278-H318 WeakPolarHBondContact NE2-CA 3.41Å; H278-H318 PolarHBondContact NE2-N 3.31Å; H278-H318 PolarHBondContact NE2-O 3.34Å; I279-H318 HydrophobicContact CB-CB 3.98Å; I279-H318 WeakPolarHBondContact O-CA 3.36Å; I279-H318 VanDerWaalsContact O-CB 3.31Å; I279-H318 WeakPolarHBondContact O-CB 3.4Å; S297-H318 PolarHBondContact O-CE1 3.2Å; A300-H318 HydrophobicContact CB-CB 3.76Å; S301-H318 WeakPolarHBondContact CB-NE2 3.47Å; V304-H318 HydrophobicContact CG1-CB 4.31Å
319	G	90.1	Very high	84	Confident	11 Å²	11	59.6 Å²	59.6	11%	0.113	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-176.6	179.2	0	0	0	0	0	112.2	I279 V280 F281 T324	I279-G319 PolarHBondContact O-N 2.79Å; I279-G319 VanDerWaalsContact O-N 3.12Å; V280-G319 WeakPolarHBondContact CA-O 3.08Å; F281-G319 WeakPolarHBondContact CD1-O 3.47Å; F281-G319 VanDerWaalsContact CE1-C 3.47Å; F281-G319 WeakPolarHBondContact CE1-O 3.37Å; F281-G319 PolarHBondContact N-O 2.81Å; G319-T324 WeakPolarHBondContact CA-OG1 3.29Å
320	H	80.3	Confident	83.2	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	149.1	174.1	81.9	-87.2	0	0	0	110.9	F281 H293 S322 E323 T324	F281-H320 HydrophobicContact CE2-CB 4.27Å; F281-H320 WeakPolarHBondContact O-CA 3.28Å; H293-H320 AromaticContact CE1-ND1 3.92Å; H320-S322 PolarHBondContact CD2-OG 3.08Å; H320-S322 PolarHBondContact NE2-OG 2.82Å; H320-S322 PolarHBondContact O-N 2.96Å; H320-E323 WeakPolarHBondContact CE1-CB 3.23Å; H320-E323 IonicContact CE1-OE2 3.5Å; H320-E323 PolarHBondContact CE1-OE2 2.89Å; H320-E323 IonicContact ND1-OE2 2.68Å; H320-E323 PolarHBondContact ND1-OE2 2.68Å; H320-E323 VanDerWaalsContact ND1-OE2 3.08Å; H320-T324 PolarHBondContact N-OG1 2.93Å; H320-T324 PolarHBondContact O-N 2.7Å; H320-T324 VanDerWaalsContact O-N 3.16Å; H320-T324 PolarHBondContact O-OG1 3.36Å
321	G	67.8	Low	83	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-48.6	-164.3	0	0	0	0	0	114.5	V280 F281 Y283 E323 T324 L325 Y326	V280-G321 VanDerWaalsContact CG1-CA 3.41Å; F281-G321 PolarHBondContact O-N 3Å; Y283-G321 PolarHBondContact O-N 3.42Å; G321-E323 PolarHBondContact O-N 2.85Å; G321-T324 PolarHBondContact O-N 3.43Å; G321-L325 PolarHBondContact O-N 2.89Å; G321-Y326 PolarHBondContact O-N 3.34Å
322	S	71.5	Confident	82.7	Confident	2 Å²	2	48 Å²	48	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-74.1	-25.4	-170.7	70.7	0	0	0	0	115.2	Y283 T286 R287 H320 L327	Y283-S322 PolarHBondContact O-N 3.33Å; T286-S322 VanDerWaalsContact C-OG 3.27Å; T286-S322 WeakPolarHBondContact O-CB 3.03Å; T286-S322 PolarHBondContact O-OG 2.85Å; R287-S322 WeakPolarHBondContact CA-OG 3.44Å; R287-S322 PolarHBondContact N-OG 3.12Å; R287-S322 PolarHBondContact NH1-O 3Å; H320-S322 PolarHBondContact CD2-OG 3.08Å; H320-S322 PolarHBondContact NE2-OG 2.82Å; H320-S322 PolarHBondContact O-N 2.96Å; S322-L327 VanDerWaalsContact CB-CD2 3.48Å
323	E	70.5	Confident	82.9	Confident	132 Å²	132	39.8 Å²	39.8	62%	0.617	20%	0.198	S	C	*	.	H	α-helix	trans	-79.2	-44.7	170.8	173.4	171.9	-148.1	0	0	111.5	H320 G321	H320-E323 WeakPolarHBondContact CE1-CB 3.23Å; H320-E323 IonicContact CE1-OE2 3.5Å; H320-E323 PolarHBondContact CE1-OE2 2.89Å; H320-E323 IonicContact ND1-OE2 2.68Å; H320-E323 PolarHBondContact ND1-OE2 2.68Å; H320-E323 VanDerWaalsContact ND1-OE2 3.08Å; G321-E323 PolarHBondContact O-N 2.85Å
324	T	64.5	Low	83.1	Confident	44 Å²	44	32.1 Å²	32.1	27%	0.27	16%	0.157	S	C	.	.	H	α-helix	trans	-89.5	-31.5	-164.9	-21	0	0	0	0	113.2	H278 G319 H320 G321	H278-T324 WeakPolarHBondContact NE2-CG2 3.14Å; G319-T324 WeakPolarHBondContact CA-OG1 3.29Å; H320-T324 PolarHBondContact N-OG1 2.93Å; H320-T324 PolarHBondContact O-N 2.7Å; H320-T324 VanDerWaalsContact O-N 3.16Å; H320-T324 PolarHBondContact O-OG1 3.36Å; G321-T324 PolarHBondContact O-N 3.43Å
325	L	69.8	Low	83.1	Confident	45 Å²	45	32 Å²	32	24%	0.236	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-88.8	170.8	-62.7	-178.4	0	0	0	110.8	K66 V280 G321 E348	K66-L325 PolarHBondContact NZ-O 2.93Å; V280-L325 HydrophobicContact CG2-CD1 3.65Å; V280-L325 HydrophobicContact CG2-CG 4.13Å; G321-L325 PolarHBondContact O-N 2.89Å; L325-E348 HydrophobicContact CD1-CG 4.44Å
326	Y	73.8	Confident	83	Confident	48 Å²	48	23.4 Å²	23.4	19%	0.188	12%	0.123	C	C	.	.			trans	-168.2	166.8	-176.3	49.2	-85.7	0	0	0	108.8	V57 L61 R202 G321	V57-Y326 HydrophobicContact CG1-CE2 3.61Å; L61-Y326 HydrophobicContact CD1-CD1 4.43Å; L61-Y326 HydrophobicContact CD1-CD2 3.52Å; L61-Y326 HydrophobicContact CD1-CE2 3.96Å; L61-Y326 HydrophobicContact CD1-CG 3.81Å; R202-Y326 PolarHBondContact NH1-OH 2.77Å; R202-Y326 VanDerWaalsContact NH1-OH 3.17Å; G321-Y326 PolarHBondContact O-N 3.34Å
327	L	80.8	Confident	83	Confident	21 Å²	21	23.6 Å²	23.6	11%	0.11	12%	0.124	C	C	.	.			trans	-65.2	137.9	176	-78.2	162.7	0	0	0	110.9	E230 G231 S322	E230-L327 HydrophobicContact CB-CD1 4.46Å; E230-L327 HydrophobicContact CG-CD1 4.06Å; E230-L327 WeakPolarHBondContact O-CB 3.35Å; E230-L327 WeakPolarHBondContact OE1-CD1 3.3Å; G231-L327 VanDerWaalsContact CA-O 3.29Å; G231-L327 WeakPolarHBondContact CA-O 3.41Å; S322-L327 VanDerWaalsContact CB-CD2 3.48Å
328	A	80.5	Confident	82.9	Confident	13 Å²	13	22.9 Å²	22.9	11%	0.107	12%	0.117	C	C	.	.			trans	-151.2	67.4	-168.9	0	0	0	0	0	112.4	S284	S284-A328 PolarHBondContact O-N 2.89Å
329	P	82.1	Confident	82.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	148.9	-174.6	32.8	-36.4	0	0	0	114	R220 H226 E230 A232	R220-P329 WeakPolarHBondContact CA-O 3.48Å; R220-P329 WeakPolarHBondContact CD-O 3.23Å; H226-P329 WeakPolarHBondContact O-CB 3.42Å; E230-P329 WeakPolarHBondContact O-CD 3.2Å; E230-P329 WeakPolarHBondContact O-CG 3.26Å; A232-P329 HydrophobicContact CB-CG 4Å
330	G	78.1	Confident	83.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	14.5	-174.9	0	0	0	0	0	114.4	N219 R220 N221 F222 S224	N219-G330 CarbonylContact C-O 3.59Å; N219-G330 VanDerWaalsContact C-O 3.25Å; N219-G330 CarbonylContact O-C 2.78Å; R220-G330 CarbonylContact C-O 3.38Å; R220-G330 WeakPolarHBondContact CA-O 3.17Å; R220-G330 PolarHBondContact N-O 2.65Å; N221-G330 PolarHBondContact N-O 3.07Å; F222-G330 WeakPolarHBondContact CB-O 3.33Å; F222-G330 PolarHBondContact N-O 3.04Å; F222-G330 VanDerWaalsContact N-O 3.1Å; S224-G330 VanDerWaalsContact OG-CA 3.26Å; S224-G330 WeakPolarHBondContact OG-CA 3.32Å; S224-G330 PolarHBondContact OG-N 2.94Å
331	G	86.2	Confident	84	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.			trans	-67.9	146.2	171.1	0	0	0	0	0	112.7	N219 D333 W335	N219-G331 WeakPolarHBondContact O-CA 3.39Å; N219-G331 PolarHBondContact O-N 3.03Å; N219-G331 VanDerWaalsContact OD1-CA 3.23Å; N219-G331 WeakPolarHBondContact OD1-CA 3.42Å; G331-D333 PolarHBondContact O-N 3.08Å; G331-W335 VanDerWaalsContact O-CB 3.23Å; G331-W335 WeakPolarHBondContact O-CB 3.37Å; G331-W335 PolarHBondContact O-N 3.04Å
