A0A087YDP5_POEFO Loading...

Ectonucleotide pyrophosphatase/phosphodiesterase 5

AlphaFold DB , UniProt , Accession A0A087YDP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	31.7	Very low	231 Å²	231	141 Å²	141	100%	1.138	82%	0.816	S	S	*	*				0	88.6	0	-63.7	170.4	166.8	0	0	107.5
2	L	28.9	Very low	32.1	Very low	163 Å²	163	140.1 Å²	140.1	85%	0.853	80%	0.804	S	S	*	*			cis	42.8	129.2	36	-72.9	99.7	0	0	0	112.1
3	S	28.6	Very low	33.2	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	78%	0.783	S	S	*	*			cis	-166.7	167.2	-1.7	-85.3	0	0	0	0	107.1
4	Y	30.9	Very low	33.2	Very low	193 Å²	193	141.1 Å²	141.1	76%	0.757	79%	0.794	S	S	*	*			cis	-160.2	142	3.5	-130.6	-150	0	0	0	110.5
5	L	31.7	Very low	33.3	Very low	118 Å²	118	144.1 Å²	144.1	62%	0.618	79%	0.79	S	S	*	*				48.6	129	125	-100.2	85.5	0	0	0	122.7
6	T	30.7	Very low	33.4	Very low	123 Å²	123	143.9 Å²	143.9	76%	0.755	79%	0.786	S	S	*	*			trans	64.9	158.6	135.4	58.4	0	0	0	0	119.6
7	S	31.5	Very low	33.3	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	79%	0.793	S	S	*	*			cis	-146.7	147	-0.9	26.2	0	0	0	0	107.9
8	G	29.1	Very low	33.4	Very low	85 Å²	85	143.3 Å²	143.3	88%	0.876	78%	0.782	S	S	*	*				77.3	122.9	92.4	0	0	0	0	0	110.5
9	G	27.9	Very low	33.4	Very low	81 Å²	81	145.5 Å²	145.5	84%	0.835	79%	0.789	S	S	*	*			cis	159.4	153.8	25.1	0	0	0	0	0	104.2
10	C	28.4	Very low	33.4	Very low	133 Å²	133	144.6 Å²	144.6	90%	0.899	79%	0.788	S	S	*	*			cis	-137.1	154.2	33.3	-124.2	0	0	0	0	112.6
11	R	34.9	Very low	33.7	Very low	225 Å²	225	145.3 Å²	145.3	85%	0.849	79%	0.79	S	S	*	*			trans	-90.6	177.1	159.1	-57.1	173.3	170.9	179.4	-5.5	107.6
12	L	36.5	Very low	33.2	Very low	130 Å²	130	139.4 Å²	139.4	68%	0.681	77%	0.769	S	S	*	*			cis	-177.7	-171.4	34.8	-152.1	87.2	0	0	0	104.7
13	P	46.8	Very low	33.7	Very low	81 Å²	81	140 Å²	140	53%	0.526	77%	0.772	S	S	.	*			cis	-118.2	165.1	-35.2	25.6	-6.5	0	0	0	113.9	Y15	P13-Y15 HydrophobicContact CB-CD2 3.99Å; P13-Y15 HydrophobicContact CB-CE2 3.98Å; P13-Y15 HydrophobicContact CG-CD2 4.47Å; P13-Y15 HydrophobicContact CG-CE2 4.32Å
14	F	33.3	Very low	34	Very low	214 Å²	214	142.2 Å²	142.2	94%	0.939	78%	0.782	S	S	*	*			trans	-128.3	122.9	138	-104.5	-88.7	0	0	0	107.7
15	Y	34.5	Very low	34	Very low	186 Å²	186	137.2 Å²	137.2	73%	0.729	78%	0.775	S	S	*	*			trans	-83.5	123.7	168.8	-76.9	-97.8	0	0	0	107.2	P13	P13-Y15 HydrophobicContact CB-CD2 3.99Å; P13-Y15 HydrophobicContact CB-CE2 3.98Å; P13-Y15 HydrophobicContact CG-CD2 4.47Å; P13-Y15 HydrophobicContact CG-CE2 4.32Å
16	L	34.8	Very low	34.2	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	78%	0.783	S	S	*	*				75	100.2	68.2	-155.4	158.6	0	0	0	112.2
17	F	31.4	Very low	34.4	Very low	206 Å²	206	139.6 Å²	139.6	90%	0.904	78%	0.784	S	S	*	*			trans	-150.5	136.9	135.8	-128.5	-87.8	0	0	0	110.5
18	A	35.7	Very low	35	Very low	72 Å²	72	139.8 Å²	139.8	60%	0.595	78%	0.781	S	S	*	*			trans	-142.6	179.9	179.7	0	0	0	0	0	109.2
19	M	33.2	Very low	35.2	Very low	185 Å²	185	143.7 Å²	143.7	91%	0.911	78%	0.781	S	S	*	*			trans	76.9	148	-170.7	-41.7	-171.7	-174.4	0	0	113.4
20	V	33.9	Very low	35.5	Very low	126 Å²	126	148.4 Å²	148.4	76%	0.764	78%	0.778	S	S	*	*			cis	-137.1	144.8	11.2	179.8	0	0	0	0	110.1
21	L	39.7	Very low	35.8	Very low	161 Å²	161	152.1 Å²	152.1	84%	0.843	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-98.1	133.7	162.5	-95.4	165.7	0	0	0	110.2
22	P	35.3	Very low	35.7	Very low	106 Å²	106	147.2 Å²	147.2	69%	0.688	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-98.3	124.7	160.4	32.7	-25.4	0	0	0	111.1
23	L	38.4	Very low	35.6	Very low	177 Å²	177	148.9 Å²	148.9	93%	0.927	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-71.5	135.2	161.4	-76.7	103.5	0	0	0	109.7
24	V	35.3	Very low	35	Very low	135 Å²	135	152.3 Å²	152.3	82%	0.818	78%	0.777	S	S	*	*			trans	-132	131.1	161.2	-176	0	0	0	0	108.9
25	S	31.4	Very low	35.1	Very low	88 Å²	88	148.9 Å²	148.9	62%	0.615	76%	0.764	S	S	*	*			trans	-70.3	142.6	-173.9	-173.1	0	0	0	0	112.7	H27	S25-H27 VanDerWaalsContact C-N 3.31Å; S25-H27 PolarHBondContact O-N 3.35Å
26	P	35.3	Very low	35.2	Very low	120 Å²	120	148.1 Å²	148.1	78%	0.779	77%	0.767	S	S	*	*			trans	-78.3	76.6	175.8	33.6	-35.1	0	0	0	111.2	T28	P26-T28 PolarHBondContact O-N 3.38Å; P26-T28 VanDerWaalsContact O-N 3.16Å
27	H	34.5	Very low	35.4	Very low	170 Å²	170	148 Å²	148	79%	0.787	76%	0.763	S	S	*	*			trans	-80.1	94.2	165.4	-95.9	-16.1	0	0	0	111.3	S25 L29	S25-H27 VanDerWaalsContact C-N 3.31Å; S25-H27 PolarHBondContact O-N 3.35Å; H27-L29 PolarHBondContact O-N 3.17Å
28	T	44.4	Very low	36	Very low	115 Å²	115	143.1 Å²	143.1	71%	0.706	75%	0.754	S	S	*	*			trans	8.1	74.3	146.4	-35.3	0	0	0	0	117.3	P26 K30	P26-T28 PolarHBondContact O-N 3.38Å; P26-T28 VanDerWaalsContact O-N 3.16Å; T28-K30 HydrophobicContact CG2-CG 4.14Å; T28-K30 PolarHBondContact O-N 3.08Å
29	L	33.1	Very low	36.9	Very low	166 Å²	166	144.3 Å²	144.3	87%	0.869	75%	0.747	S	S	*	*			trans	-87.9	88.1	150	-97.6	161.2	0	0	0	107.9	H27 R31	H27-L29 PolarHBondContact O-N 3.17Å; L29-R31 PolarHBondContact O-N 3.11Å
30	K	35	Very low	38.2	Very low	180 Å²	180	141.6 Å²	141.6	78%	0.783	73%	0.73	S	S	*	*			trans	-65	76.4	160.6	-87.3	-171.8	174.1	-175.5	0	108.5	T28 N32	T28-K30 HydrophobicContact CG2-CG 4.14Å; T28-K30 PolarHBondContact O-N 3.08Å; K30-N32 PolarHBondContact O-N 3.45Å; K30-N32 VanDerWaalsContact O-N 3.14Å
31	R	33.9	Very low	40.2	Very low	211 Å²	211	144.5 Å²	144.5	80%	0.796	74%	0.735	S	S	*	*			trans	-69.1	104.3	155	-170.9	172.5	-170.3	159.2	2.3	104.8	L29 Q33	L29-R31 PolarHBondContact O-N 3.11Å; R31-Q33 PolarHBondContact O-N 3.47Å
32	N	33.4	Very low	42.5	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	70%	0.701	S	S	*	*			trans	-60.9	86.1	162.7	-86.8	9.7	0	0	0	107.1	K30 H34	K30-N32 PolarHBondContact O-N 3.45Å; K30-N32 VanDerWaalsContact O-N 3.14Å; N32-H34 PolarHBondContact O-N 3.02Å
33	Q	34.8	Very low	45.4	Very low	165 Å²	165	136 Å²	136	77%	0.771	69%	0.686	S	S	*	*			trans	-66.9	84.6	138.7	-74.6	-177.7	-39	0	0	105	R31 Q35	R31-Q33 PolarHBondContact O-N 3.47Å; Q33-Q35 PolarHBondContact O-N 3.32Å
34	H	33.8	Very low	48.2	Very low	153 Å²	153	129.3 Å²	129.3	71%	0.708	65%	0.649	S	S	*	*			trans	-55.1	98.6	134.6	-87.1	-69.6	0	0	0	104.2	N32 E36	N32-H34 PolarHBondContact O-N 3.02Å; H34-E36 PolarHBondContact O-N 3.48Å
35	Q	35.6	Very low	51.2	Low	142 Å²	142	122.9 Å²	122.9	66%	0.664	61%	0.61	S	S	*	*			trans	-66	85.9	157.6	-170.7	167.1	-5.8	0	0	103.6	Q33 H37	Q33-Q35 PolarHBondContact O-N 3.32Å; Q35-H37 PolarHBondContact NE2-NE2 3.02Å; Q35-H37 PolarHBondContact O-N 3.05Å
36	E	36.5	Very low	54.5	Low	170 Å²	170	118.7 Å²	118.7	79%	0.794	58%	0.581	S	S	*	*			trans	-56.6	87.9	154.7	-74.1	179.2	157.5	0	0	104.9	H34 S38	H34-E36 PolarHBondContact O-N 3.48Å; E36-S38 PolarHBondContact O-N 3.5Å
37	H	39.8	Very low	57.5	Low	138 Å²	138	113 Å²	113	64%	0.639	54%	0.544	S	S	*	.			trans	-59.7	83.6	143.4	-76.8	-75.4	0	0	0	104.7	Q35 H39	Q35-H37 PolarHBondContact NE2-NE2 3.02Å; Q35-H37 PolarHBondContact O-N 3.05Å; H37-H39 VanDerWaalsContact C-N 3.28Å; H37-H39 PolarHBondContact O-N 3.07Å
38	S	43.8	Very low	60.6	Low	103 Å²	103	104.9 Å²	104.9	72%	0.72	51%	0.507	S	S	*	.			trans	-55.2	108.8	157.5	52.2	0	0	0	0	104.3	E36 K40	E36-S38 PolarHBondContact O-N 3.5Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 3.46Å
39	H	53.7	Low	63.1	Low	97 Å²	97	99.4 Å²	99.4	45%	0.449	47%	0.473	S	S	.	.			trans	-58.7	106.9	171.9	-100.3	-87.5	0	0	0	105	H37 E41	H37-H39 VanDerWaalsContact C-N 3.28Å; H37-H39 PolarHBondContact O-N 3.07Å; H39-E41 VanDerWaalsContact C-N 3.3Å; H39-E41 PolarHBondContact O-N 3.48Å
40	K	60.7	Low	66.3	Low	128 Å²	128	91.5 Å²	91.5	56%	0.557	43%	0.432	S	S	*	.			trans	-65.1	99.5	176	-178.5	-168.2	177.2	-163.5	0	105	S38 R42 A399	S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 3.46Å; K40-R42 PolarHBondContact O-N 2.95Å; K40-A399 PolarHBondContact NZ-O 3.24Å