332	G	86.3	Confident	85.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-28	176.1	0	0	0	0	0	112.7	N219 F222 I336	N219-G332 PolarHBondContact OD1-N 3.17Å; F222-G332 VanDerWaalsContact CD2-N 3.31Å; G332-I336 WeakPolarHBondContact O-CB 3.48Å; G332-I336 VanDerWaalsContact O-CG2 3.27Å; G332-I336 WeakPolarHBondContact O-CG2 3.43Å; G332-I336 PolarHBondContact O-N 3.45Å
333	D	91.4	Very high	86.7	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-50.2	175.9	56.4	-17.1	0	0	0	112.4	Y269 G331 Y337 S344 T346	Y269-D333 HydrophobicContact CD1-CB 4.22Å; Y269-D333 VanDerWaalsContact CE1-CA 3.47Å; Y269-D333 HydrophobicContact CE1-CB 3.93Å; G331-D333 PolarHBondContact O-N 3.08Å; D333-Y337 WeakPolarHBondContact O-CB 3.31Å; D333-Y337 PolarHBondContact O-N 3.37Å; D333-S344 VanDerWaalsContact C-OG 3.26Å; D333-S344 WeakPolarHBondContact CA-OG 3.27Å; D333-S344 WeakPolarHBondContact O-CB 3.47Å; D333-S344 PolarHBondContact O-OG 3.31Å; D333-T346 WeakPolarHBondContact CB-OG1 3.38Å; D333-T346 WeakPolarHBondContact OD2-CB 3.45Å; D333-T346 PolarHBondContact OD2-OG1 2.93Å
334	D	92.8	Very high	88	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-47.3	173.3	-81.5	-4.2	0	0	0	111.4	P282 Y283 S284 Y285 I336 Y337 D338	P282-D334 WeakPolarHBondContact CA-OD1 3.42Å; P282-D334 VanDerWaalsContact CB-OD1 3.27Å; P282-D334 WeakPolarHBondContact CB-OD1 3.47Å; Y283-D334 WeakPolarHBondContact CA-OD1 3.36Å; Y283-D334 HydrophobicContact CD1-CB 4.44Å; S284-D334 VanDerWaalsContact CA-OD2 3.31Å; S284-D334 WeakPolarHBondContact CA-OD2 3.23Å; S284-D334 VanDerWaalsContact CB-OD2 3.3Å; S284-D334 WeakPolarHBondContact CB-OD2 3.46Å; S284-D334 VanDerWaalsContact N-CG 3.32Å; S284-D334 PolarHBondContact N-OD1 2.93Å; S284-D334 PolarHBondContact N-OD2 2.88Å; Y285-D334 HydrophobicContact CD1-CB 3.82Å; Y285-D334 WeakPolarHBondContact CD1-OD2 3.38Å; Y285-D334 HydrophobicContact CE1-CB 4.28Å; Y285-D334 PolarHBondContact N-OD2 3.26Å; D334-I336 PolarHBondContact O-N 3.44Å; D334-Y337 WeakPolarHBondContact O-CB 3.47Å; D334-Y337 PolarHBondContact O-N 2.9Å; D334-D338 PolarHBondContact O-N 3.35Å
335	W	93.8	Very high	89.6	Confident	7 Å²	7	20.1 Å²	20.1	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-44.5	-177.4	166.3	71.8	0	0	0	112.8	F222 A256 L259 R260 G331 D338 L339	F222-W335 HydrophobicContact CB-CB 3.66Å; F222-W335 HydrophobicContact CB-CD2 4.07Å; F222-W335 HydrophobicContact CB-CE3 4.45Å; F222-W335 HydrophobicContact CB-CG 3.73Å; F222-W335 AromaticContact CD1-CD2 3.77Å; F222-W335 HydrophobicContact CD1-CD2 3.77Å; F222-W335 AromaticContact CD1-CE3 3.43Å; F222-W335 HydrophobicContact CD1-CE3 3.43Å; F222-W335 VanDerWaalsContact CD1-CE3 3.43Å; F222-W335 HydrophobicContact CD1-CG 4.34Å; F222-W335 AromaticContact CD1-CZ3 3.87Å; F222-W335 HydrophobicContact CD1-CZ3 3.87Å; F222-W335 AromaticContact CE1-CE3 3.97Å; F222-W335 HydrophobicContact CE1-CE3 3.97Å; F222-W335 HydrophobicContact CE1-CZ3 4.03Å; F222-W335 HydrophobicContact CG-CB 4.43Å; F222-W335 HydrophobicContact CG-CD2 4.31Å; F222-W335 HydrophobicContact CG-CE3 4.21Å; F222-W335 HydrophobicContact CG-CG 4.43Å; A256-W335 HydrophobicContact CB-CH2 3.56Å; A256-W335 HydrophobicContact CB-CZ2 3.78Å; A256-W335 HydrophobicContact CB-CZ3 4.21Å; L259-W335 HydrophobicContact CB-CH2 4.14Å; L259-W335 HydrophobicContact CB-CZ3 4.26Å; L259-W335 HydrophobicContact CD1-CH2 4.35Å; L259-W335 HydrophobicContact CD1-CZ3 3.72Å; R260-W335 HydrophobicContact CG-CH2 4.35Å; R260-W335 HydrophobicContact CG-CZ2 4.21Å; G331-W335 VanDerWaalsContact O-CB 3.23Å; G331-W335 WeakPolarHBondContact O-CB 3.37Å; G331-W335 PolarHBondContact O-N 3.04Å; W335-D338 PolarHBondContact O-N 3.02Å; W335-L339 HydrophobicContact CD2-CD1 4.21Å; W335-L339 VanDerWaalsContact CE2-CD1 3.5Å; W335-L339 HydrophobicContact CH2-CD1 3.96Å; W335-L339 HydrophobicContact CZ2-CD1 3.38Å; W335-L339 WeakPolarHBondContact O-CG 3.22Å; W335-L339 PolarHBondContact O-N 2.71Å; W335-L339 VanDerWaalsContact O-N 3.16Å
336	I	93.9	Very high	90.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-78	-24.4	-178.5	-150.1	-175	0	0	0	112.3	L259 Y269 G332 D334 L339 G340 I341	L259-I336 HydrophobicContact CD1-CD1 4.22Å; L259-I336 HydrophobicContact CD2-CD1 4.04Å; Y269-I336 HydrophobicContact CD1-CG2 3.76Å; Y269-I336 HydrophobicContact CD2-CD1 3.81Å; Y269-I336 HydrophobicContact CD2-CG2 3.97Å; Y269-I336 HydrophobicContact CE1-CG2 4.42Å; Y269-I336 HydrophobicContact CG-CD1 4.22Å; Y269-I336 HydrophobicContact CG-CG2 3.5Å; G332-I336 WeakPolarHBondContact O-CB 3.48Å; G332-I336 VanDerWaalsContact O-CG2 3.27Å; G332-I336 WeakPolarHBondContact O-CG2 3.43Å; G332-I336 PolarHBondContact O-N 3.45Å; D334-I336 PolarHBondContact O-N 3.44Å; I336-L339 CarbonylContact O-C 3.35Å; I336-L339 PolarHBondContact O-N 2.7Å; I336-G340 PolarHBondContact O-N 3.02Å; I336-I341 HydrophobicContact CD1-CB 4.24Å; I336-I341 HydrophobicContact CD1-CG1 3.86Å; I336-I341 HydrophobicContact CD1-CG2 4.46Å; I336-I341 HydrophobicContact CG1-CB 3.99Å; I336-I341 HydrophobicContact CG1-CG1 3.7Å; I336-I341 HydrophobicContact CG2-CB 4.28Å; I336-I341 WeakPolarHBondContact O-CB 3.13Å; I336-I341 PolarHBondContact O-N 3.11Å
337	Y	96.8	Very high	92	Very high	16 Å²	16	16.1 Å²	16.1	6%	0.063	10%	0.097	C	C	.	.	H	α-helix	trans	-67.5	-43.1	169.7	180	-98.3	0	0	0	111.3	P282 Y283 K291 D292 L296 D333 D334 L339 G340 K342	P282-Y337 HydrophobicContact CB-CD1 3.97Å; P282-Y337 HydrophobicContact CB-CG 4.04Å; P282-Y337 HydrophobicContact CG-CD1 4.43Å; P282-Y337 HydrophobicContact CG-CG 4Å; Y283-Y337 AromaticContact CE1-CD1 3.7Å; Y283-Y337 HydrophobicContact CE1-CD1 3.7Å; Y283-Y337 HydrophobicContact CE1-CE1 4.08Å; Y283-Y337 HydrophobicContact CE2-CE1 4.44Å; Y283-Y337 AromaticContact CZ-CD1 3.85Å; Y283-Y337 AromaticContact CZ-CE1 3.76Å; Y283-Y337 WeakPolarHBondContact OH-CE1 3.22Å; K291-Y337 WeakPolarHBondContact CB-OH 3.21Å; K291-Y337 PolarHBondContact N-OH 2.74Å; D292-Y337 PolarHBondContact N-OH 2.83Å; D292-Y337 PolarHBondContact OD2-OH 3.25Å; L296-Y337 HydrophobicContact CD1-CE2 4.14Å; D333-Y337 WeakPolarHBondContact O-CB 3.31Å; D333-Y337 PolarHBondContact O-N 3.37Å; D334-Y337 WeakPolarHBondContact O-CB 3.47Å; D334-Y337 PolarHBondContact O-N 2.9Å; Y337-L339 PolarHBondContact O-N 3.42Å; Y337-G340 WeakPolarHBondContact O-CA 3.39Å; Y337-G340 PolarHBondContact O-N 3.47Å; Y337-K342 WeakPolarHBondContact CD2-O 3.2Å; Y337-K342 WeakPolarHBondContact CE2-O 3.39Å
338	D	95.4	Very high	92.7	Very high	64 Å²	64	16 Å²	16	34%	0.342	10%	0.096	S	C	.	.	H	α-helix	trans	-60.4	-30.1	171.5	-81.1	-16.2	0	0	0	112.4	Y283 D334 W335 G340	Y283-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y283-D338 PolarHBondContact OH-OD1 2.92Å; Y283-D338 VanDerWaalsContact OH-OD1 3.08Å; D334-D338 PolarHBondContact O-N 3.35Å; W335-D338 PolarHBondContact O-N 3.02Å; D338-G340 PolarHBondContact O-N 2.86Å
339	L	94.8	Very high	93.5	Very high	76 Å²	76	15.4 Å²	15.4	40%	0.398	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	6	170.9	-64.4	-178.5	0	0	0	114.3	R260 I263 W335 I336 Y337	R260-L339 HydrophobicContact CG-CD1 4.2Å; I263-L339 HydrophobicContact CD1-CB 3.75Å; I263-L339 HydrophobicContact CD1-CD1 4.27Å; W335-L339 HydrophobicContact CD2-CD1 4.21Å; W335-L339 VanDerWaalsContact CE2-CD1 3.5Å; W335-L339 HydrophobicContact CH2-CD1 3.96Å; W335-L339 HydrophobicContact CZ2-CD1 3.38Å; W335-L339 WeakPolarHBondContact O-CG 3.22Å; W335-L339 PolarHBondContact O-N 2.71Å; W335-L339 VanDerWaalsContact O-N 3.16Å; I336-L339 CarbonylContact O-C 3.35Å; I336-L339 PolarHBondContact O-N 2.7Å; Y337-L339 PolarHBondContact O-N 3.42Å
340	G	95.5	Very high	94.3	Very high	57 Å²	57	16.9 Å²	16.9	59%	0.588	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.6	4.7	172.2	0	0	0	0	0	116.1	I336 Y337 D338 K342	I336-G340 PolarHBondContact O-N 3.02Å; Y337-G340 WeakPolarHBondContact O-CA 3.39Å; Y337-G340 PolarHBondContact O-N 3.47Å; D338-G340 PolarHBondContact O-N 2.86Å; G340-K342 VanDerWaalsContact C-N 3.3Å; G340-K342 PolarHBondContact O-N 3.09Å
341	I	97.5	Very high	95.2	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.046	10%	0.1	C	C	.	.			trans	-79.9	82.7	172.7	-57.1	-55.5	0	0	0	109.2	I263 I266 I336 Y343	I263-I341 HydrophobicContact CD1-CG1 4.49Å; I263-I341 HydrophobicContact CG1-CD1 3.91Å; I263-I341 HydrophobicContact CG1-CG1 4.15Å; I266-I341 HydrophobicContact CB-CD1 4.29Å; I266-I341 HydrophobicContact CG2-CD1 4.08Å; I266-I341 HydrophobicContact CG2-CG1 4.26Å; I266-I341 HydrophobicContact CG2-CG2 4.22Å; I266-I341 WeakPolarHBondContact O-CD1 3.38Å; I336-I341 HydrophobicContact CD1-CB 4.24Å; I336-I341 HydrophobicContact CD1-CG1 3.86Å; I336-I341 HydrophobicContact CD1-CG2 4.46Å; I336-I341 HydrophobicContact CG1-CB 3.99Å; I336-I341 HydrophobicContact CG1-CG1 3.7Å; I336-I341 HydrophobicContact CG2-CB 4.28Å; I336-I341 WeakPolarHBondContact O-CB 3.13Å; I336-I341 PolarHBondContact O-N 3.11Å; I341-Y343 VanDerWaalsContact C-N 3.32Å; I341-Y343 PolarHBondContact O-N 3.07Å
342	K	97.8	Very high	95.7	Very high	57 Å²	57	21.4 Å²	21.4	25%	0.248	12%	0.123	C	C	.	.			trans	-45.1	-50.1	-176.1	176.3	176.3	174.3	173.7	0	113.8	D292 E295 L296 Y337 G340 S344	D292-K342 HydrophobicContact CB-CD 4.43Å; D292-K342 HydrophobicContact CB-CG 4.17Å; D292-K342 WeakPolarHBondContact OD1-CD 3.49Å; D292-K342 WeakPolarHBondContact OD1-CE 3.49Å; D292-K342 IonicContact OD1-NZ 3.08Å; D292-K342 PolarHBondContact OD1-NZ 2.87Å; E295-K342 VanDerWaalsContact CD-CE 3.46Å; E295-K342 WeakPolarHBondContact OE1-CE 3.47Å; E295-K342 IonicContact OE1-NZ 2.7Å; E295-K342 PolarHBondContact OE1-NZ 2.89Å; E295-K342 WeakPolarHBondContact OE2-CE 3.17Å; E295-K342 IonicContact OE2-NZ 3.37Å; E295-K342 PolarHBondContact OE2-NZ 2.95Å; L296-K342 WeakPolarHBondContact CD2-O 3.23Å; Y337-K342 WeakPolarHBondContact CD2-O 3.2Å; Y337-K342 WeakPolarHBondContact CE2-O 3.39Å; G340-K342 VanDerWaalsContact C-N 3.3Å; G340-K342 PolarHBondContact O-N 3.09Å; K342-S344 VanDerWaalsContact C-N 3.3Å; K342-S344 PolarHBondContact O-N 2.91Å
343	Y	98.3	Very high	96	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	74.5	-176.1	-62.2	-62.6	0	0	0	111	A268 Y269 E295 L296 V299 I341 F345 V382 N385 V386	A268-Y343 CarbonylContact C-O 3.55Å; A268-Y343 WeakPolarHBondContact CA-O 3.38Å; A268-Y343 VanDerWaalsContact CB-O 3.3Å; A268-Y343 WeakPolarHBondContact CB-O 3.38Å; Y269-Y343 PolarHBondContact N-O 2.75Å; E295-Y343 WeakPolarHBondContact OE1-CE1 3.45Å; E295-Y343 VanDerWaalsContact OE1-CZ 3.28Å; E295-Y343 PolarHBondContact OE1-OH 2.85Å; L296-Y343 HydrophobicContact CD2-CD1 4.22Å; V299-Y343 HydrophobicContact CG2-CE1 4.5Å; I341-Y343 VanDerWaalsContact C-N 3.32Å; I341-Y343 PolarHBondContact O-N 3.07Å; Y343-F345 HydrophobicContact CD1-CE2 4.46Å; Y343-V382 HydrophobicContact CD2-CB 4.4Å; Y343-V382 HydrophobicContact CD2-CG1 4.36Å; Y343-V382 HydrophobicContact CD2-CG2 3.83Å; Y343-V382 HydrophobicContact CG-CG2 3.9Å; Y343-N385 HydrophobicContact CE2-CB 4.39Å; Y343-N385 VanDerWaalsContact OH-CB 3.26Å; Y343-N385 WeakPolarHBondContact OH-CB 3.23Å; Y343-V386 HydrophobicContact CD2-CG1 4.23Å; Y343-V386 HydrophobicContact CE2-CG1 3.79Å
344	S	97.8	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.1	177.8	-166.7	0	0	0	0	110.9	Y269 P282 D333 K342	Y269-S344 WeakPolarHBondContact O-CA 3.38Å; P282-S344 WeakPolarHBondContact CD-O 3.33Å; D333-S344 VanDerWaalsContact C-OG 3.26Å; D333-S344 WeakPolarHBondContact CA-OG 3.27Å; D333-S344 WeakPolarHBondContact O-CB 3.47Å; D333-S344 PolarHBondContact O-OG 3.31Å; K342-S344 VanDerWaalsContact C-N 3.3Å; K342-S344 PolarHBondContact O-N 2.91Å
345	F	97.7	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.4	-175.7	-64.1	-82.8	0	0	0	112.1	Y269 I270 S271 I279 F281 L296 V299 A300 Y343 I378	Y269-F345 PolarHBondContact O-N 3.27Å; I270-F345 CarbonylContact C-O 3.4Å; I270-F345 WeakPolarHBondContact CA-O 3.19Å; I270-F345 HydrophobicContact CG2-CB 4.02Å; S271-F345 PolarHBondContact N-O 3Å; I279-F345 HydrophobicContact CG2-CD1 4.26Å; F281-F345 HydrophobicContact CB-CD1 3.88Å; F281-F345 HydrophobicContact CB-CE1 4.06Å; L296-F345 HydrophobicContact CB-CE1 4.28Å; L296-F345 HydrophobicContact CB-CZ 4.45Å; L296-F345 HydrophobicContact CD2-CE1 4.13Å; L296-F345 HydrophobicContact CD2-CE2 4.19Å; L296-F345 HydrophobicContact CD2-CZ 3.58Å; V299-F345 HydrophobicContact CB-CE1 4.22Å; V299-F345 HydrophobicContact CB-CZ 3.68Å; V299-F345 HydrophobicContact CG1-CE1 4.02Å; V299-F345 HydrophobicContact CG1-CE2 3.87Å; V299-F345 HydrophobicContact CG1-CZ 3.35Å; V299-F345 HydrophobicContact CG2-CZ 4.47Å; A300-F345 HydrophobicContact CB-CE1 4.45Å; Y343-F345 HydrophobicContact CD1-CE2 4.46Å; F345-I378 HydrophobicContact CD2-CD1 4.3Å; F345-I378 HydrophobicContact CD2-CG2 4.04Å; F345-I378 HydrophobicContact CE2-CG2 3.95Å; F345-I378 HydrophobicContact CG-CD1 4.38Å
346	T	96.5	Very high	96.3	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.049	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	98	169.4	-78.7	0	0	0	0	109.4	S271 H273 V280 D333	S271-T346 CarbonylContact O-C 3.38Å; S271-T346 WeakPolarHBondContact O-CA 3.45Å; H273-T346 VanDerWaalsContact CD2-CG2 3.49Å; H273-T346 WeakPolarHBondContact CD2-CG2 3.21Å; V280-T346 WeakPolarHBondContact CA-O 3.29Å; V280-T346 HydrophobicContact CB-CG2 4.05Å; V280-T346 VanDerWaalsContact CB-O 3.26Å; V280-T346 WeakPolarHBondContact CB-O 3.01Å; V280-T346 HydrophobicContact CG2-CG2 4.42Å; V280-T346 PolarHBondContact N-O 3.24Å; V280-T346 PolarHBondContact O-N 3.07Å; D333-T346 WeakPolarHBondContact CB-OG1 3.38Å; D333-T346 WeakPolarHBondContact OD2-CB 3.45Å; D333-T346 PolarHBondContact OD2-OG1 2.93Å