41	E	76.5	Confident	69.3	Low	186 Å²	186	83 Å²	83	87%	0.869	40%	0.395	S	S	*	.			trans	-53.2	112.6	175	-73.5	-168.7	128.5	0	0	107.8	H39	H39-E41 VanDerWaalsContact C-N 3.3Å; H39-E41 PolarHBondContact O-N 3.48Å
42	R	87.8	Confident	72.4	Confident	31 Å²	31	73 Å²	73	12%	0.117	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-88.6	139.5	176	-68.5	-177	-178.9	-90.5	-4.6	108.2	K40 K44 D145 D198 L398 A399	K40-R42 PolarHBondContact O-N 2.95Å; R42-K44 PolarHBondContact O-N 2.94Å; R42-D145 IonicContact CZ-OD2 3.77Å; R42-D145 IonicContact NH1-OD2 3.57Å; R42-D145 PolarHBondContact NH1-OD2 2.95Å; R42-D145 PolarHBondContact NH2-O 3.46Å; R42-D145 IonicContact NH2-OD1 2.75Å; R42-D145 IonicContact NH2-OD2 3.58Å; R42-D145 PolarHBondContact NH2-OD2 2.73Å; R42-D198 HydrophobicContact CB-CB 4.09Å; R42-L398 PolarHBondContact NH1-O 3.43Å; R42-A399 PolarHBondContact NH1-O 2.88Å
43	P	95.3	Very high	75.5	Confident	58 Å²	58	67.1 Å²	67.1	38%	0.377	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-57.5	137.6	168.6	-22.2	34.4	0	0	0	109.6	I397	P43-I397 VanDerWaalsContact CB-O 3.32Å; P43-I397 WeakPolarHBondContact CB-O 3.35Å; P43-I397 VanDerWaalsContact CG-O 3.24Å; P43-I397 WeakPolarHBondContact CG-O 3.15Å
44	K	97.9	Very high	78.6	Confident	37 Å²	37	60.1 Å²	60.1	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.2	179.5	-71.6	169.9	-179.9	-81	0	110.3	R42 F189 V197 D198 V248 N249	R42-K44 PolarHBondContact O-N 2.94Å; K44-F189 HydrophobicContact CB-CD1 4.21Å; K44-F189 HydrophobicContact CB-CE1 3.86Å; K44-F189 HydrophobicContact CD-CD1 3.88Å; K44-F189 HydrophobicContact CD-CE1 4.38Å; K44-F189 HydrophobicContact CG-CD1 4.04Å; K44-F189 HydrophobicContact CG-CE1 4.05Å; K44-F189 PolarHBondContact NZ-O 3.33Å; K44-F189 VanDerWaalsContact NZ-O 3.09Å; K44-V197 PolarHBondContact NZ-O 3.44Å; K44-D198 CarbonylContact C-O 3.58Å; K44-D198 VanDerWaalsContact CA-O 3.31Å; K44-D198 WeakPolarHBondContact CA-O 3.39Å; K44-V248 HydrophobicContact CB-CB 4.5Å; K44-V248 HydrophobicContact CB-CG2 3.93Å; K44-V248 HydrophobicContact CD-CG2 4.38Å; K44-N249 WeakPolarHBondContact O-CB 3.35Å; K44-N249 PolarHBondContact O-N 3.42Å; K44-N249 PolarHBondContact O-ND2 2.93Å
45	L	98.9	Very high	81.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.6	178.8	174.3	67.5	0	0	0	110.4	F189 D198 F199 G200 N249 V251 M394 I397 L398	L45-F189 WeakPolarHBondContact O-CZ 3.46Å; L45-D198 PolarHBondContact N-O 3.02Å; L45-F199 HydrophobicContact CB-CD2 4.33Å; L45-F199 HydrophobicContact CD2-CD2 4.01Å; L45-F199 HydrophobicContact CD2-CE2 4.03Å; L45-F199 HydrophobicContact CG-CD2 4.15Å; L45-F199 HydrophobicContact CG-CE2 4.33Å; L45-F199 CarbonylContact O-C 3.27Å; L45-F199 WeakPolarHBondContact O-CA 3.48Å; L45-G200 PolarHBondContact O-N 2.93Å; L45-N249 CarbonylContact C-O 3.58Å; L45-N249 VanDerWaalsContact CA-O 3.31Å; L45-N249 WeakPolarHBondContact CA-O 3.33Å; L45-N249 HydrophobicContact CD1-CB 3.88Å; L45-V251 HydrophobicContact CD1-CG2 4.06Å; L45-M394 HydrophobicContact CD2-CB 3.55Å; L45-M394 HydrophobicContact CD2-CG 3.63Å; L45-M394 HydrophobicContact CD2-SD 3.99Å; L45-I397 HydrophobicContact CB-CG2 4.25Å; L45-I397 HydrophobicContact CD1-CD1 4.39Å; L45-I397 HydrophobicContact CD1-CG2 4.38Å; L45-L398 HydrophobicContact CB-CD2 3.92Å; L45-L398 HydrophobicContact CB-CG 4.11Å; L45-L398 HydrophobicContact CD2-CD1 3.88Å; L45-L398 HydrophobicContact CD2-CG 3.98Å
46	L	98.9	Very high	84.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121	170.7	173.9	55.9	0	0	0	109.3	V48 I185 F189 G200 L202 L235 V248 N249 L250 V251	L46-V48 HydrophobicContact CD1-CG2 4.28Å; L46-V48 HydrophobicContact CD2-CG2 4.23Å; L46-V48 HydrophobicContact CG-CG2 3.91Å; L46-I185 HydrophobicContact CD1-CD1 4.31Å; L46-I185 HydrophobicContact CD1-CG2 3.83Å; L46-I185 HydrophobicContact CD2-CG2 3.77Å; L46-I185 HydrophobicContact CG-CG2 4.44Å; L46-F189 HydrophobicContact CB-CE2 3.96Å; L46-F189 HydrophobicContact CB-CZ 4.12Å; L46-F189 HydrophobicContact CD1-CE2 4.26Å; L46-F189 HydrophobicContact CD2-CE2 4.45Å; L46-F189 HydrophobicContact CG-CE2 4.44Å; L46-G200 WeakPolarHBondContact CA-O 3.25Å; L46-L202 HydrophobicContact CD1-CB 4.24Å; L46-L235 HydrophobicContact CD2-CD1 4.01Å; L46-L235 HydrophobicContact CD2-CD2 4.26Å; L46-V248 HydrophobicContact CB-CG1 3.73Å; L46-N249 PolarHBondContact N-O 3.4Å; L46-L250 HydrophobicContact CB-CD1 4.26Å; L46-L250 HydrophobicContact CD2-CD1 4.01Å; L46-L250 HydrophobicContact CG-CD1 3.96Å; L46-L250 WeakPolarHBondContact O-CA 3.26Å; L46-V251 PolarHBondContact O-N 2.69Å
47	L	98.9	Very high	87.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129	168.1	177.5	64.2	0	0	0	109.3	V95 W154 F199 G200 I201 L202 V251 T253 L390 M394	L47-V95 HydrophobicContact CD2-CG1 4.39Å; L47-W154 HydrophobicContact CD2-CH2 3.3Å; L47-W154 HydrophobicContact CD2-CZ2 3.69Å; L47-W154 HydrophobicContact CD2-CZ3 3.98Å; L47-W154 HydrophobicContact CG-CH2 3.63Å; L47-W154 HydrophobicContact CG-CZ2 4.49Å; L47-W154 HydrophobicContact CG-CZ3 3.92Å; L47-F199 HydrophobicContact CB-CE2 4.41Å; L47-G200 PolarHBondContact N-O 3.41Å; L47-I201 HydrophobicContact CB-CG2 4.27Å; L47-I201 CarbonylContact O-C 3.53Å; L47-I201 WeakPolarHBondContact O-CA 3.34Å; L47-L202 PolarHBondContact O-N 2.94Å; L47-V251 HydrophobicContact CD1-CB 3.82Å; L47-V251 HydrophobicContact CD1-CG1 3.59Å; L47-T253 HydrophobicContact CD1-CG2 3.84Å; L47-L390 HydrophobicContact CD1-CD2 4.12Å; L47-M394 HydrophobicContact CB-SD 4.3Å; L47-M394 HydrophobicContact CD2-CE 4.09Å; L47-M394 HydrophobicContact CD2-SD 3.86Å; L47-M394 HydrophobicContact CG-SD 4.49Å
48	V	98.9	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.4	176.7	-173.4	0	0	0	0	108.8	L46 F50 L202 L235 L250 V251 V252 T253	L46-V48 HydrophobicContact CD1-CG2 4.28Å; L46-V48 HydrophobicContact CD2-CG2 4.23Å; L46-V48 HydrophobicContact CG-CG2 3.91Å; V48-F50 HydrophobicContact CG1-CD2 4.46Å; V48-F50 HydrophobicContact CG1-CE2 4.06Å; V48-F50 HydrophobicContact CG1-CZ 4.14Å; V48-L202 CarbonylContact C-O 3.48Å; V48-L202 WeakPolarHBondContact CA-O 3.45Å; V48-L202 HydrophobicContact CG1-CD2 4.17Å; V48-L202 HydrophobicContact CG1-CG 4.3Å; V48-L202 HydrophobicContact CG2-CB 4.35Å; V48-L202 HydrophobicContact CG2-CD2 4.26Å; V48-L235 HydrophobicContact CG2-CD2 3.68Å; V48-L250 HydrophobicContact CG2-CD1 3.67Å; V48-V251 PolarHBondContact N-O 3.13Å; V48-V252 HydrophobicContact CB-CG2 4.37Å; V48-V252 WeakPolarHBondContact O-CA 3.41Å; V48-T253 PolarHBondContact O-N 3.19Å
49	S	98.9	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.5	170.6	-165.7	0	0	0	0	110.2	H91 L202 W204 T253	S49-H91 VanDerWaalsContact CB-NE2 3.26Å; S49-H91 WeakPolarHBondContact CB-NE2 3.35Å; S49-H91 PolarHBondContact OG-NE2 3.03Å; S49-L202 PolarHBondContact N-O 2.8Å; S49-W204 PolarHBondContact O-N 2.89Å; S49-T253 WeakPolarHBondContact CA-O 3.35Å