347	I	97.4	Very high	96	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	151.3	175.1	-63.3	173.3	0	0	0	108.6	R199 I270 S271 M272 H273 H278 I279 Y316 A374 I378	R199-I347 VanDerWaalsContact NH1-CG2 3.31Å; R199-I347 PolarHBondContact NH1-O 3.22Å; R199-I347 PolarHBondContact NH2-O 2.88Å; I270-I347 HydrophobicContact CG2-CD1 4.35Å; S271-I347 PolarHBondContact O-N 2.98Å; M272-I347 HydrophobicContact CE-CD1 4.29Å; M272-I347 HydrophobicContact SD-CB 3.84Å; M272-I347 HydrophobicContact SD-CD1 4.16Å; M272-I347 HydrophobicContact SD-CG1 4.22Å; H273-I347 PolarHBondContact N-O 2.82Å; H278-I347 CarbonylContact O-C 3.53Å; I279-I347 HydrophobicContact CB-CG1 4.32Å; I279-I347 HydrophobicContact CD1-CD1 4.16Å; I279-I347 HydrophobicContact CD1-CG1 4.04Å; I279-I347 HydrophobicContact CG1-CB 4.45Å; I279-I347 HydrophobicContact CG1-CG1 3.89Å; I279-I347 HydrophobicContact CG1-CG2 4.26Å; I279-I347 HydrophobicContact CG2-CG1 3.89Å; Y316-I347 HydrophobicContact CE1-CG2 4.41Å; I347-A374 HydrophobicContact CD1-CB 4.17Å; I347-I378 HydrophobicContact CD1-CD1 4.04Å
348	E	96.4	Very high	95.7	Very high	19 Å²	19	28 Å²	28	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.9	171	-75.5	-70.2	-177.1	0	0	109.9	H273 S274 S276 Q277 H278 Y316 L325	H273-E348 WeakPolarHBondContact CB-OE2 3.4Å; H273-E348 IonicContact CD2-OE1 3.64Å; H273-E348 IonicContact CG-OE1 2.7Å; S274-E348 WeakPolarHBondContact CA-OE2 3.39Å; S274-E348 PolarHBondContact N-OE2 2.95Å; S276-E348 VanDerWaalsContact OG-CB 3.26Å; S276-E348 WeakPolarHBondContact OG-CB 3.39Å; Q277-E348 CarbonylContact C-O 3.57Å; Q277-E348 VanDerWaalsContact CA-O 3.29Å; Q277-E348 WeakPolarHBondContact CA-O 3.38Å; H278-E348 HydrophobicContact CB-CB 3.79Å; H278-E348 HydrophobicContact CB-CG 4.31Å; H278-E348 PolarHBondContact N-O 3.34Å; H278-E348 PolarHBondContact O-N 3.46Å; H278-E348 VanDerWaalsContact O-O 3.11Å; Y316-E348 WeakPolarHBondContact CD1-O 3.38Å; Y316-E348 WeakPolarHBondContact CE1-O 3.37Å; L325-E348 HydrophobicContact CD1-CG 4.44Å
349	L	98.1	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.			trans	-94.6	-177.4	-169.5	-85.3	178.3	0	0	0	115	I186 R199 M200 Y275 S276 Q277 Y316 T367 A371	I186-L349 HydrophobicContact CG1-CD1 4.14Å; R199-L349 VanDerWaalsContact CD-CD1 3.46Å; R199-L349 VanDerWaalsContact NH2-N 3.17Å; M200-L349 HydrophobicContact CE-CD1 3.01Å; M200-L349 HydrophobicContact CE-CG 4.39Å; M200-L349 HydrophobicContact SD-CD1 3.68Å; Y275-L349 CarbonylContact C-O 3.57Å; Y275-L349 WeakPolarHBondContact CA-O 3.5Å; S276-L349 PolarHBondContact N-O 3.19Å; Q277-L349 PolarHBondContact N-O 2.9Å; Y316-L349 HydrophobicContact CE1-CD2 3.91Å; Y316-L349 WeakPolarHBondContact OH-CD2 3.4Å; L349-T367 HydrophobicContact CB-CG2 4.15Å; L349-T367 HydrophobicContact CD1-CG2 3.54Å; L349-T367 HydrophobicContact CD2-CG2 3.68Å; L349-T367 HydrophobicContact CG-CG2 3.96Å; L349-A371 HydrophobicContact CD2-CB 3.79Å
350	R	97.7	Very high	95.8	Very high	32 Å²	32	22.2 Å²	22.2	12%	0.121	13%	0.129	C	C	.	.	S	Bend	trans	-46.5	154.2	160.3	-57.3	-154.1	-168.1	-155.7	-1	114.2	Q277 S311 T314 Y316 L359 T367 E370	Q277-R350 HydrophobicContact CG-CG 4.29Å; S311-R350 PolarHBondContact OG-NH2 2.87Å; T314-R350 HydrophobicContact CG2-CG 4.39Å; T314-R350 VanDerWaalsContact OG1-CZ 3.27Å; T314-R350 PolarHBondContact OG1-NH2 2.83Å; Y316-R350 PolarHBondContact OH-N 2.85Å; R350-L359 HydrophobicContact CB-CD2 4.26Å; R350-T367 HydrophobicContact CB-CG2 4.09Å; R350-T367 VanDerWaalsContact CD-OG1 3.23Å; R350-T367 WeakPolarHBondContact CD-OG1 3.25Å; R350-T367 HydrophobicContact CG-CG2 3.95Å; R350-E370 WeakPolarHBondContact CG-OE1 3.34Å; R350-E370 IonicContact CZ-OE1 2.64Å; R350-E370 IonicContact CZ-OE2 3.52Å; R350-E370 IonicContact NE-OE1 3.35Å; R350-E370 PolarHBondContact NE-OE1 2.91Å; R350-E370 IonicContact NE-OE2 3.62Å; R350-E370 PolarHBondContact NE-OE2 3.19Å; R350-E370 IonicContact NH2-OE1 3.75Å; R350-E370 IonicContact NH2-OE2 3.94Å; R350-E370 PolarHBondContact NH2-OE2 3.29Å
351	D	97.3	Very high	95.7	Very high	17 Å²	17	21.1 Å²	21.1	9%	0.091	11%	0.109	C	C	.	.			cis	-92.1	-150.1	-14.2	65.4	27.9	0	0	0	111.1	S276 G353 T354 Y355 G356 L359	S276-D351 WeakPolarHBondContact CA-O 3.11Å; S276-D351 PolarHBondContact N-O 3.17Å; S276-D351 VanDerWaalsContact N-O 3.16Å; D351-G353 WeakPolarHBondContact OD1-CA 3.31Å; D351-G353 PolarHBondContact OD1-N 2.81Å; D351-T354 PolarHBondContact OD1-N 3.01Å; D351-T354 WeakPolarHBondContact OD2-CB 3.47Å; D351-Y355 PolarHBondContact OD1-N 3.43Å; D351-Y355 WeakPolarHBondContact OD2-CB 3.27Å; D351-Y355 WeakPolarHBondContact OD2-CD2 3.45Å; D351-Y355 PolarHBondContact OD2-N 3.2Å; D351-G356 PolarHBondContact OD1-N 3.06Å; D351-L359 HydrophobicContact CB-CD1 4.18Å
352	T	96.1	Very high	95.6	Very high	78 Å²	78	27.9 Å²	27.9	48%	0.479	13%	0.134	S	C	.	.	S	Bend	trans	-105.3	16.7	176.9	54.4	0	0	0	0	112	Q277	Q277-T352 HydrophobicContact CB-CG2 4.47Å; Q277-T352 HydrophobicContact CG-CG2 4.27Å
353	G	92.8	Very high	95.6	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	14%	0.135	C	C	.	.	S	Bend	trans	108.4	14.7	-177.8	0	0	0	0	0	115.4	L94 D351	L94-G353 WeakPolarHBondContact CD1-O 3.42Å; L94-G353 WeakPolarHBondContact CD2-O 3.41Å; D351-G353 WeakPolarHBondContact OD1-CA 3.31Å; D351-G353 PolarHBondContact OD1-N 2.81Å
354	T	95.6	Very high	95.5	Very high	76 Å²	76	28.1 Å²	28.1	47%	0.466	13%	0.134	S	C	.	.	S	Bend	trans	-74.9	-50	174.2	-55	0	0	0	0	110.1	L95 D351	L95-T354 WeakPolarHBondContact CD2-O 3.31Å; D351-T354 PolarHBondContact OD1-N 3.01Å; D351-T354 WeakPolarHBondContact OD2-CB 3.47Å
355	Y	94.6	Very high	95.1	Very high	56 Å²	56	32.6 Å²	32.6	22%	0.22	15%	0.153	C	C	.	.	S	Bend	trans	-112	-22.2	170	-61.3	-75.8	0	0	0	112	W54 L95 D351 F357 L358 L359 P360 R362 Y363	W54-Y355 WeakPolarHBondContact CH2-O 3.26Å; W54-Y355 VanDerWaalsContact CZ3-O 3.22Å; W54-Y355 WeakPolarHBondContact CZ3-O 3.28Å; L95-Y355 HydrophobicContact CD2-CD1 3.62Å; L95-Y355 HydrophobicContact CD2-CE1 4.06Å; D351-Y355 PolarHBondContact OD1-N 3.43Å; D351-Y355 WeakPolarHBondContact OD2-CB 3.27Å; D351-Y355 WeakPolarHBondContact OD2-CD2 3.45Å; D351-Y355 PolarHBondContact OD2-N 3.2Å; Y355-F357 PolarHBondContact O-N 3.12Å; Y355-F357 VanDerWaalsContact O-N 3.08Å; Y355-L358 PolarHBondContact O-N 3.32Å; Y355-L359 HydrophobicContact CD2-CD1 4.5Å; Y355-P360 HydrophobicContact CD1-CG 3.71Å; Y355-P360 HydrophobicContact CD2-CG 4.23Å; Y355-P360 HydrophobicContact CE1-CG 3.78Å; Y355-P360 HydrophobicContact CE2-CG 4.26Å; Y355-P360 HydrophobicContact CG-CG 3.97Å; Y355-R362 PolarHBondContact OH-NH2 3.05Å; Y355-Y363 AromaticContact CD2-CE2 3.95Å; Y355-Y363 HydrophobicContact CD2-CE2 3.95Å; Y355-Y363 AromaticContact CE2-CE2 3.73Å; Y355-Y363 HydrophobicContact CE2-CE2 3.73Å
356	G	93.6	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-112.4	178.4	0	0	0	0	0	112.2	D351	D351-G356 PolarHBondContact OD1-N 3.06Å
357	F	87.7	Confident	95.1	Very high	11 Å²	11	34 Å²	34	5%	0.048	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-36.6	177.5	-68.1	-49.1	0	0	0	113.6	W54 R183 E184 S274 Y275 Y355 L359	W54-F357 HydrophobicContact CB-CD2 4.23Å; W54-F357 HydrophobicContact CB-CE2 3.8Å; W54-F357 AromaticContact CD1-CD2 3.99Å; W54-F357 AromaticContact CD2-CD2 3.44Å; W54-F357 HydrophobicContact CD2-CD2 3.44Å; W54-F357 VanDerWaalsContact CD2-CD2 3.44Å; W54-F357 AromaticContact CD2-CE2 3.96Å; W54-F357 HydrophobicContact CD2-CE2 3.96Å; W54-F357 HydrophobicContact CD2-CG 4.47Å; W54-F357 AromaticContact CE2-CD2 3.66Å; W54-F357 AromaticContact CE3-CD2 3.83Å; W54-F357 HydrophobicContact CE3-CD2 3.83Å; W54-F357 HydrophobicContact CE3-CE2 4.45Å; W54-F357 AromaticContact CG-CD2 3.66Å; W54-F357 HydrophobicContact CG-CD2 3.66Å; W54-F357 AromaticContact CG-CE2 3.67Å; W54-F357 HydrophobicContact CG-CE2 3.67Å; W54-F357 HydrophobicContact CH2-CB 3.99Å; W54-F357 HydrophobicContact CH2-CD2 4.47Å; W54-F357 HydrophobicContact CZ2-CB 4.12Å; W54-F357 HydrophobicContact CZ2-CD2 4.16Å; W54-F357 HydrophobicContact CZ3-CB 4.24Å; W54-F357 HydrophobicContact CZ3-CD2 4.33Å; W54-F357 AromaticContact NE1-CD2 3.99Å; R183-F357 HydrophobicContact CG-CD1 4.3Å; R183-F357 HydrophobicContact CG-CD2 4.34Å; R183-F357 HydrophobicContact CG-CE1 4.46Å; R183-F357 HydrophobicContact CG-CG 4.27Å; R183-F357 VanDerWaalsContact CZ-CE2 3.5Å; R183-F357 VanDerWaalsContact O-CB 3.22Å; R183-F357 WeakPolarHBondContact O-CB 3.21Å; E184-F357 HydrophobicContact CG-CD1 3.71Å; E184-F357 HydrophobicContact CG-CE1 3.61Å; S274-F357 WeakPolarHBondContact O-CE1 3.44Å; Y275-F357 AromaticContact CD1-CD1 3.98Å; Y275-F357 HydrophobicContact CD1-CD1 3.98Å; Y275-F357 HydrophobicContact CD1-CD2 4.49Å; Y275-F357 AromaticContact CD1-CE1 3.89Å; Y275-F357 HydrophobicContact CD1-CE1 3.89Å; Y275-F357 HydrophobicContact CD1-CE2 4.39Å; Y275-F357 HydrophobicContact CD1-CG 4.27Å; Y275-F357 HydrophobicContact CD1-CZ 4.08Å; Y275-F357 HydrophobicContact CE1-CD1 4.38Å; Y275-F357 HydrophobicContact CE1-CD2 4.11Å; Y275-F357 HydrophobicContact CE1-CE1 4.18Å; Y275-F357 AromaticContact CE1-CE2 3.88Å; Y275-F357 HydrophobicContact CE1-CE2 3.88Å; Y275-F357 HydrophobicContact CE1-CG 4.33Å; Y275-F357 AromaticContact CE1-CZ 3.9Å; Y275-F357 HydrophobicContact CE1-CZ 3.9Å; Y355-F357 PolarHBondContact O-N 3.12Å; Y355-F357 VanDerWaalsContact O-N 3.08Å; F357-L359 PolarHBondContact O-N 3.38Å
358	L	90.4	Very high	94.9	Very high	18 Å²	18	34 Å²	34	9%	0.094	16%	0.162	C	C	.	.	S	Bend	trans	-84.7	41.6	-178.2	-62.7	172	0	0	0	111.7	W54 L95 V98 I102 Q105 Y355 P360	W54-L358 HydrophobicContact CH2-CB 4.23Å; W54-L358 HydrophobicContact CH2-CD1 3.92Å; W54-L358 HydrophobicContact CH2-CG 3.83Å; W54-L358 HydrophobicContact CZ2-CD1 4.05Å; W54-L358 HydrophobicContact CZ2-CG 4.12Å; L95-L358 HydrophobicContact CD1-CB 4.05Å; L95-L358 HydrophobicContact CD1-CD1 3.86Å; L95-L358 HydrophobicContact CD1-CG 4.49Å; V98-L358 HydrophobicContact CG1-CD1 3.83Å; V98-L358 HydrophobicContact CG2-CD1 4.37Å; I102-L358 HydrophobicContact CG1-CD2 3.75Å; Q105-L358 VanDerWaalsContact OE1-CD2 3.3Å; Y355-L358 PolarHBondContact O-N 3.32Å; L358-P360 VanDerWaalsContact O-CD 3.23Å; L358-P360 WeakPolarHBondContact O-CD 3.43Å
359	L	95.5	Very high	94.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.182	C	C	.	.			trans	-63.4	119.9	-175.5	-171.5	70.6	0	0	0	110.9	Q105 Y123 I186 R350 D351 Y355 F357 Y363	Q105-L359 PolarHBondContact NE2-O 3.48Å; Y123-L359 VanDerWaalsContact CE2-O 3.27Å; Y123-L359 WeakPolarHBondContact CE2-O 3.42Å; Y123-L359 PolarHBondContact OH-O 2.97Å; I186-L359 HydrophobicContact CB-CD2 3.89Å; I186-L359 HydrophobicContact CD1-CD2 3.92Å; I186-L359 HydrophobicContact CG1-CD2 3.67Å; I186-L359 HydrophobicContact CG2-CD2 4.44Å; R350-L359 HydrophobicContact CB-CD2 4.26Å; D351-L359 HydrophobicContact CB-CD1 4.18Å; Y355-L359 HydrophobicContact CD2-CD1 4.5Å; F357-L359 PolarHBondContact O-N 3.38Å; L359-Y363 HydrophobicContact CD1-CD2 3.74Å; L359-Y363 HydrophobicContact CD1-CG 4.07Å; L359-Y363 HydrophobicContact CG-CD2 4.13Å; L359-Y363 HydrophobicContact CG-CG 4.39Å
360	P	96.9	Very high	94.5	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.104	18%	0.182	C	C	.	.			trans	-62.7	145	-178.2	-28.5	36.5	0	0	0	114.1	Y355 L358 R362 Y363	Y355-P360 HydrophobicContact CD1-CG 3.71Å; Y355-P360 HydrophobicContact CD2-CG 4.23Å; Y355-P360 HydrophobicContact CE1-CG 3.78Å; Y355-P360 HydrophobicContact CE2-CG 4.26Å; Y355-P360 HydrophobicContact CG-CG 3.97Å; L358-P360 VanDerWaalsContact O-CD 3.23Å; L358-P360 WeakPolarHBondContact O-CD 3.43Å; P360-R362 HydrophobicContact CB-CG 4.17Å; P360-R362 PolarHBondContact O-N 2.75Å; P360-Y363 HydrophobicContact CB-CD2 4.06Å; P360-Y363 HydrophobicContact CB-CE2 4.16Å; P360-Y363 HydrophobicContact CG-CD2 4.28Å; P360-Y363 HydrophobicContact CG-CE2 4.1Å; P360-Y363 WeakPolarHBondContact O-CB 3.39Å; P360-Y363 WeakPolarHBondContact O-CD2 3.36Å; P360-Y363 PolarHBondContact O-N 2.85Å
361	E	93.3	Very high	94.4	Very high	35 Å²	35	38 Å²	38	16%	0.164	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35.7	-173.7	-66.5	-170.4	133.5	0	0	114.5	N108 Q122 Y123 Y363 I364	N108-E361 PolarHBondContact ND2-OE2 3.3Å; Q122-E361 WeakPolarHBondContact CA-OE1 3.46Å; Q122-E361 WeakPolarHBondContact CB-OE1 3.3Å; Y123-E361 HydrophobicContact CD2-CG 3.8Å; Y123-E361 HydrophobicContact CE2-CG 3.9Å; Y123-E361 PolarHBondContact N-OE1 2.74Å; Y123-E361 VanDerWaalsContact N-OE1 3.08Å; E361-Y363 PolarHBondContact O-N 2.61Å; E361-I364 HydrophobicContact CB-CD1 4.05Å; E361-I364 HydrophobicContact CG-CD1 4.13Å; E361-I364 VanDerWaalsContact O-CB 3.3Å; E361-I364 WeakPolarHBondContact O-CB 3.31Å; E361-I364 WeakPolarHBondContact O-CG1 3.48Å; E361-I364 PolarHBondContact O-N 3.39Å
362	R	96.5	Very high	93.9	Very high	150 Å²	150	38.9 Å²	38.9	57%	0.566	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-53.5	-19.1	174	68	-177.2	-173.8	-103.2	-1.5	114.7	Y355 P360	Y355-R362 PolarHBondContact OH-NH2 3.05Å; P360-R362 HydrophobicContact CB-CG 4.17Å; P360-R362 PolarHBondContact O-N 2.75Å