50	F	98.9	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.4	164.9	-67.3	-67.6	0	0	0	106.9	V48 G52 F53 F66 F178 W204 I228 L232 V252 T253 S254	V48-F50 HydrophobicContact CG1-CD2 4.46Å; V48-F50 HydrophobicContact CG1-CE2 4.06Å; V48-F50 HydrophobicContact CG1-CZ 4.14Å; F50-G52 PolarHBondContact O-N 3Å; F50-F53 HydrophobicContact CB-CB 3.97Å; F50-F53 HydrophobicContact CB-CD2 4.08Å; F50-F53 HydrophobicContact CB-CG 4.43Å; F50-F53 VanDerWaalsContact O-CB 3.26Å; F50-F53 WeakPolarHBondContact O-CB 3.32Å; F50-F53 PolarHBondContact O-N 3.04Å; F50-F53 VanDerWaalsContact O-N 3.15Å; F50-F66 HydrophobicContact CD2-CZ 4.02Å; F50-F66 HydrophobicContact CE2-CZ 4.11Å; F50-F178 HydrophobicContact CE1-CD2 4.37Å; F50-F178 AromaticContact CE1-CE2 3.64Å; F50-F178 HydrophobicContact CE1-CE2 3.64Å; F50-F178 AromaticContact CE1-CZ 3.85Å; F50-F178 HydrophobicContact CE1-CZ 3.85Å; F50-F178 HydrophobicContact CZ-CE2 4.14Å; F50-F178 AromaticContact CZ-CZ 3.91Å; F50-F178 HydrophobicContact CZ-CZ 3.91Å; F50-W204 HydrophobicContact CD1-CB 3.86Å; F50-W204 AromaticContact CD1-CD1 3.88Å; F50-W204 HydrophobicContact CD1-CG 4.2Å; F50-W204 HydrophobicContact CE1-CB 4.22Å; F50-W204 HydrophobicContact CE1-CG 4.43Å; F50-I228 HydrophobicContact CB-CG2 4.33Å; F50-I228 HydrophobicContact CD1-CG2 3.61Å; F50-I228 HydrophobicContact CD2-CG2 3.96Å; F50-I228 HydrophobicContact CE1-CG2 3.77Å; F50-I228 HydrophobicContact CE2-CG2 4.09Å; F50-I228 HydrophobicContact CG-CG2 3.71Å; F50-I228 HydrophobicContact CZ-CG2 4.01Å; F50-L232 HydrophobicContact CE2-CB 4.31Å; F50-L232 HydrophobicContact CE2-CD1 4.38Å; F50-L232 HydrophobicContact CZ-CB 4.2Å; F50-V252 HydrophobicContact CD2-CG1 3.72Å; F50-V252 HydrophobicContact CE2-CG1 3.63Å; F50-T253 PolarHBondContact N-O 3.17Å; F50-T253 VanDerWaalsContact N-O 3.09Å; F50-S254 WeakPolarHBondContact O-CB 3.38Å
51	D	98.8	Very high	96.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	133.9	-170.1	-158.3	-48.3	0	0	0	111.8	F53 T87 H91 Y203 W204 E206 P207 D208 H256	D51-F53 PolarHBondContact O-N 3.43Å; D51-F53 VanDerWaalsContact O-N 3.11Å; D51-T87 WeakPolarHBondContact OD2-CG2 3.27Å; D51-H91 IonicContact OD2-CE1 3.25Å; D51-Y203 HydrophobicContact CB-CE2 3.85Å; D51-Y203 WeakPolarHBondContact OD2-CE2 3.47Å; D51-Y203 PolarHBondContact OD2-OH 3.33Å; D51-W204 WeakPolarHBondContact CB-O 3.4Å; D51-W204 PolarHBondContact N-O 3.41Å; D51-E206 CarbonylContact O-C 3.49Å; D51-P207 WeakPolarHBondContact O-CD 3.3Å; D51-P207 VanDerWaalsContact O-N 3.1Å; D51-D208 HydrophobicContact CB-CB 3.88Å; D51-D208 WeakPolarHBondContact O-CB 3.44Å; D51-D208 PolarHBondContact O-N 2.9Å; D51-D208 WeakPolarHBondContact OD1-CB 3.31Å; D51-H256 IonicContact OD1-CE1 2.71Å; D51-H256 PolarHBondContact OD1-CE1 2.92Å; D51-H256 VanDerWaalsContact OD1-CE1 3.22Å; D51-H256 IonicContact OD1-NE2 3.74Å
52	G	98.7	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	10.6	178.3	0	0	0	0	0	115.9	F50 R54 D255 H256	F50-G52 PolarHBondContact O-N 3Å; G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 3.03Å; G52-D255 PolarHBondContact N-OD1 3.2Å; G52-H256 CarbonylContact C-O 3.52Å; G52-H256 VanDerWaalsContact C-O 3.27Å; G52-H256 VanDerWaalsContact CA-O 3.28Å; G52-H256 WeakPolarHBondContact CA-O 3.24Å
53	F	98.8	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.			trans	-69	87.2	177.8	-157.4	-64	0	0	0	111.9	F50 D51 Y57 I58 F66 P207 I225 I228 S254 V368	F50-F53 HydrophobicContact CB-CB 3.97Å; F50-F53 HydrophobicContact CB-CD2 4.08Å; F50-F53 HydrophobicContact CB-CG 4.43Å; F50-F53 VanDerWaalsContact O-CB 3.26Å; F50-F53 WeakPolarHBondContact O-CB 3.32Å; F50-F53 PolarHBondContact O-N 3.04Å; F50-F53 VanDerWaalsContact O-N 3.15Å; D51-F53 PolarHBondContact O-N 3.43Å; D51-F53 VanDerWaalsContact O-N 3.11Å; F53-Y57 HydrophobicContact CD1-CD2 4.23Å; F53-Y57 HydrophobicContact CE1-CD2 4.43Å; F53-Y57 HydrophobicContact CE1-CG 4.43Å; F53-Y57 HydrophobicContact CG-CD2 4.39Å; F53-I58 HydrophobicContact CE1-CG2 3.57Å; F53-I58 HydrophobicContact CZ-CG2 3.95Å; F53-F66 HydrophobicContact CD2-CZ 4.28Å; F53-F66 HydrophobicContact CE1-CZ 4.29Å; F53-F66 AromaticContact CE2-CE2 3.83Å; F53-F66 HydrophobicContact CE2-CE2 3.83Å; F53-F66 AromaticContact CE2-CZ 3.86Å; F53-F66 HydrophobicContact CE2-CZ 3.86Å; F53-F66 HydrophobicContact CZ-CD2 4.46Å; F53-F66 AromaticContact CZ-CE2 3.77Å; F53-F66 HydrophobicContact CZ-CE2 3.77Å; F53-F66 AromaticContact CZ-CZ 3.86Å; F53-F66 HydrophobicContact CZ-CZ 3.86Å; F53-P207 HydrophobicContact CB-CG 3.94Å; F53-P207 HydrophobicContact CD2-CG 3.87Å; F53-P207 HydrophobicContact CG-CG 4.1Å; F53-I225 HydrophobicContact CE2-CG2 4.41Å; F53-I225 HydrophobicContact CZ-CG2 4.05Å; F53-I228 HydrophobicContact CD2-CB 4.5Å; F53-I228 HydrophobicContact CD2-CD1 4.18Å; F53-I228 HydrophobicContact CD2-CG2 3.79Å; F53-I228 HydrophobicContact CE2-CB 4.04Å; F53-I228 HydrophobicContact CE2-CD1 4.18Å; F53-I228 HydrophobicContact CE2-CG2 3.58Å; F53-S254 PolarHBondContact O-OG 3.18Å; F53-V368 HydrophobicContact CB-CG1 4.02Å; F53-V368 HydrophobicContact CD1-CB 3.88Å; F53-V368 HydrophobicContact CD1-CG1 3.59Å; F53-V368 HydrophobicContact CE1-CB 4.45Å; F53-V368 HydrophobicContact CE1-CG1 4.38Å; F53-V368 HydrophobicContact CG-CG1 4.01Å; F53-V368 PolarHBondContact O-N 2.9Å
54	R	98.7	Very high	98.4	Very high	18 Å²	18	28.3 Å²	28.3	7%	0.068	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-57.5	141.7	179.5	-158.4	168.9	83.6	156.7	20.8	112.5	G52 D56 Y57 M258 D364	G52-R54 VanDerWaalsContact C-N 3.34Å; G52-R54 PolarHBondContact O-N 3.03Å; R54-D56 WeakPolarHBondContact CG-OD1 3.48Å; R54-D56 IonicContact CZ-OD1 3.19Å; R54-D56 IonicContact CZ-OD2 3.21Å; R54-D56 IonicContact NE-OD1 2.91Å; R54-D56 PolarHBondContact NE-OD1 3.38Å; R54-D56 IonicContact NE-OD2 3.01Å; R54-D56 IonicContact NH2-OD1 2.64Å; R54-D56 IonicContact NH2-OD2 3.81Å; R54-D56 PolarHBondContact NH2-OD2 2.92Å; R54-D56 PolarHBondContact O-N 3.46Å; R54-Y57 HydrophobicContact CB-CD1 4.01Å; R54-Y57 HydrophobicContact CB-CD2 4Å; R54-Y57 HydrophobicContact CB-CE1 3.84Å; R54-Y57 HydrophobicContact CB-CE2 3.82Å; R54-Y57 HydrophobicContact CB-CG 4.1Å; R54-Y57 WeakPolarHBondContact O-CB 3.49Å; R54-Y57 PolarHBondContact O-N 3.37Å; R54-M258 WeakPolarHBondContact CD-O 3.18Å; R54-M258 PolarHBondContact NH1-O 3.4Å; R54-D364 WeakPolarHBondContact CD-O 2.93Å; R54-D364 WeakPolarHBondContact CG-O 3.3Å; R54-D364 IonicContact CZ-OD1 2.73Å; R54-D364 IonicContact CZ-OD2 2.65Å; R54-D364 IonicContact NH1-OD1 3.51Å; R54-D364 PolarHBondContact NH1-OD1 3.11Å; R54-D364 VanDerWaalsContact NH1-OD1 3.15Å; R54-D364 IonicContact NH1-OD2 3.85Å; R54-D364 PolarHBondContact NH1-OD2 3.08Å; R54-D364 IonicContact NH2-OD1 2.64Å
55	W	98.3	Very high	98.5	Very high	69 Å²	69	28.5 Å²	28.5	26%	0.261	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.7	-174.1	72.8	-85.5	0	0	0	116	R363 Q366	W55-R363 HydrophobicContact CZ2-CG 3.75Å; W55-R363 PolarHBondContact NE1-O 2.86Å; W55-Q366 PolarHBondContact N-O 3.35Å
56	D	97.9	Very high	98.5	Very high	37 Å²	37	28.5 Å²	28.5	20%	0.198	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-15	-175.8	63.4	-29.9	0	0	0	113.9	R54 I58 Y59 R60	R54-D56 WeakPolarHBondContact CG-OD1 3.48Å; R54-D56 IonicContact CZ-OD1 3.19Å; R54-D56 IonicContact CZ-OD2 3.21Å; R54-D56 IonicContact NE-OD1 2.91Å; R54-D56 PolarHBondContact NE-OD1 3.38Å; R54-D56 IonicContact NE-OD2 3.01Å; R54-D56 IonicContact NH2-OD1 2.64Å; R54-D56 IonicContact NH2-OD2 3.81Å; R54-D56 PolarHBondContact NH2-OD2 2.92Å; R54-D56 PolarHBondContact O-N 3.46Å; D56-I58 PolarHBondContact O-N 2.99Å; D56-Y59 PolarHBondContact O-N 3.25Å; D56-R60 PolarHBondContact O-N 3.47Å
57	Y	98.6	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-32.4	-177.6	-71.2	-5.6	0	0	0	112.5	F53 R54 Y59 R60 P207 P216 I225	F53-Y57 HydrophobicContact CD1-CD2 4.23Å; F53-Y57 HydrophobicContact CE1-CD2 4.43Å; F53-Y57 HydrophobicContact CE1-CG 4.43Å; F53-Y57 HydrophobicContact CG-CD2 4.39Å; R54-Y57 HydrophobicContact CB-CD1 4.01Å; R54-Y57 HydrophobicContact CB-CD2 4Å; R54-Y57 HydrophobicContact CB-CE1 3.84Å; R54-Y57 HydrophobicContact CB-CE2 3.82Å; R54-Y57 HydrophobicContact CB-CG 4.1Å; R54-Y57 WeakPolarHBondContact O-CB 3.49Å; R54-Y57 PolarHBondContact O-N 3.37Å; Y57-Y59 PolarHBondContact O-N 3.1Å; Y57-Y59 VanDerWaalsContact O-N 3.12Å; Y57-R60 WeakPolarHBondContact O-CB 3.35Å; Y57-R60 PolarHBondContact O-N 3.03Å; Y57-R60 VanDerWaalsContact O-N 3.12Å; Y57-P207 HydrophobicContact CD2-CG 3.87Å; Y57-P207 HydrophobicContact CE2-CB 4.18Å; Y57-P207 HydrophobicContact CE2-CG 3.74Å; Y57-P216 WeakPolarHBondContact OH-CB 3.41Å; Y57-I225 HydrophobicContact CD1-CD1 3.81Å; Y57-I225 HydrophobicContact CD2-CD1 3.98Å; Y57-I225 HydrophobicContact CD2-CG1 4.07Å; Y57-I225 HydrophobicContact CE1-CD1 4.34Å; Y57-I225 HydrophobicContact CG-CD1 3.59Å; Y57-I225 HydrophobicContact CG-CG1 4.08Å; Y57-I225 WeakPolarHBondContact O-CG2 3.41Å
58	I	97.3	Very high	98.4	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-12	172.3	58.2	173	0	0	0	114.6	F53 D56 T63 F66 M70 V368	F53-I58 HydrophobicContact CE1-CG2 3.57Å; F53-I58 HydrophobicContact CZ-CG2 3.95Å; D56-I58 PolarHBondContact O-N 2.99Å; I58-T63 PolarHBondContact O-OG1 3.01Å; I58-F66 HydrophobicContact CG2-CB 3.96Å; I58-F66 HydrophobicContact CG2-CD1 3.62Å; I58-F66 HydrophobicContact CG2-CD2 4.1Å; I58-F66 HydrophobicContact CG2-CE1 4.08Å; I58-F66 HydrophobicContact CG2-CG 3.63Å; I58-F66 HydrophobicContact CG2-CZ 4.5Å; I58-M70 HydrophobicContact CD1-SD 4.2Å; I58-V368 HydrophobicContact CD1-CG2 4.07Å; I58-V368 HydrophobicContact CG2-CG2 3.95Å
59	Y	97.5	Very high	98.4	Very high	109 Å²	109	35.6 Å²	35.6	43%	0.427	18%	0.176	S	C	.	.	H	α-helix	trans	-108.4	-8.1	176.2	-55.1	-57.6	0	0	0	113.2	D56 Y57 K75	D56-Y59 PolarHBondContact O-N 3.25Å; Y57-Y59 PolarHBondContact O-N 3.1Å; Y57-Y59 VanDerWaalsContact O-N 3.12Å; Y59-K75 WeakPolarHBondContact OH-CD 3.43Å; Y59-K75 WeakPolarHBondContact OH-CE 3.5Å; Y59-K75 PolarHBondContact OH-NZ 3.45Å
60	R	97.4	Very high	98.3	Very high	76 Å²	76	36.3 Å²	36.3	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-79.1	-38.3	-172.4	-179.2	173.3	167.9	163.7	2.7	112.9	D56 Y57 P216 S218 D222	D56-R60 PolarHBondContact O-N 3.47Å; Y57-R60 WeakPolarHBondContact O-CB 3.35Å; Y57-R60 PolarHBondContact O-N 3.03Å; Y57-R60 VanDerWaalsContact O-N 3.12Å; R60-P216 PolarHBondContact NH1-O 2.88Å; R60-S218 PolarHBondContact NH2-O 2.68Å; R60-D222 IonicContact CZ-OD1 2.76Å; R60-D222 IonicContact NE-OD1 2.67Å; R60-D222 PolarHBondContact NE-OD1 3.02Å; R60-D222 IonicContact NH2-OD1 3.28Å; R60-D222 PolarHBondContact NH2-OD1 2.82Å
61	V	97.9	Very high	98.2	Very high	23 Å²	23	39.5 Å²	39.5	14%	0.139	20%	0.196	C	C	.	.	S	Bend	trans	-130.6	165.5	174.1	-63.2	0	0	0	0	109.1	T63 D222 I225 A226	V61-T63 HydrophobicContact CG2-CG2 4.05Å; V61-T63 PolarHBondContact O-N 2.92Å; V61-T63 VanDerWaalsContact O-N 3.07Å; V61-D222 HydrophobicContact CG1-CB 3.68Å; V61-I225 HydrophobicContact CG2-CB 4.01Å; V61-I225 HydrophobicContact CG2-CG2 3.59Å; V61-A226 HydrophobicContact CG2-CB 4.39Å
62	P	98.3	Very high	98.2	Very high	117 Å²	117	42.8 Å²	42.8	76%	0.76	21%	0.211	S	C	*	.			trans	-61	112.1	171.7	-22.8	34.8	0	0	0	111.2	P64	P62-P64 VanDerWaalsContact C-CD 3.41Å; P62-P64 VanDerWaalsContact O-CD 3.22Å; P62-P64 WeakPolarHBondContact O-CD 3.28Å
63	T	98.6	Very high	98.2	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.074	21%	0.211	C	C	.	.			trans	-114	73.8	175.2	60	0	0	0	0	110.7	I58 V61 N65 F66 R67 I225 D229	I58-T63 PolarHBondContact O-OG1 3.01Å; V61-T63 HydrophobicContact CG2-CG2 4.05Å; V61-T63 PolarHBondContact O-N 2.92Å; V61-T63 VanDerWaalsContact O-N 3.07Å; T63-N65 VanDerWaalsContact C-N 3.29Å; T63-N65 PolarHBondContact O-N 3.49Å; T63-F66 PolarHBondContact O-N 3.49Å; T63-R67 WeakPolarHBondContact O-CB 3.32Å; T63-R67 PolarHBondContact O-N 2.94Å; T63-I225 HydrophobicContact CG2-CG2 4.22Å; T63-D229 VanDerWaalsContact C-CG 3.5Å; T63-D229 VanDerWaalsContact CA-CG 3.42Å; T63-D229 WeakPolarHBondContact CA-OD1 3.38Å; T63-D229 VanDerWaalsContact CB-OD1 3.23Å; T63-D229 WeakPolarHBondContact CB-OD1 3.44Å; T63-D229 HydrophobicContact CG2-CB 4.05Å
64	P	98.7	Very high	98.2	Very high	84 Å²	84	42.8 Å²	42.8	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-29.2	-174.9	24.7	-35.6	0	0	0	114.3	P62 R67 S68 D229	P62-P64 VanDerWaalsContact C-CD 3.41Å; P62-P64 VanDerWaalsContact O-CD 3.22Å; P62-P64 WeakPolarHBondContact O-CD 3.28Å; P64-R67 PolarHBondContact O-N 3.41Å; P64-S68 PolarHBondContact O-N 2.86Å; P64-D229 WeakPolarHBondContact CD-OD2 3.42Å; P64-D229 WeakPolarHBondContact CG-OD2 3.43Å
65	N	98.8	Very high	98.2	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.214	21%	0.212	C	C	.	.	H	α-helix	trans	-77.7	-40.9	-179.4	-63.6	-75.3	0	0	0	111.7	T63 R67 S68 I69 D229 L232 G233 L236	T63-N65 VanDerWaalsContact C-N 3.29Å; T63-N65 PolarHBondContact O-N 3.49Å; N65-R67 VanDerWaalsContact C-N 3.27Å; N65-R67 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-N 3.42Å; N65-I69 PolarHBondContact O-N 2.96Å; N65-D229 WeakPolarHBondContact CA-OD1 3.29Å; N65-D229 WeakPolarHBondContact CB-OD1 3.49Å; N65-D229 WeakPolarHBondContact CB-OD2 3.43Å; N65-D229 PolarHBondContact N-OD1 2.89Å; N65-D229 PolarHBondContact N-OD2 3.23Å; N65-D229 VanDerWaalsContact N-OD2 3.11Å; N65-D229 PolarHBondContact ND2-O 2.92Å; N65-D229 VanDerWaalsContact ND2-O 3.14Å; N65-D229 PolarHBondContact ND2-OD2 3.45Å; N65-L232 HydrophobicContact CB-CB 4.34Å; N65-L232 HydrophobicContact CB-CG 4.24Å; N65-G233 WeakPolarHBondContact OD1-CA 3.37Å; N65-L236 HydrophobicContact CB-CD1 4.09Å
66	F	98.8	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-40.8	166.1	-83	-84.3	0	0	0	111.3	F50 F53 I58 T63 I69 M70 I228 D229 L232 V252 V368 V370	F50-F66 HydrophobicContact CD2-CZ 4.02Å; F50-F66 HydrophobicContact CE2-CZ 4.11Å; F53-F66 HydrophobicContact CD2-CZ 4.28Å; F53-F66 HydrophobicContact CE1-CZ 4.29Å; F53-F66 AromaticContact CE2-CE2 3.83Å; F53-F66 HydrophobicContact CE2-CE2 3.83Å; F53-F66 AromaticContact CE2-CZ 3.86Å; F53-F66 HydrophobicContact CE2-CZ 3.86Å; F53-F66 HydrophobicContact CZ-CD2 4.46Å; F53-F66 AromaticContact CZ-CE2 3.77Å; F53-F66 HydrophobicContact CZ-CE2 3.77Å; F53-F66 AromaticContact CZ-CZ 3.86Å; F53-F66 HydrophobicContact CZ-CZ 3.86Å; I58-F66 HydrophobicContact CG2-CB 3.96Å; I58-F66 HydrophobicContact CG2-CD1 3.62Å; I58-F66 HydrophobicContact CG2-CD2 4.1Å; I58-F66 HydrophobicContact CG2-CE1 4.08Å; I58-F66 HydrophobicContact CG2-CG 3.63Å; I58-F66 HydrophobicContact CG2-CZ 4.5Å; T63-F66 PolarHBondContact O-N 3.49Å; F66-I69 PolarHBondContact O-N 3.4Å; F66-M70 WeakPolarHBondContact O-CG 3.5Å; F66-M70 PolarHBondContact O-N 3.46Å; F66-M70 VanDerWaalsContact O-N 3.09Å; F66-I228 HydrophobicContact CE2-CG2 4.32Å; F66-D229 HydrophobicContact CD2-CB 4.26Å; F66-D229 WeakPolarHBondContact CD2-OD1 3.37Å; F66-D229 PolarHBondContact N-OD1 3.39Å; F66-L232 HydrophobicContact CB-CD2 4.47Å; F66-L232 HydrophobicContact CD1-CD2 3.81Å; F66-L232 HydrophobicContact CD2-CD2 3.56Å; F66-L232 HydrophobicContact CE1-CD2 3.85Å; F66-L232 HydrophobicContact CE2-CD2 3.6Å; F66-L232 HydrophobicContact CG-CD2 3.67Å; F66-L232 HydrophobicContact CZ-CD2 3.75Å; F66-V252 HydrophobicContact CE1-CG1 3.77Å; F66-V252 HydrophobicContact CZ-CG1 4.14Å; F66-V368 HydrophobicContact CE1-CG1 4.45Å; F66-V368 HydrophobicContact CE1-CG2 4.37Å; F66-V370 HydrophobicContact CD1-CG2 3.88Å; F66-V370 HydrophobicContact CE1-CG2 4.31Å
67	R	98.3	Very high	98.2	Very high	123 Å²	123	42 Å²	42	46%	0.464	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-43.4	179.3	-175.8	67.3	-153.3	-166.9	8.4	112.7	T63 P64 N65 I69 M70 D71	T63-R67 WeakPolarHBondContact O-CB 3.32Å; T63-R67 PolarHBondContact O-N 2.94Å; P64-R67 PolarHBondContact O-N 3.41Å; N65-R67 VanDerWaalsContact C-N 3.27Å; N65-R67 PolarHBondContact O-N 3.16Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.3Å; R67-M70 WeakPolarHBondContact O-CB 3.48Å; R67-M70 PolarHBondContact O-N 3.2Å; R67-M70 VanDerWaalsContact O-N 3.16Å; R67-D71 WeakPolarHBondContact CG-OD2 3.5Å; R67-D71 IonicContact CZ-OD1 3.49Å; R67-D71 VanDerWaalsContact CZ-OD1 3.25Å; R67-D71 IonicContact CZ-OD2 3.21Å; R67-D71 VanDerWaalsContact NE-CG 3.34Å; R67-D71 IonicContact NE-OD1 3.73Å; R67-D71 PolarHBondContact NE-OD1 3.48Å; R67-D71 VanDerWaalsContact NE-OD1 3.14Å; R67-D71 IonicContact NE-OD2 3.17Å; R67-D71 PolarHBondContact NE-OD2 3.33Å; R67-D71 IonicContact NH2-OD1 3.51Å; R67-D71 PolarHBondContact NH2-OD1 3.44Å; R67-D71 IonicContact NH2-OD2 2.7Å; R67-D71 PolarHBondContact O-N 3.24Å