363	Y	97.6	Very high	93.6	Very high	67 Å²	67	36 Å²	36	26%	0.263	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-94.6	-10.2	174.8	-58.2	-68.1	0	0	0	114.2	Y355 L359 P360 E361 P366 T367	Y355-Y363 AromaticContact CD2-CE2 3.95Å; Y355-Y363 HydrophobicContact CD2-CE2 3.95Å; Y355-Y363 AromaticContact CE2-CE2 3.73Å; Y355-Y363 HydrophobicContact CE2-CE2 3.73Å; L359-Y363 HydrophobicContact CD1-CD2 3.74Å; L359-Y363 HydrophobicContact CD1-CG 4.07Å; L359-Y363 HydrophobicContact CG-CD2 4.13Å; L359-Y363 HydrophobicContact CG-CG 4.39Å; P360-Y363 HydrophobicContact CB-CD2 4.06Å; P360-Y363 HydrophobicContact CB-CE2 4.16Å; P360-Y363 HydrophobicContact CG-CD2 4.28Å; P360-Y363 HydrophobicContact CG-CE2 4.1Å; P360-Y363 WeakPolarHBondContact O-CB 3.39Å; P360-Y363 WeakPolarHBondContact O-CD2 3.36Å; P360-Y363 PolarHBondContact O-N 2.85Å; E361-Y363 PolarHBondContact O-N 2.61Å; Y363-P366 VanDerWaalsContact O-CD 3.29Å; Y363-P366 WeakPolarHBondContact O-CD 3.49Å; Y363-P366 WeakPolarHBondContact O-CG 3.48Å; Y363-T367 WeakPolarHBondContact O-CB 3.38Å; Y363-T367 PolarHBondContact O-N 3.33Å; Y363-T367 VanDerWaalsContact O-N 3.09Å; Y363-T367 PolarHBondContact O-OG1 2.91Å
364	I	95.2	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-60.6	176.6	-64.7	168.3	0	0	0	109.2	Y120 Y123 I186 A189 E361 T367 C368	Y120-I364 WeakPolarHBondContact O-CG2 3.45Å; Y123-I364 HydrophobicContact CD1-CD1 3.9Å; Y123-I364 HydrophobicContact CD2-CD1 4.35Å; Y123-I364 HydrophobicContact CE1-CD1 3.48Å; Y123-I364 VanDerWaalsContact CE1-CD1 3.48Å; Y123-I364 HydrophobicContact CE1-CG1 3.82Å; Y123-I364 HydrophobicContact CE2-CD1 4.04Å; Y123-I364 HydrophobicContact CG-CD1 4.29Å; I186-I364 HydrophobicContact CD1-CB 4.25Å; I186-I364 HydrophobicContact CD1-CG1 3.92Å; I186-I364 HydrophobicContact CD1-CG2 4.49Å; A189-I364 HydrophobicContact CB-CD1 4.08Å; A189-I364 HydrophobicContact CB-CG1 4.25Å; A189-I364 HydrophobicContact CB-CG2 3.94Å; E361-I364 HydrophobicContact CB-CD1 4.05Å; E361-I364 HydrophobicContact CG-CD1 4.13Å; E361-I364 VanDerWaalsContact O-CB 3.3Å; E361-I364 WeakPolarHBondContact O-CB 3.31Å; E361-I364 WeakPolarHBondContact O-CG1 3.48Å; E361-I364 PolarHBondContact O-N 3.39Å; I364-T367 PolarHBondContact O-N 2.72Å; I364-C368 VanDerWaalsContact O-CB 3.29Å; I364-C368 WeakPolarHBondContact O-CB 3.35Å; I364-C368 PolarHBondContact O-N 3.32Å; I364-C368 PolarHBondContact O-SG 3.01Å
365	K	90.9	Very high	93.6	Very high	94 Å²	94	32.5 Å²	32.5	41%	0.409	14%	0.142	S	C	.	.	H	α-helix	trans	-48.5	-55.1	-179.6	-166.9	-161.9	-152.8	112.1	0	114.4	E121 W193 R369	E121-K365 HydrophobicContact CG-CB 3.99Å; E121-K365 HydrophobicContact CG-CG 4.25Å; E121-K365 WeakPolarHBondContact OE1-CE 3.49Å; E121-K365 IonicContact OE1-NZ 3.54Å; E121-K365 PolarHBondContact OE1-NZ 2.77Å; E121-K365 WeakPolarHBondContact OE2-CD 3.28Å; E121-K365 IonicContact OE2-NZ 3.04Å; E121-K365 PolarHBondContact OE2-NZ 2.91Å; W193-K365 HydrophobicContact CZ2-CG 4.35Å; K365-R369 WeakPolarHBondContact O-CB 3.36Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.36Å
366	P	96.3	Very high	92.9	Very high	39 Å²	39	30.5 Å²	30.5	25%	0.253	14%	0.136	S	C	.	.	H	α-helix	trans	-67.5	-39.4	179.5	25.6	-34.5	0	0	0	113.3	Y363 C368 R369 E370	Y363-P366 VanDerWaalsContact O-CD 3.29Å; Y363-P366 WeakPolarHBondContact O-CD 3.49Å; Y363-P366 WeakPolarHBondContact O-CG 3.48Å; P366-C368 VanDerWaalsContact C-N 3.34Å; P366-C368 PolarHBondContact O-N 2.98Å; P366-R369 PolarHBondContact O-N 3.14Å; P366-E370 PolarHBondContact O-N 3.14Å
367	T	97.6	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-38.6	178.5	-54.4	0	0	0	0	111.7	I186 L349 R350 Y363 I364 E370 A371	I186-T367 HydrophobicContact CD1-CG2 4.03Å; I186-T367 HydrophobicContact CG1-CG2 3.92Å; L349-T367 HydrophobicContact CB-CG2 4.15Å; L349-T367 HydrophobicContact CD1-CG2 3.54Å; L349-T367 HydrophobicContact CD2-CG2 3.68Å; L349-T367 HydrophobicContact CG-CG2 3.96Å; R350-T367 HydrophobicContact CB-CG2 4.09Å; R350-T367 VanDerWaalsContact CD-OG1 3.23Å; R350-T367 WeakPolarHBondContact CD-OG1 3.25Å; R350-T367 HydrophobicContact CG-CG2 3.95Å; Y363-T367 WeakPolarHBondContact O-CB 3.38Å; Y363-T367 PolarHBondContact O-N 3.33Å; Y363-T367 VanDerWaalsContact O-N 3.09Å; Y363-T367 PolarHBondContact O-OG1 2.91Å; I364-T367 PolarHBondContact O-N 2.72Å; T367-E370 WeakPolarHBondContact O-CG 3.42Å; T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.16Å
368	C	93.3	Very high	93.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-42.2	175.5	-65.3	0	0	0	0	111.8	F190 W193 I364 P366 A371 F372	F190-C368 VanDerWaalsContact CA-SG 3.56Å; F190-C368 HydrophobicContact CB-CB 4.46Å; F190-C368 WeakPolarHBondContact CB-SG 3.49Å; F190-C368 VanDerWaalsContact CD2-CA 3.43Å; F190-C368 HydrophobicContact CD2-CB 3.29Å; F190-C368 WeakPolarHBondContact CD2-SG 3.35Å; F190-C368 HydrophobicContact CE2-CB 3.79Å; F190-C368 WeakPolarHBondContact CE2-O 3.43Å; F190-C368 HydrophobicContact CG-CB 4Å; F190-C368 VanDerWaalsContact CZ-O 3.32Å; F190-C368 WeakPolarHBondContact CZ-O 3.35Å; W193-C368 HydrophobicContact CD2-CB 3.37Å; W193-C368 HydrophobicContact CE3-CB 3.5Å; W193-C368 HydrophobicContact CG-CB 3.85Å; W193-C368 HydrophobicContact CH2-CB 4.24Å; W193-C368 HydrophobicContact CZ2-CB 4.02Å; W193-C368 HydrophobicContact CZ3-CB 3.97Å; I364-C368 VanDerWaalsContact O-CB 3.29Å; I364-C368 WeakPolarHBondContact O-CB 3.35Å; I364-C368 PolarHBondContact O-N 3.32Å; I364-C368 PolarHBondContact O-SG 3.01Å; P366-C368 VanDerWaalsContact C-N 3.34Å; P366-C368 PolarHBondContact O-N 2.98Å; C368-A371 PolarHBondContact O-N 3.08Å; C368-F372 WeakPolarHBondContact O-CB 3.2Å; C368-F372 PolarHBondContact O-N 2.77Å
369	R	88.8	Confident	92.9	Very high	134 Å²	134	32.1 Å²	32.1	51%	0.506	14%	0.144	S	C	.	.	H	α-helix	trans	-65.5	-38.8	179	-75	-176.6	70.2	-148.7	-2	113.7	W193 I310 K365 P366 A373	W193-R369 HydrophobicContact CH2-CG 3.55Å; W193-R369 HydrophobicContact CZ3-CG 3.73Å; I310-R369 HydrophobicContact CG2-CB 4.17Å; K365-R369 WeakPolarHBondContact O-CB 3.36Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.36Å; P366-R369 PolarHBondContact O-N 3.14Å; R369-A373 PolarHBondContact O-N 3.42Å