68	S	98.3	Very high	98.1	Very high	26 Å²	26	45.3 Å²	45.3	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-45	173.8	151.3	0	0	0	0	111.6	P64 N65 M70 D71 E72	P64-S68 PolarHBondContact O-N 2.86Å; N65-S68 PolarHBondContact O-N 3.42Å; S68-M70 VanDerWaalsContact C-N 3.34Å; S68-M70 PolarHBondContact O-N 3.34Å; S68-D71 PolarHBondContact O-N 3.08Å; S68-E72 VanDerWaalsContact O-CB 3.28Å; S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 VanDerWaalsContact O-CG 3.29Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 3.5Å; S68-E72 PolarHBondContact OG-OE1 2.97Å
69	I	98.5	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-38.7	177.5	-63.4	168.4	0	0	0	111.9	N65 F66 R67 G73 L232 L236 L250 V252 V370 R372	N65-I69 PolarHBondContact O-N 2.96Å; F66-I69 PolarHBondContact O-N 3.4Å; R67-I69 VanDerWaalsContact C-N 3.32Å; R67-I69 PolarHBondContact O-N 3.3Å; I69-G73 VanDerWaalsContact O-CA 3.29Å; I69-G73 WeakPolarHBondContact O-CA 3.34Å; I69-G73 PolarHBondContact O-N 3.3Å; I69-G73 VanDerWaalsContact O-N 3.09Å; I69-L232 HydrophobicContact CD1-CD1 3.93Å; I69-L232 HydrophobicContact CD1-CD2 3.78Å; I69-L232 HydrophobicContact CD1-CG 4.07Å; I69-L236 HydrophobicContact CD1-CD1 4.27Å; I69-L236 HydrophobicContact CD1-CD2 3.99Å; I69-L236 HydrophobicContact CG1-CD1 4.21Å; I69-L236 HydrophobicContact CG1-CD2 4.19Å; I69-L250 HydrophobicContact CD1-CD2 4.06Å; I69-V252 HydrophobicContact CD1-CG2 3.96Å; I69-V370 HydrophobicContact CB-CG2 4.21Å; I69-V370 HydrophobicContact CG2-CB 3.86Å; I69-V370 HydrophobicContact CG2-CG2 3.67Å; I69-R372 HydrophobicContact CG1-CG 4.33Å; I69-R372 HydrophobicContact CG2-CB 4.1Å; I69-R372 HydrophobicContact CG2-CG 4.07Å
70	M	97.4	Very high	98.2	Very high	15 Å²	15	43 Å²	43	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-44	175.8	-68.2	175	42.3	0	0	112.4	I58 F66 R67 S68 G73 K75 V370	I58-M70 HydrophobicContact CD1-SD 4.2Å; F66-M70 WeakPolarHBondContact O-CG 3.5Å; F66-M70 PolarHBondContact O-N 3.46Å; F66-M70 VanDerWaalsContact O-N 3.09Å; R67-M70 WeakPolarHBondContact O-CB 3.48Å; R67-M70 PolarHBondContact O-N 3.2Å; R67-M70 VanDerWaalsContact O-N 3.16Å; S68-M70 VanDerWaalsContact C-N 3.34Å; S68-M70 PolarHBondContact O-N 3.34Å; M70-G73 PolarHBondContact O-N 2.96Å; M70-K75 HydrophobicContact CE-CD 3.81Å; M70-K75 HydrophobicContact CE-CG 4.49Å; M70-K75 HydrophobicContact CG-CB 4.21Å; M70-K75 HydrophobicContact SD-CD 4.32Å; M70-V370 HydrophobicContact CG-CB 4.37Å; M70-V370 HydrophobicContact CG-CG1 3.58Å; M70-V370 HydrophobicContact SD-CG1 4.34Å
71	D	97.7	Very high	98.2	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-71.3	-37.7	-178	-71.4	-35	0	0	0	111.7	R67 S68 G73 N379	R67-D71 WeakPolarHBondContact CG-OD2 3.5Å; R67-D71 IonicContact CZ-OD1 3.49Å; R67-D71 VanDerWaalsContact CZ-OD1 3.25Å; R67-D71 IonicContact CZ-OD2 3.21Å; R67-D71 VanDerWaalsContact NE-CG 3.34Å; R67-D71 IonicContact NE-OD1 3.73Å; R67-D71 PolarHBondContact NE-OD1 3.48Å; R67-D71 VanDerWaalsContact NE-OD1 3.14Å; R67-D71 IonicContact NE-OD2 3.17Å; R67-D71 PolarHBondContact NE-OD2 3.33Å; R67-D71 IonicContact NH2-OD1 3.51Å; R67-D71 PolarHBondContact NH2-OD1 3.44Å; R67-D71 IonicContact NH2-OD2 2.7Å; R67-D71 PolarHBondContact O-N 3.24Å; S68-D71 PolarHBondContact O-N 3.08Å; D71-G73 VanDerWaalsContact C-N 3.3Å; D71-G73 PolarHBondContact O-N 3.45Å; D71-N379 PolarHBondContact O-N 3.13Å
72	E	97.6	Very high	98.3	Very high	70 Å²	70	38.5 Å²	38.5	33%	0.327	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.9	178.1	-63.8	171.9	-135	0	0	113.7	S68 Y245 R372	S68-E72 VanDerWaalsContact O-CB 3.28Å; S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 VanDerWaalsContact O-CG 3.29Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 3.5Å; S68-E72 PolarHBondContact OG-OE1 2.97Å; E72-Y245 WeakPolarHBondContact OE2-CE1 3.44Å; E72-Y245 PolarHBondContact OE2-OH 2.9Å; E72-R372 IonicContact OE2-NE 3.47Å
73	G	98.4	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-138.3	-163	0	0	0	0	0	114.8	I69 M70 D71 A371 R377 Q378 N379 Y380	I69-G73 VanDerWaalsContact O-CA 3.29Å; I69-G73 WeakPolarHBondContact O-CA 3.34Å; I69-G73 PolarHBondContact O-N 3.3Å; I69-G73 VanDerWaalsContact O-N 3.09Å; M70-G73 PolarHBondContact O-N 2.96Å; D71-G73 VanDerWaalsContact C-N 3.3Å; D71-G73 PolarHBondContact O-N 3.45Å; G73-A371 CarbonylContact C-O 3.41Å; G73-A371 VanDerWaalsContact CA-O 3.3Å; G73-A371 WeakPolarHBondContact CA-O 3.35Å; G73-R377 CarbonylContact C-O 3.48Å; G73-R377 WeakPolarHBondContact CA-O 3.47Å; G73-R377 VanDerWaalsContact O-O 3.14Å; G73-Q378 CarbonylContact O-C 3.46Å; G73-Q378 VanDerWaalsContact O-C 3.27Å; G73-Q378 WeakPolarHBondContact O-CA 3.49Å; G73-N379 PolarHBondContact O-N 2.95Å; G73-Y380 PolarHBondContact O-N 3.3Å
74	V	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149	-178.7	-53.3	0	0	0	0	112.1	F369 V370 A371 F376 R377 Y380 L415	V74-F369 HydrophobicContact CG2-CE1 4.41Å; V74-V370 CarbonylContact O-C 3.59Å; V74-V370 VanDerWaalsContact O-CA 3.3Å; V74-V370 WeakPolarHBondContact O-CA 3.44Å; V74-A371 HydrophobicContact CG2-CB 3.82Å; V74-A371 PolarHBondContact N-O 3.32Å; V74-A371 PolarHBondContact O-N 3.13Å; V74-F376 HydrophobicContact CG1-CB 4.28Å; V74-F376 HydrophobicContact CG1-CD1 4.43Å; V74-F376 HydrophobicContact CG2-CD1 3.87Å; V74-F376 HydrophobicContact CG2-CE1 4.36Å; V74-F376 HydrophobicContact CG2-CG 4.45Å; V74-R377 HydrophobicContact CG1-CB 4.01Å; V74-R377 WeakPolarHBondContact CG1-O 3.39Å; V74-Y380 CarbonylContact C-O 3.46Å; V74-Y380 VanDerWaalsContact CA-O 3.22Å; V74-Y380 WeakPolarHBondContact CA-O 3.33Å; V74-Y380 HydrophobicContact CG1-CD1 4.22Å; V74-L415 HydrophobicContact CB-CD2 4Å; V74-L415 HydrophobicContact CG1-CD2 4.34Å; V74-L415 HydrophobicContact CG2-CB 4.49Å; V74-L415 HydrophobicContact CG2-CD2 4Å
75	K	98.5	Very high	98.2	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.083	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.6	168.2	178.4	-158.3	154.9	-166.8	0	109	Y59 M70 E77 V370 Y380 I381 K382	Y59-K75 WeakPolarHBondContact OH-CD 3.43Å; Y59-K75 WeakPolarHBondContact OH-CE 3.5Å; Y59-K75 PolarHBondContact OH-NZ 3.45Å; M70-K75 HydrophobicContact CE-CD 3.81Å; M70-K75 HydrophobicContact CE-CG 4.49Å; M70-K75 HydrophobicContact CG-CB 4.21Å; M70-K75 HydrophobicContact SD-CD 4.32Å; K75-E77 IonicContact NZ-OE1 3.93Å; K75-E77 PolarHBondContact NZ-OE1 3.02Å; K75-V370 HydrophobicContact CB-CG1 4.41Å; K75-V370 HydrophobicContact CG-CG1 4.32Å; K75-Y380 PolarHBondContact N-O 2.98Å; K75-I381 HydrophobicContact CD-CG2 4.42Å; K75-K382 PolarHBondContact O-N 3.31Å
76	V	98.6	Very high	98.2	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.9	160.9	-169.7	0	0	0	0	110.4	F78 V79 F369 K382 M385 L415	V76-F78 WeakPolarHBondContact CG1-O 3.25Å; V76-V79 HydrophobicContact CB-CG2 4.32Å; V76-V79 HydrophobicContact CG1-CG2 4.38Å; V76-F369 HydrophobicContact CB-CB 4.28Å; V76-F369 HydrophobicContact CB-CD1 4.15Å; V76-F369 HydrophobicContact CB-CG 4.49Å; V76-F369 HydrophobicContact CG2-CD1 3.56Å; V76-F369 HydrophobicContact CG2-CE1 4.02Å; V76-F369 HydrophobicContact CG2-CG 4.24Å; V76-F369 PolarHBondContact N-O 3.05Å; V76-F369 VanDerWaalsContact N-O 3.1Å; V76-K382 CarbonylContact C-O 3.51Å; V76-K382 WeakPolarHBondContact CA-O 3.33Å; V76-K382 HydrophobicContact CG1-CB 4.5Å; V76-K382 HydrophobicContact CG1-CG 4.4Å; V76-K382 HydrophobicContact CG2-CB 4.16Å; V76-K382 HydrophobicContact CG2-CD 4.17Å; V76-K382 HydrophobicContact CG2-CG 4.46Å; V76-M385 HydrophobicContact CB-CG 4.43Å; V76-M385 HydrophobicContact CB-SD 4.4Å; V76-M385 HydrophobicContact CG1-CB 4.16Å; V76-M385 HydrophobicContact CG1-CG 3.94Å; V76-M385 HydrophobicContact CG2-CG 4.25Å; V76-M385 HydrophobicContact CG2-SD 3.77Å; V76-L415 HydrophobicContact CG2-CD1 4.33Å; V76-L415 HydrophobicContact CG2-CD2 4.14Å