370	E	96.1	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-74	-39.8	178.4	75.6	-163.9	-170.5	0	0	111.6	I307 I310 S311 Y316 R350 P366 T367 F372 A373 A374	I307-E370 HydrophobicContact CB-CB 4.3Å; I307-E370 HydrophobicContact CG1-CB 4.18Å; I307-E370 HydrophobicContact CG1-CG 4.32Å; I307-E370 WeakPolarHBondContact CG1-O 3.08Å; I307-E370 HydrophobicContact CG2-CB 3.95Å; I307-E370 HydrophobicContact CG2-CG 4.01Å; I310-E370 HydrophobicContact CB-CB 4.38Å; I310-E370 HydrophobicContact CG2-CB 4.23Å; S311-E370 WeakPolarHBondContact CB-OE2 3.47Å; S311-E370 PolarHBondContact OG-OE2 3.04Å; Y316-E370 WeakPolarHBondContact CE2-OE1 3.39Å; Y316-E370 PolarHBondContact OH-OE1 2.88Å; R350-E370 WeakPolarHBondContact CG-OE1 3.34Å; R350-E370 IonicContact CZ-OE1 2.64Å; R350-E370 IonicContact CZ-OE2 3.52Å; R350-E370 IonicContact NE-OE1 3.35Å; R350-E370 PolarHBondContact NE-OE1 2.91Å; R350-E370 IonicContact NE-OE2 3.62Å; R350-E370 PolarHBondContact NE-OE2 3.19Å; R350-E370 IonicContact NH2-OE1 3.75Å; R350-E370 IonicContact NH2-OE2 3.94Å; R350-E370 PolarHBondContact NH2-OE2 3.29Å; P366-E370 PolarHBondContact O-N 3.14Å; T367-E370 WeakPolarHBondContact O-CG 3.42Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.5Å; E370-A373 WeakPolarHBondContact O-CB 3.49Å; E370-A373 PolarHBondContact O-N 3.18Å; E370-A374 PolarHBondContact O-N 3.42Å; E370-A374 VanDerWaalsContact O-N 3.09Å
371	A	96.1	Very high	92	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-68.6	-32.2	177.5	0	0	0	0	0	112.2	F190 L349 T367 C368 A373 A374 V375	F190-A371 HydrophobicContact CD1-CB 3.66Å; F190-A371 HydrophobicContact CE1-CB 3.16Å; F190-A371 HydrophobicContact CZ-CB 3.79Å; L349-A371 HydrophobicContact CD2-CB 3.79Å; T367-A371 WeakPolarHBondContact O-CB 3.41Å; T367-A371 PolarHBondContact O-N 2.97Å; T367-A371 VanDerWaalsContact O-N 3.16Å; C368-A371 PolarHBondContact O-N 3.08Å; A371-A373 VanDerWaalsContact C-N 3.27Å; A371-A373 PolarHBondContact O-N 3.41Å; A371-A374 WeakPolarHBondContact O-CB 3.46Å; A371-A374 PolarHBondContact O-N 2.97Å; A371-V375 WeakPolarHBondContact O-CG2 3.36Å; A371-V375 PolarHBondContact O-N 2.99Å
372	F	87.3	Confident	91.9	Very high	37 Å²	37	35.1 Å²	35.1	16%	0.162	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-36.7	168.7	-179	-122.7	0	0	0	112.6	M1 L3 F190 H197 C368 E370 S376	M1-F372 HydrophobicContact CE-CE1 4.26Å; L3-F372 HydrophobicContact CD1-CE2 4.45Å; F190-F372 HydrophobicContact CE2-CB 4.36Å; F190-F372 HydrophobicContact CZ-CB 4.09Å; F190-F372 VanDerWaalsContact CZ-N 3.3Å; H197-F372 VanDerWaalsContact CA-CD2 3.45Å; H197-F372 HydrophobicContact CB-CB 3.97Å; H197-F372 HydrophobicContact CB-CD2 3.45Å; H197-F372 VanDerWaalsContact CB-CD2 3.45Å; H197-F372 HydrophobicContact CB-CE2 4.07Å; H197-F372 HydrophobicContact CB-CG 3.84Å; H197-F372 AromaticContact CD2-CD1 3.68Å; H197-F372 AromaticContact CD2-CD2 3.7Å; H197-F372 AromaticContact CD2-CE1 3.85Å; H197-F372 AromaticContact CD2-CE2 3.86Å; H197-F372 AromaticContact CD2-CG 3.58Å; H197-F372 AromaticContact CD2-CZ 3.92Å; H197-F372 AromaticContact CG-CD2 3.96Å; H197-F372 WeakPolarHBondContact O-CD2 3.45Å; C368-F372 WeakPolarHBondContact O-CB 3.2Å; C368-F372 PolarHBondContact O-N 2.77Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.5Å; F372-S376 WeakPolarHBondContact O-CB 3.26Å; F372-S376 PolarHBondContact O-N 3.49Å; F372-S376 PolarHBondContact O-OG 3.46Å
373	A	89.2	Confident	91.1	Very high	18 Å²	18	30 Å²	30	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-36.6	177.2	0	0	0	0	0	111.6	A306 I310 R369 E370 A371 K377	A306-A373 HydrophobicContact CB-CB 4.13Å; I310-A373 HydrophobicContact CG1-CB 3.69Å; R369-A373 PolarHBondContact O-N 3.42Å; E370-A373 WeakPolarHBondContact O-CB 3.49Å; E370-A373 PolarHBondContact O-N 3.18Å; A371-A373 VanDerWaalsContact C-N 3.27Å; A371-A373 PolarHBondContact O-N 3.41Å; A373-K377 WeakPolarHBondContact O-CB 3.44Å; A373-K377 PolarHBondContact O-N 2.94Å
374	A	97.1	Very high	90.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-54	170	0	0	0	0	0	111.9	A303 I307 I347 E370 A371 S376 K377 I378	A303-A374 HydrophobicContact CB-CB 4.03Å; I307-A374 HydrophobicContact CD1-CB 3.98Å; I307-A374 HydrophobicContact CG1-CB 4.02Å; I347-A374 HydrophobicContact CD1-CB 4.17Å; E370-A374 PolarHBondContact O-N 3.42Å; E370-A374 VanDerWaalsContact O-N 3.09Å; A371-A374 WeakPolarHBondContact O-CB 3.46Å; A371-A374 PolarHBondContact O-N 2.97Å; A374-S376 PolarHBondContact O-N 3.3Å; A374-K377 PolarHBondContact O-N 3.34Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.92Å
375	V	90.9	Very high	90.7	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-46.4	177.9	169.1	0	0	0	0	111.3	I176 I270 M272 A371 K377 I378 A379	I176-V375 HydrophobicContact CD1-CG1 3.67Å; I270-V375 HydrophobicContact CD1-CG1 4.27Å; I270-V375 HydrophobicContact CD1-CG2 4.33Å; M272-V375 HydrophobicContact CE-CG2 3.43Å; M272-V375 VanDerWaalsContact CE-CG2 3.43Å; A371-V375 WeakPolarHBondContact O-CG2 3.36Å; A371-V375 PolarHBondContact O-N 2.99Å; V375-K377 VanDerWaalsContact C-N 3.29Å; V375-K377 PolarHBondContact O-N 3.45Å; V375-I378 PolarHBondContact O-N 3.47Å; V375-A379 VanDerWaalsContact O-CB 3.3Å; V375-A379 WeakPolarHBondContact O-CB 3.38Å; V375-A379 PolarHBondContact O-N 3.08Å
376	S	80.3	Confident	90.5	Very high	13 Å²	13	37.1 Å²	37.1	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-39.2	175.1	-67.4	0	0	0	0	112	F372 A374 W380	F372-S376 WeakPolarHBondContact O-CB 3.26Å; F372-S376 PolarHBondContact O-N 3.49Å; F372-S376 PolarHBondContact O-OG 3.46Å; A374-S376 PolarHBondContact O-N 3.3Å; S376-W380 WeakPolarHBondContact O-CB 3.46Å; S376-W380 PolarHBondContact O-N 3.35Å
377	K	95.3	Very high	90.2	Very high	58 Å²	58	37.1 Å²	37.1	25%	0.252	17%	0.171	S	C	.	.	H	α-helix	trans	-71.8	-39.8	-178.5	-174.9	57.9	179.1	163.5	0	111.9	E302 A306 A373 A374 V375 H381	E302-K377 HydrophobicContact CB-CD 4.47Å; E302-K377 HydrophobicContact CB-CG 3.99Å; E302-K377 WeakPolarHBondContact OE1-CE 3.49Å; E302-K377 IonicContact OE1-NZ 2.62Å; E302-K377 PolarHBondContact OE1-NZ 3.36Å; E302-K377 WeakPolarHBondContact OE2-CE 3.22Å; E302-K377 IonicContact OE2-NZ 3.62Å; E302-K377 PolarHBondContact OE2-NZ 3.04Å; E302-K377 VanDerWaalsContact OE2-NZ 3.1Å; A306-K377 HydrophobicContact CB-CB 4.09Å; A306-K377 HydrophobicContact CB-CG 4.36Å; A373-K377 WeakPolarHBondContact O-CB 3.44Å; A373-K377 PolarHBondContact O-N 2.94Å; A374-K377 PolarHBondContact O-N 3.34Å; V375-K377 VanDerWaalsContact C-N 3.29Å; V375-K377 PolarHBondContact O-N 3.45Å; K377-H381 PolarHBondContact O-N 3.17Å; K377-H381 VanDerWaalsContact O-N 3.11Å
378	I	95.6	Very high	89.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-53.2	169.9	-64.4	166	0	0	0	109.5	I270 V299 A303 F345 I347 A374 V375 W380 H381 V382	I270-I378 HydrophobicContact CD1-CD1 4.44Å; I270-I378 HydrophobicContact CD1-CG2 4.2Å; V299-I378 HydrophobicContact CG1-CB 4.44Å; V299-I378 HydrophobicContact CG1-CG1 3.89Å; V299-I378 HydrophobicContact CG1-CG2 4.43Å; A303-I378 HydrophobicContact CB-CD1 4.41Å; A303-I378 HydrophobicContact CB-CG1 4.22Å; F345-I378 HydrophobicContact CD2-CD1 4.3Å; F345-I378 HydrophobicContact CD2-CG2 4.04Å; F345-I378 HydrophobicContact CE2-CG2 3.95Å; F345-I378 HydrophobicContact CG-CD1 4.38Å; I347-I378 HydrophobicContact CD1-CD1 4.04Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.92Å; V375-I378 PolarHBondContact O-N 3.47Å; I378-W380 VanDerWaalsContact C-N 3.34Å; I378-W380 PolarHBondContact O-N 3.1Å; I378-H381 CarbonylContact O-C 3.55Å; I378-H381 WeakPolarHBondContact O-CA 3.4Å; I378-H381 WeakPolarHBondContact O-CB 3.29Å; I378-H381 PolarHBondContact O-N 3.11Å; I378-V382 HydrophobicContact CG2-CG2 4.32Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 2.89Å
379	A	80.5	Confident	89.6	Confident	5 Å²	5	41.2 Å²	41.2	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-43.7	-179.7	0	0	0	0	0	112.6	L3 I174 V375 H381 V382 I383	L3-A379 HydrophobicContact CD2-CB 4.27Å; I174-A379 HydrophobicContact CD1-CB 3.54Å; V375-A379 VanDerWaalsContact O-CB 3.3Å; V375-A379 WeakPolarHBondContact O-CB 3.38Å; V375-A379 PolarHBondContact O-N 3.08Å; A379-H381 VanDerWaalsContact C-N 3.27Å; A379-H381 PolarHBondContact O-N 3.49Å; A379-V382 WeakPolarHBondContact O-CB 3.47Å; A379-V382 PolarHBondContact O-N 3.33Å; A379-I383 VanDerWaalsContact O-CG1 3.25Å; A379-I383 WeakPolarHBondContact O-CG1 3.24Å; A379-I383 PolarHBondContact O-N 3.47Å
380	W	79.1	Confident	89.6	Confident	101 Å²	101	35.7 Å²	35.7	38%	0.383	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-29.6	173.4	-82.9	117	0	0	0	113.3	S376 I378 I383 R384	S376-W380 WeakPolarHBondContact O-CB 3.46Å; S376-W380 PolarHBondContact O-N 3.35Å; I378-W380 VanDerWaalsContact C-N 3.34Å; I378-W380 PolarHBondContact O-N 3.1Å; W380-I383 HydrophobicContact CD2-CD1 4.49Å; W380-I383 HydrophobicContact CE3-CB 4.48Å; W380-I383 HydrophobicContact CE3-CD1 4.03Å; W380-I383 HydrophobicContact CE3-CG2 4.36Å; W380-I383 HydrophobicContact CZ3-CD1 4.23Å; W380-I383 HydrophobicContact CZ3-CG2 4.33Å; W380-R384 VanDerWaalsContact C-NH1 3.28Å; W380-R384 WeakPolarHBondContact O-CG 3.28Å; W380-R384 PolarHBondContact O-NH1 2.82Å
381	H	95.9	Very high	89.2	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.06	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-43.6	173.6	-160	115.5	0	0	0	111.2	V299 E302 K377 I378 A379 I383 R384 N385	V299-H381 HydrophobicContact CG2-CB 4.33Å; E302-H381 IonicContact OE2-ND1 2.64Å; E302-H381 PolarHBondContact OE2-ND1 2.92Å; K377-H381 PolarHBondContact O-N 3.17Å; K377-H381 VanDerWaalsContact O-N 3.11Å; I378-H381 CarbonylContact O-C 3.55Å; I378-H381 WeakPolarHBondContact O-CA 3.4Å; I378-H381 WeakPolarHBondContact O-CB 3.29Å; I378-H381 PolarHBondContact O-N 3.11Å; A379-H381 VanDerWaalsContact C-N 3.27Å; A379-H381 PolarHBondContact O-N 3.49Å; H381-I383 PolarHBondContact O-N 3.34Å; H381-R384 PolarHBondContact ND1-NH2 3.05Å; H381-R384 PolarHBondContact O-N 2.96Å; H381-N385 PolarHBondContact CD2-ND2 2.81Å; H381-N385 PolarHBondContact NE2-ND2 2.78Å; H381-N385 PolarHBondContact O-ND2 3.41Å
382	V	90.4	Very high	88.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.8	-53.6	173.5	177	0	0	0	0	110.1	I174 K267 A268 Y343 I378 A379 R384 N385 V386	I174-V382 HydrophobicContact CD1-CB 4.41Å; I174-V382 HydrophobicContact CD1-CG1 4.46Å; I174-V382 HydrophobicContact CD1-CG2 4.42Å; K267-V382 HydrophobicContact CB-CG1 3.85Å; A268-V382 HydrophobicContact CB-CG1 4.39Å; A268-V382 HydrophobicContact CB-CG2 3.62Å; Y343-V382 HydrophobicContact CD2-CB 4.4Å; Y343-V382 HydrophobicContact CD2-CG1 4.36Å; Y343-V382 HydrophobicContact CD2-CG2 3.83Å; Y343-V382 HydrophobicContact CG-CG2 3.9Å; I378-V382 HydrophobicContact CG2-CG2 4.32Å; I378-V382 WeakPolarHBondContact O-CG2 3.46Å; I378-V382 PolarHBondContact O-N 2.89Å; A379-V382 WeakPolarHBondContact O-CB 3.47Å; A379-V382 PolarHBondContact O-N 3.33Å; V382-R384 PolarHBondContact O-N 2.94Å; V382-N385 PolarHBondContact O-N 3.5Å; V382-V386 HydrophobicContact CG1-CG1 4.07Å; V382-V386 HydrophobicContact CG1-CG2 3.83Å; V382-V386 VanDerWaalsContact O-CG2 3.28Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 3.37Å
383	I	79.3	Confident	88.9	Confident	43 Å²	43	40.6 Å²	40.6	22%	0.221	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.1	-178.9	-68.2	168.4	0	0	0	114	L6 A379 W380 H381	L6-I383 HydrophobicContact CD1-CD1 3.79Å; L6-I383 HydrophobicContact CD1-CG1 3.5Å; L6-I383 VanDerWaalsContact CD1-CG1 3.5Å; L6-I383 HydrophobicContact CD2-CG1 4.37Å; L6-I383 HydrophobicContact CG-CD1 4.1Å; L6-I383 HydrophobicContact CG-CG1 3.86Å; A379-I383 VanDerWaalsContact O-CG1 3.25Å; A379-I383 WeakPolarHBondContact O-CG1 3.24Å; A379-I383 PolarHBondContact O-N 3.47Å; W380-I383 HydrophobicContact CD2-CD1 4.49Å; W380-I383 HydrophobicContact CE3-CB 4.48Å; W380-I383 HydrophobicContact CE3-CD1 4.03Å; W380-I383 HydrophobicContact CE3-CG2 4.36Å; W380-I383 HydrophobicContact CZ3-CD1 4.23Å; W380-I383 HydrophobicContact CZ3-CG2 4.33Å; H381-I383 PolarHBondContact O-N 3.34Å
384	R	90.9	Very high	88.9	Confident	136 Å²	136	42.4 Å²	42.4	51%	0.513	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.6	-179.9	-67.4	-171.5	-50.7	-86.5	0.5	114.5	E302 W380 H381 V382	E302-R384 IonicContact OE2-NH2 3.23Å; W380-R384 VanDerWaalsContact C-NH1 3.28Å; W380-R384 WeakPolarHBondContact O-CG 3.28Å; W380-R384 PolarHBondContact O-NH1 2.82Å; H381-R384 PolarHBondContact ND1-NH2 3.05Å; H381-R384 PolarHBondContact O-N 2.96Å; V382-R384 PolarHBondContact O-N 2.94Å
385	N	93.1	Very high	88.2	Confident	88 Å²	88	45.9 Å²	45.9	47%	0.471	22%	0.217	S	C	.	.			trans	-136	14.4	-166.3	-62.8	-76.8	0	0	0	113.9	Y343 H381 V382	Y343-N385 HydrophobicContact CE2-CB 4.39Å; Y343-N385 VanDerWaalsContact OH-CB 3.26Å; Y343-N385 WeakPolarHBondContact OH-CB 3.23Å; H381-N385 PolarHBondContact CD2-ND2 2.81Å; H381-N385 PolarHBondContact NE2-ND2 2.78Å; H381-N385 PolarHBondContact O-ND2 3.41Å; V382-N385 PolarHBondContact O-N 3.5Å
386	V	86.8	Confident	87.9	Confident	87 Å²	87	49.5 Å²	49.5	53%	0.527	23%	0.233	S	C	.	.			trans	-144.1	0	-174.9	-51.9	0	0	0	0	114.2	N172 K267 Y343 V382	N172-V386 PolarHBondContact ND2-OXT 3.45Å; K267-V386 HydrophobicContact CB-CB 4.28Å; K267-V386 HydrophobicContact CB-CG1 4.18Å; K267-V386 HydrophobicContact CB-CG2 4.05Å; K267-V386 HydrophobicContact CD-CB 4.03Å; K267-V386 HydrophobicContact CD-CG1 4.39Å; K267-V386 HydrophobicContact CD-CG2 4.42Å; K267-V386 HydrophobicContact CG-CB 4.06Å; K267-V386 HydrophobicContact CG-CG1 4.45Å; K267-V386 HydrophobicContact CG-CG2 3.91Å; Y343-V386 HydrophobicContact CD2-CG1 4.23Å; Y343-V386 HydrophobicContact CE2-CG1 3.79Å; V382-V386 HydrophobicContact CG1-CG1 4.07Å; V382-V386 HydrophobicContact CG1-CG2 3.83Å; V382-V386 VanDerWaalsContact O-CG2 3.28Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 3.37Å

Retrieved 386 of 386 residues in 203.7 ms (Link to these results)

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