77	E	97.7	Very high	98.2	Very high	84 Å²	84	27.3 Å²	27.3	39%	0.393	13%	0.127	S	C	.	.	S	Bend	trans	-87	-22.3	-176	-45.1	-150.3	102.6	0	0	114.2	K75 R363 I381 K382	K75-E77 IonicContact NZ-OE1 3.93Å; K75-E77 PolarHBondContact NZ-OE1 3.02Å; E77-R363 VanDerWaalsContact O-CZ 3.27Å; E77-R363 PolarHBondContact O-NH1 2.91Å; E77-R363 PolarHBondContact O-NH2 3.37Å; E77-I381 VanDerWaalsContact CD-CG2 3.49Å; E77-I381 HydrophobicContact CG-CG2 3.39Å; E77-K382 PolarHBondContact N-O 2.94Å
78	F	97.8	Very high	98.2	Very high	69 Å²	69	22.6 Å²	22.6	30%	0.303	11%	0.11	S	C	.	.			trans	-141.6	117.5	179.9	-175	-69	0	0	0	108.5	V76 E80 A383 S384 M385	V76-F78 WeakPolarHBondContact CG1-O 3.25Å; F78-E80 HydrophobicContact CD1-CB 4.5Å; F78-E80 HydrophobicContact CE1-CB 3.97Å; F78-E80 HydrophobicContact CE1-CG 4.49Å; F78-A383 WeakPolarHBondContact CB-O 3.26Å; F78-A383 PolarHBondContact N-O 2.97Å; F78-A383 VanDerWaalsContact N-O 3.09Å; F78-S384 CarbonylContact O-C 3.59Å; F78-S384 WeakPolarHBondContact O-CA 2.95Å; F78-M385 PolarHBondContact O-N 2.92Å
79	V	98.3	Very high	98.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.024	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.2	173.3	-177.1	0	0	0	0	107.4	V76 N81 P367 F369 M385	V76-V79 HydrophobicContact CB-CG2 4.32Å; V76-V79 HydrophobicContact CG1-CG2 4.38Å; V79-N81 PolarHBondContact O-N 2.78Å; V79-P367 HydrophobicContact CB-CG 3.76Å; V79-P367 HydrophobicContact CG1-CG 3.66Å; V79-F369 HydrophobicContact CG2-CB 3.61Å; V79-M385 WeakPolarHBondContact CA-O 3.45Å; V79-M385 HydrophobicContact CG1-CG 4.24Å; V79-M385 HydrophobicContact CG2-CG 4.2Å
80	E	97.7	Very high	98.2	Very high	67 Å²	67	21.4 Å²	21.4	31%	0.313	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	99	170.2	-163.9	-177.3	166.1	0	0	107.9	F78 M385 R386 S387	F78-E80 HydrophobicContact CD1-CB 4.5Å; F78-E80 HydrophobicContact CE1-CB 3.97Å; F78-E80 HydrophobicContact CE1-CG 4.49Å; E80-M385 PolarHBondContact N-O 3.37Å; E80-R386 HydrophobicContact CB-CB 4.43Å; E80-R386 HydrophobicContact CB-CG 4.24Å; E80-R386 CarbonylContact O-C 3.39Å; E80-R386 WeakPolarHBondContact O-CA 3.16Å; E80-S387 PolarHBondContact O-N 2.7Å
81	N	98.1	Very high	98.3	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.098	C	C	.	.			trans	-77.7	175.4	172.5	62	-15.5	0	0	0	110.9	V79 T85 N90 D255 H256 N360 M365 P367	V79-N81 PolarHBondContact O-N 2.78Å; N81-T85 WeakPolarHBondContact ND2-CG2 3.37Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.32Å; N81-N90 WeakPolarHBondContact CB-OD1 3.41Å; N81-D255 WeakPolarHBondContact CB-O 3.45Å; N81-D255 PolarHBondContact ND2-O 3.14Å; N81-H256 WeakPolarHBondContact ND2-CA 3.24Å; N81-N360 WeakPolarHBondContact O-CB 3.21Å; N81-N360 PolarHBondContact O-ND2 2.77Å; N81-M365 PolarHBondContact ND2-O 3.46Å; N81-P367 HydrophobicContact CB-CG 4.26Å
82	I	98.6	Very high	98.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-85.6	156.9	-177.3	69.4	138.9	0	0	0	111.6	I84 T85 P89 N90 S93 Y99 A100 V388	I82-I84 CarbonylContact O-C 3.53Å; I82-I84 VanDerWaalsContact O-C 3.29Å; I82-T85 WeakPolarHBondContact O-CG2 3.41Å; I82-P89 HydrophobicContact CD1-CB 3.86Å; I82-N90 HydrophobicContact CG1-CB 4.47Å; I82-N90 WeakPolarHBondContact CG1-OD1 3.39Å; I82-N90 PolarHBondContact N-OD1 3.11Å; I82-S93 WeakPolarHBondContact CD1-OG 3.39Å; I82-S93 WeakPolarHBondContact CG1-OG 3.38Å; I82-Y99 HydrophobicContact CB-CD1 4.21Å; I82-Y99 HydrophobicContact CG2-CD1 3.64Å; I82-Y99 HydrophobicContact CG2-CE1 4.02Å; I82-A100 HydrophobicContact CD1-CB 3.55Å; I82-V388 HydrophobicContact CG2-CG1 3.83Å
83	Y	98.5	Very high	98.4	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.008	7%	0.065	C	C	.	.	S	Bend	trans	-89	137.2	169	-171.4	-89.3	0	0	0	110.3	F322 Y324 L334 E336	Y83-F322 HydrophobicContact CD1-CB 3.83Å; Y83-F322 AromaticContact CD1-CD2 3.97Å; Y83-F322 HydrophobicContact CD1-CD2 3.97Å; Y83-F322 AromaticContact CD1-CG 3.93Å; Y83-F322 HydrophobicContact CD1-CG 3.93Å; Y83-F322 AromaticContact CD2-CD1 3.89Å; Y83-F322 HydrophobicContact CD2-CD1 3.89Å; Y83-F322 HydrophobicContact CD2-CD2 4.17Å; Y83-F322 AromaticContact CD2-CE1 3.99Å; Y83-F322 HydrophobicContact CD2-CE1 3.99Å; Y83-F322 HydrophobicContact CD2-CE2 4.27Å; Y83-F322 AromaticContact CD2-CG 4Å; Y83-F322 HydrophobicContact CD2-CG 4Å; Y83-F322 HydrophobicContact CD2-CZ 4.18Å; Y83-F322 HydrophobicContact CE1-CB 4.47Å; Y83-F322 AromaticContact CE1-CD2 3.83Å; Y83-F322 HydrophobicContact CE1-CD2 3.83Å; Y83-F322 HydrophobicContact CE1-CE2 4.27Å; Y83-F322 HydrophobicContact CE1-CG 4.26Å; Y83-F322 HydrophobicContact CE2-CD1 4.39Å; Y83-F322 HydrophobicContact CE2-CD2 4.04Å; Y83-F322 HydrophobicContact CE2-CE1 4.19Å; Y83-F322 AromaticContact CE2-CE2 3.82Å; Y83-F322 HydrophobicContact CE2-CE2 3.82Å; Y83-F322 HydrophobicContact CE2-CG 4.33Å; Y83-F322 AromaticContact CE2-CZ 3.91Å; Y83-F322 HydrophobicContact CE2-CZ 3.91Å; Y83-F322 HydrophobicContact CG-CB 3.87Å; Y83-F322 AromaticContact CG-CD1 3.98Å; Y83-F322 HydrophobicContact CG-CD1 3.98Å; Y83-F322 HydrophobicContact CG-CD2 4.12Å; Y83-F322 AromaticContact CG-CG 3.76Å; Y83-F322 HydrophobicContact CG-CG 3.76Å; Y83-F322 AromaticContact CZ-CD2 3.85Å; Y83-F322 AromaticContact CZ-CE2 3.8Å; Y83-Y324 AromaticContact CD1-CD1 3.95Å; Y83-Y324 HydrophobicContact CD1-CD1 3.95Å; Y83-Y324 HydrophobicContact CD1-CD2 4.16Å; Y83-Y324 AromaticContact CD1-CG 3.68Å; Y83-Y324 HydrophobicContact CD1-CG 3.68Å; Y83-Y324 AromaticContact CE1-CD1 3.85Å; Y83-Y324 HydrophobicContact CE1-CD1 3.85Å; Y83-Y324 HydrophobicContact CE1-CE1 4.4Å; Y83-Y324 HydrophobicContact CE1-CG 4.08Å; Y83-Y324 VanDerWaalsContact O-CD2 3.31Å; Y83-Y324 WeakPolarHBondContact O-CD2 3.24Å; Y83-L334 HydrophobicContact CE1-CD2 3.94Å; Y83-E336 WeakPolarHBondContact CE2-OE1 3.5Å
84	I	97.9	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	S	Bend	cis	-73.9	155	-9.8	58.2	176.7	0	0	0	111.6	I82 K86 N90 A107 D282 V286 Y324	I82-I84 CarbonylContact O-C 3.53Å; I82-I84 VanDerWaalsContact O-C 3.29Å; I84-K86 HydrophobicContact CB-CG 4.49Å; I84-K86 HydrophobicContact CD1-CB 4.12Å; I84-K86 HydrophobicContact CD1-CG 3.47Å; I84-K86 VanDerWaalsContact CD1-CG 3.47Å; I84-K86 HydrophobicContact CG1-CB 4.07Å; I84-K86 HydrophobicContact CG1-CG 3.8Å; I84-K86 PolarHBondContact O-N 2.85Å; I84-N90 PolarHBondContact O-ND2 3.34Å; I84-A107 HydrophobicContact CD1-CB 3.91Å; I84-D282 WeakPolarHBondContact CD1-OD2 3.39Å; I84-V286 HydrophobicContact CG2-CB 3.89Å; I84-V286 HydrophobicContact CG2-CG1 3.62Å; I84-V286 HydrophobicContact CG2-CG2 4.19Å; I84-Y324 HydrophobicContact CG2-CE1 4.32Å; I84-Y324 HydrophobicContact CG2-CE2 4.49Å
85	T	98.4	Very high	98.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.			trans	-80.8	51.8	-177.1	54.3	0	0	0	0	112.9	N81 I82 H256 H356 G357 Y358 N360 M365	N81-T85 WeakPolarHBondContact ND2-CG2 3.37Å; N81-T85 WeakPolarHBondContact OD1-CG2 3.32Å; I82-T85 WeakPolarHBondContact O-CG2 3.41Å; T85-H256 PolarHBondContact O-CD2 3.04Å; T85-H356 PolarHBondContact O-ND1 2.73Å; T85-G357 PolarHBondContact N-O 2.91Å; T85-G357 WeakPolarHBondContact O-CA 3.46Å; T85-G357 PolarHBondContact O-N 3.1Å; T85-G357 VanDerWaalsContact O-N 3.16Å; T85-G357 WeakPolarHBondContact OG1-CA 3.2Å; T85-G357 PolarHBondContact OG1-N 3.25Å; T85-Y358 WeakPolarHBondContact CG2-O 3.25Å; T85-Y358 PolarHBondContact OG1-N 3.07Å; T85-Y358 PolarHBondContact OG1-O 3.32Å; T85-N360 HydrophobicContact CG2-CB 3.61Å; T85-M365 HydrophobicContact CG2-CB 4.06Å; T85-M365 HydrophobicContact CG2-CG 4.47Å; T85-M365 PolarHBondContact OG1-SD 2.87Å
86	K	98.4	Very high	98.5	Very high	11 Å²	11	13.6 Å²	13.6	5%	0.048	6%	0.063	C	C	.	.			trans	-105.9	159.9	177.7	-68.5	-60.2	-161.8	-176.1	0	112.3	I84 P89 N90 S284 N355 H356	I84-K86 HydrophobicContact CB-CG 4.49Å; I84-K86 HydrophobicContact CD1-CB 4.12Å; I84-K86 HydrophobicContact CD1-CG 3.47Å; I84-K86 VanDerWaalsContact CD1-CG 3.47Å; I84-K86 HydrophobicContact CG1-CB 4.07Å; I84-K86 HydrophobicContact CG1-CG 3.8Å; I84-K86 PolarHBondContact O-N 2.85Å; K86-P89 HydrophobicContact CB-CG 4.3Å; K86-P89 WeakPolarHBondContact O-CD 3.44Å; K86-N90 PolarHBondContact N-ND2 3.39Å; K86-N90 WeakPolarHBondContact O-CB 3.34Å; K86-N90 PolarHBondContact O-N 2.86Å; K86-N90 PolarHBondContact O-ND2 2.93Å; K86-S284 PolarHBondContact NZ-O 2.76Å; K86-N355 PolarHBondContact NZ-OD1 2.86Å; K86-H356 WeakPolarHBondContact CD-CE1 3.49Å; K86-H356 VanDerWaalsContact CE-O 3.3Å; K86-H356 WeakPolarHBondContact CE-O 3.36Å; K86-H356 PolarHBondContact NZ-O 3.42Å
87	T	98.4	Very high	98.5	Very high	4 Å²	4	13.3 Å²	13.3	3%	0.025	6%	0.061	C	C	.	.	H	α-helix	trans	-54.8	-64.9	-170.3	-44.3	0	0	0	0	115.1	D51 N90 H91 N108 D255 H256	D51-T87 WeakPolarHBondContact OD2-CG2 3.27Å; T87-N90 PolarHBondContact O-N 2.87Å; T87-H91 WeakPolarHBondContact O-CB 3.47Å; T87-H91 PolarHBondContact O-N 3.46Å; T87-H91 PolarHBondContact O-ND1 2.99Å; T87-N108 PolarHBondContact N-OD1 2.77Å; T87-N108 PolarHBondContact OG1-ND2 3.41Å; T87-D255 VanDerWaalsContact CA-OD2 3.25Å; T87-D255 WeakPolarHBondContact CA-OD2 3.46Å; T87-H256 PolarHBondContact N-NE2 2.87Å; T87-H256 PolarHBondContact OG1-NE2 3.4Å
88	Y	98.6	Very high	98.5	Very high	25 Å²	25	10.2 Å²	10.2	10%	0.098	5%	0.047	C	C	.	.	H	α-helix	trans	-64.3	-44.1	-173.5	-88.6	-126.8	0	0	0	112.3	N90 Y92 N108 F119 M121 V126 W132 P155	Y88-N90 PolarHBondContact O-N 2.85Å; Y88-Y92 WeakPolarHBondContact O-CB 3.33Å; Y88-Y92 PolarHBondContact O-N 3.2Å; Y88-N108 WeakPolarHBondContact CB-OD1 3.24Å; Y88-N108 PolarHBondContact N-OD1 3.01Å; Y88-F119 HydrophobicContact CD1-CE1 4.02Å; Y88-F119 AromaticContact CD1-CZ 3.59Å; Y88-F119 HydrophobicContact CD1-CZ 3.59Å; Y88-F119 HydrophobicContact CE1-CE1 4.35Å; Y88-F119 AromaticContact CE1-CZ 3.75Å; Y88-F119 HydrophobicContact CE1-CZ 3.75Å; Y88-M121 HydrophobicContact CD2-CB 4.33Å; Y88-M121 HydrophobicContact CE2-CB 3.93Å; Y88-M121 HydrophobicContact CE2-CE 4.28Å; Y88-V126 HydrophobicContact CE1-CB 4.41Å; Y88-V126 HydrophobicContact CE1-CG1 3.97Å; Y88-W132 AromaticContact CD1-CH2 3.38Å; Y88-W132 HydrophobicContact CD1-CH2 3.38Å; Y88-W132 AromaticContact CD1-CZ2 3.8Å; Y88-W132 HydrophobicContact CD1-CZ2 3.8Å; Y88-W132 HydrophobicContact CD1-CZ3 4.44Å; Y88-W132 AromaticContact CE1-CH2 3.62Å; Y88-W132 HydrophobicContact CE1-CH2 3.62Å; Y88-W132 AromaticContact CE1-CZ2 3.71Å; Y88-W132 HydrophobicContact CE1-CZ2 3.71Å; Y88-W132 HydrophobicContact CG-CH2 4.46Å; Y88-P155 HydrophobicContact CD1-CB 4.25Å; Y88-P155 HydrophobicContact CD2-CB 4.26Å; Y88-P155 HydrophobicContact CD2-CG 4.32Å; Y88-P155 HydrophobicContact CE1-CB 4.31Å; Y88-P155 HydrophobicContact CE2-CB 4.31Å; Y88-P155 HydrophobicContact CE2-CG 4.3Å; Y88-P155 HydrophobicContact CG-CB 4.22Å
89	P	98.7	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-56.5	-49.5	174.6	-27.3	35.1	0	0	0	113.2	I82 K86 Y92 S93 H103 V105 V106 N108	I82-P89 HydrophobicContact CD1-CB 3.86Å; K86-P89 HydrophobicContact CB-CG 4.3Å; K86-P89 WeakPolarHBondContact O-CD 3.44Å; P89-Y92 PolarHBondContact O-N 3.09Å; P89-S93 WeakPolarHBondContact O-CB 3.47Å; P89-S93 PolarHBondContact O-N 3.41Å; P89-S93 PolarHBondContact O-OG 3.21Å; P89-H103 PolarHBondContact O-CE1 3.11Å; P89-H103 PolarHBondContact O-NE2 3.2Å; P89-V105 WeakPolarHBondContact CA-O 3.42Å; P89-V105 WeakPolarHBondContact CB-O 3.43Å; P89-V105 WeakPolarHBondContact CG-O 3.32Å; P89-V106 VanDerWaalsContact CG-C 3.49Å; P89-V106 WeakPolarHBondContact CG-O 3.43Å; P89-N108 WeakPolarHBondContact CD-OD1 3.44Å
90	N	98.9	Very high	98.6	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-72.7	-41.6	-176	-78.6	-82	0	0	0	112.6	N81 I82 I84 K86 T87 Y88 Y92 S93 M94 D255	N81-N90 WeakPolarHBondContact CB-OD1 3.41Å; I82-N90 HydrophobicContact CG1-CB 4.47Å; I82-N90 WeakPolarHBondContact CG1-OD1 3.39Å; I82-N90 PolarHBondContact N-OD1 3.11Å; I84-N90 PolarHBondContact O-ND2 3.34Å; K86-N90 PolarHBondContact N-ND2 3.39Å; K86-N90 WeakPolarHBondContact O-CB 3.34Å; K86-N90 PolarHBondContact O-N 2.86Å; K86-N90 PolarHBondContact O-ND2 2.93Å; T87-N90 PolarHBondContact O-N 2.87Å; Y88-N90 PolarHBondContact O-N 2.85Å; N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.91Å; N90-S93 WeakPolarHBondContact O-CB 3.5Å; N90-S93 PolarHBondContact O-N 2.63Å; N90-M94 WeakPolarHBondContact O-CG 3.49Å; N90-M94 PolarHBondContact O-N 2.68Å; N90-D255 HydrophobicContact CB-CB 3.73Å
91	H	98.9	Very high	98.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.8	-34.9	174	-82.5	97.2	0	0	0	112.9	S49 D51 T87 M94 W154 P155 Y203 D255	S49-H91 VanDerWaalsContact CB-NE2 3.26Å; S49-H91 WeakPolarHBondContact CB-NE2 3.35Å; S49-H91 PolarHBondContact OG-NE2 3.03Å; D51-H91 IonicContact OD2-CE1 3.25Å; T87-H91 WeakPolarHBondContact O-CB 3.47Å; T87-H91 PolarHBondContact O-N 3.46Å; T87-H91 PolarHBondContact O-ND1 2.99Å; H91-M94 HydrophobicContact CB-CE 4.49Å; H91-W154 HydrophobicContact CB-CZ2 4.46Å; H91-W154 AromaticContact CD2-CE2 3.71Å; H91-W154 AromaticContact CD2-CH2 3.86Å; H91-W154 AromaticContact CD2-CZ2 3.61Å; H91-W154 PolarHBondContact O-NE1 3.12Å; H91-P155 HydrophobicContact CB-CB 4.03Å; H91-P155 HydrophobicContact CB-CG 3.68Å; H91-Y203 AromaticContact CE1-CD2 3.87Å; H91-Y203 AromaticContact CE1-CE2 3.72Å; H91-Y203 AromaticContact NE2-CD2 3.44Å; H91-Y203 WeakPolarHBondContact NE2-CD2 3.37Å; H91-Y203 AromaticContact NE2-CE2 3.79Å; H91-D255 IonicContact CE1-OD1 2.71Å; H91-D255 IonicContact CE1-OD2 2.74Å; H91-D255 PolarHBondContact CE1-OD2 3.45Å; H91-D255 IonicContact ND1-OD2 3.12Å; H91-D255 PolarHBondContact ND1-OD2 3.1Å
92	Y	98.8	Very high	98.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-79.9	-34.2	176.5	-154.8	-125.8	0	0	0	112.5	Y88 P89 N90 M94 V95 T96 H103 V105 W132 A135 P137 W139 I161	Y88-Y92 WeakPolarHBondContact O-CB 3.33Å; Y88-Y92 PolarHBondContact O-N 3.2Å; P89-Y92 PolarHBondContact O-N 3.09Å; N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.91Å; Y92-M94 PolarHBondContact O-N 2.84Å; Y92-V95 HydrophobicContact CD2-CG2 3.99Å; Y92-V95 WeakPolarHBondContact O-CG2 3.44Å; Y92-V95 PolarHBondContact O-N 2.71Å; Y92-T96 HydrophobicContact CD1-CG2 4.22Å; Y92-T96 HydrophobicContact CD2-CG2 4.45Å; Y92-T96 HydrophobicContact CE1-CG2 4.07Å; Y92-T96 HydrophobicContact CE2-CG2 4.26Å; Y92-T96 HydrophobicContact CG-CG2 4.41Å; Y92-T96 WeakPolarHBondContact O-CB 3.41Å; Y92-T96 WeakPolarHBondContact O-CG2 3.39Å; Y92-T96 PolarHBondContact O-N 3.02Å; Y92-T96 VanDerWaalsContact O-N 3.14Å; Y92-T96 PolarHBondContact O-OG1 3.28Å; Y92-H103 HydrophobicContact CD1-CB 3.88Å; Y92-H103 AromaticContact CD1-CG 3.78Å; Y92-H103 AromaticContact CD1-ND1 3.53Å; Y92-H103 HydrophobicContact CE1-CB 4.05Å; Y92-V105 HydrophobicContact CD1-CB 4.33Å; Y92-V105 HydrophobicContact CD1-CG2 3.84Å; Y92-V105 HydrophobicContact CE1-CG2 4.2Å; Y92-V105 HydrophobicContact CG-CG2 4.48Å; Y92-W132 HydrophobicContact CD1-CE3 4.1Å; Y92-W132 HydrophobicContact CD1-CZ3 4.41Å; Y92-W132 AromaticContact CD2-CE3 3.69Å; Y92-W132 HydrophobicContact CD2-CE3 3.69Å; Y92-W132 AromaticContact CD2-CZ3 3.68Å; Y92-W132 HydrophobicContact CD2-CZ3 3.68Å; Y92-W132 HydrophobicContact CE1-CE3 4.01Å; Y92-W132 AromaticContact CE2-CE3 3.63Å; Y92-W132 HydrophobicContact CE2-CE3 3.63Å; Y92-W132 HydrophobicContact CE2-CZ3 4.09Å; Y92-W132 AromaticContact CG-CE3 3.96Å; Y92-W132 HydrophobicContact CG-CE3 3.96Å; Y92-W132 AromaticContact CG-CZ3 3.89Å; Y92-W132 HydrophobicContact CG-CZ3 3.89Å; Y92-W132 AromaticContact CZ-CE3 3.8Å; Y92-W132 PolarHBondContact OH-O 3.09Å; Y92-A135 HydrophobicContact CE1-CB 3.9Å; Y92-A135 PolarHBondContact OH-O 2.8Å; Y92-A135 VanDerWaalsContact OH-O 3.06Å; Y92-P137 HydrophobicContact CE2-CB 3.95Å; Y92-P137 HydrophobicContact CE2-CG 4.14Å; Y92-W139 HydrophobicContact CE2-CH2 4.46Å; Y92-I161 HydrophobicContact CE2-CD1 3.97Å
93	S	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-56.9	-46	168.8	-70.1	0	0	0	0	112.2	I82 P89 N90 V95 T96 G97 L98 H103	I82-S93 WeakPolarHBondContact CD1-OG 3.39Å; I82-S93 WeakPolarHBondContact CG1-OG 3.38Å; P89-S93 WeakPolarHBondContact O-CB 3.47Å; P89-S93 PolarHBondContact O-N 3.41Å; P89-S93 PolarHBondContact O-OG 3.21Å; N90-S93 WeakPolarHBondContact O-CB 3.5Å; N90-S93 PolarHBondContact O-N 2.63Å; S93-V95 PolarHBondContact O-N 3.12Å; S93-T96 PolarHBondContact O-N 3.47Å; S93-G97 WeakPolarHBondContact O-CA 3.31Å; S93-G97 PolarHBondContact O-N 3.34Å; S93-L98 WeakPolarHBondContact CB-O 3.49Å; S93-L98 PolarHBondContact OG-O 3.23Å; S93-H103 PolarHBondContact OG-NE2 3.19Å
94	M	98.9	Very high	98.6	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.02	4%	0.041	C	C	.	.	H	α-helix	trans	-56.9	-34.9	179.8	-76.4	-167.3	-82	0	0	113.3	N90 H91 Y92 W154 T253 D255 L390 M394	N90-M94 WeakPolarHBondContact O-CG 3.49Å; N90-M94 PolarHBondContact O-N 2.68Å; H91-M94 HydrophobicContact CB-CE 4.49Å; Y92-M94 PolarHBondContact O-N 2.84Å; M94-W154 HydrophobicContact CB-CZ2 4.23Å; M94-W154 HydrophobicContact CE-CH2 3.92Å; M94-W154 HydrophobicContact CE-CZ2 3.84Å; M94-W154 HydrophobicContact SD-CH2 4.43Å; M94-W154 HydrophobicContact SD-CZ2 4.48Å; M94-T253 HydrophobicContact CE-CG2 4.41Å; M94-T253 HydrophobicContact SD-CG2 3.6Å; M94-D255 HydrophobicContact CE-CB 3.77Å; M94-L390 HydrophobicContact CB-CD2 4.34Å; M94-L390 HydrophobicContact CG-CD2 4.19Å; M94-L390 HydrophobicContact SD-CD2 4.18Å; M94-M394 WeakPolarHBondContact O-CE 3.25Å
95	V	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-99.7	0.8	-176.4	-59.9	0	0	0	0	114.2	L47 Y92 S93 P137 L138 W139 W154 Y391	L47-V95 HydrophobicContact CD2-CG1 4.39Å; Y92-V95 HydrophobicContact CD2-CG2 3.99Å; Y92-V95 WeakPolarHBondContact O-CG2 3.44Å; Y92-V95 PolarHBondContact O-N 2.71Å; S93-V95 PolarHBondContact O-N 3.12Å; V95-P137 HydrophobicContact CG2-CB 4.02Å; V95-P137 CarbonylContact O-C 3.58Å; V95-P137 WeakPolarHBondContact O-CA 3.23Å; V95-L138 WeakPolarHBondContact O-CB 3.29Å; V95-L138 PolarHBondContact O-N 2.96Å; V95-W139 HydrophobicContact CB-CE3 4.46Å; V95-W139 HydrophobicContact CB-CZ3 3.95Å; V95-W139 HydrophobicContact CG1-CZ3 4.06Å; V95-W139 HydrophobicContact CG2-CH2 4.04Å; V95-W139 HydrophobicContact CG2-CZ3 3.65Å; V95-W154 HydrophobicContact CG1-CZ2 3.9Å; V95-Y391 VanDerWaalsContact O-CD2 3.28Å; V95-Y391 WeakPolarHBondContact O-CD2 3.3Å; V95-Y391 WeakPolarHBondContact O-CE2 3.39Å
96	T	98.9	Very high	98.7	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.025	4%	0.042	C	C	.	.	H	α-helix	trans	-123.9	-22.9	177.5	58.2	0	0	0	0	113.5	Y92 S93 L98 A135 P137 Y391	Y92-T96 HydrophobicContact CD1-CG2 4.22Å; Y92-T96 HydrophobicContact CD2-CG2 4.45Å; Y92-T96 HydrophobicContact CE1-CG2 4.07Å; Y92-T96 HydrophobicContact CE2-CG2 4.26Å; Y92-T96 HydrophobicContact CG-CG2 4.41Å; Y92-T96 WeakPolarHBondContact O-CB 3.41Å; Y92-T96 WeakPolarHBondContact O-CG2 3.39Å; Y92-T96 PolarHBondContact O-N 3.02Å; Y92-T96 VanDerWaalsContact O-N 3.14Å; Y92-T96 PolarHBondContact O-OG1 3.28Å; S93-T96 PolarHBondContact O-N 3.47Å; T96-L98 PolarHBondContact O-N 3.47Å; T96-L98 PolarHBondContact OG1-N 3.4Å; T96-A135 HydrophobicContact CG2-CB 3.69Å; T96-P137 HydrophobicContact CG2-CB 4.3Å; T96-Y391 VanDerWaalsContact C-CG 3.43Å; T96-Y391 WeakPolarHBondContact O-CD1 3.23Å
97	G	98.8	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.			trans	71	13	-173	0	0	0	0	0	113.7	S93 N405 N406 G407	S93-G97 WeakPolarHBondContact O-CA 3.31Å; S93-G97 PolarHBondContact O-N 3.34Å; G97-N405 WeakPolarHBondContact O-CB 3.34Å; G97-N406 WeakPolarHBondContact O-CA 3.42Å; G97-N406 WeakPolarHBondContact O-CB 3.27Å; G97-N406 PolarHBondContact O-N 3.22Å; G97-G407 PolarHBondContact O-N 3.02Å
98	L	98.9	Very high	98.6	Very high	19 Å²	19	8 Å²	8	10%	0.099	4%	0.042	C	C	.	.			trans	-103.1	157.1	-175.7	-68.2	172	0	0	0	111.1	S93 T96 T102 H103 A135 N405 N406	S93-L98 WeakPolarHBondContact CB-O 3.49Å; S93-L98 PolarHBondContact OG-O 3.23Å; T96-L98 PolarHBondContact O-N 3.47Å; T96-L98 PolarHBondContact OG1-N 3.4Å; L98-T102 HydrophobicContact CD1-CG2 4.28Å; L98-T102 HydrophobicContact CD2-CG2 3.8Å; L98-T102 HydrophobicContact CG-CG2 4.49Å; L98-H103 HydrophobicContact CB-CB 3.99Å; L98-H103 HydrophobicContact CD1-CB 4.12Å; L98-H103 PolarHBondContact O-CD2 2.9Å; L98-A135 HydrophobicContact CD1-CB 3.58Å; L98-N405 HydrophobicContact CD2-CB 4.37Å; L98-N406 VanDerWaalsContact CA-OD1 3.27Å; L98-N406 WeakPolarHBondContact CA-OD1 3.24Å; L98-N406 WeakPolarHBondContact CD2-OD1 3.38Å
99	Y	98.9	Very high	98.6	Very high	22 Å²	22	7.8 Å²	7.8	9%	0.086	4%	0.042	C	C	.	.			trans	-79	158.2	165.3	-66.9	-68.1	0	0	0	111.8	I82 E101 T102 H103 H323 R386 V388 N406	I82-Y99 HydrophobicContact CB-CD1 4.21Å; I82-Y99 HydrophobicContact CG2-CD1 3.64Å; I82-Y99 HydrophobicContact CG2-CE1 4.02Å; Y99-E101 VanDerWaalsContact C-N 3.27Å; Y99-E101 PolarHBondContact O-N 3.04Å; Y99-T102 PolarHBondContact O-N 2.78Å; Y99-H103 VanDerWaalsContact C-CD2 3.42Å; Y99-H103 PolarHBondContact O-CD2 3.42Å; Y99-H103 PolarHBondContact O-N 3.38Å; Y99-H323 HydrophobicContact CD1-CB 3.79Å; Y99-H323 HydrophobicContact CD2-CB 3.52Å; Y99-H323 AromaticContact CD2-CD2 3.77Å; Y99-H323 AromaticContact CD2-CG 3.47Å; Y99-H323 VanDerWaalsContact CD2-CG 3.47Å; Y99-H323 HydrophobicContact CE1-CB 4.27Å; Y99-H323 AromaticContact CE1-CD2 3.73Å; Y99-H323 HydrophobicContact CE2-CB 4.04Å; Y99-H323 AromaticContact CE2-CD2 3.31Å; Y99-H323 WeakPolarHBondContact CE2-CD2 3.47Å; Y99-H323 AromaticContact CE2-CG 3.5Å; Y99-H323 VanDerWaalsContact CE2-CG 3.5Å; Y99-H323 AromaticContact CE2-ND1 3.99Å; Y99-H323 AromaticContact CE2-NE2 3.69Å; Y99-H323 HydrophobicContact CG-CB 3.39Å; Y99-H323 AromaticContact CG-CG 3.84Å; Y99-H323 AromaticContact CZ-CD2 3.29Å; Y99-H323 AromaticContact CZ-CG 3.9Å; Y99-H323 AromaticContact CZ-NE2 3.84Å; Y99-R386 PolarHBondContact OH-NH1 3.22Å; Y99-V388 HydrophobicContact CD1-CG1 4.08Å; Y99-V388 HydrophobicContact CE1-CG1 3.98Å; Y99-V388 HydrophobicContact CE1-CG2 4.48Å; Y99-N406 HydrophobicContact CD2-CB 3.6Å; Y99-N406 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N406 HydrophobicContact CE2-CB 3.5Å; Y99-N406 PolarHBondContact N-OD1 2.89Å
100	A	98.5	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-45.4	-47.7	177.6	0	0	0	0	0	113.3	I82 T102 G104 V106 Y324	I82-A100 HydrophobicContact CD1-CB 3.55Å; A100-T102 PolarHBondContact O-N 3.06Å; A100-G104 PolarHBondContact O-N 2.8Å; A100-V106 HydrophobicContact CB-CG1 4.44Å; A100-V106 WeakPolarHBondContact O-CG1 3.4Å; A100-Y324 HydrophobicContact CB-CD2 3.88Å; A100-Y324 HydrophobicContact CB-CE2 3.96Å
101	E	98.4	Very high	98.5	Very high	19 Å²	19	10.1 Å²	10.1	9%	0.089	5%	0.051	C	C	.	.	H	α-helix	trans	-63.2	-25	-179	72.5	-174.7	174.6	0	0	113.7	Y99 H323 Y324 Q325 H326 N327 I330	Y99-E101 VanDerWaalsContact C-N 3.27Å; Y99-E101 PolarHBondContact O-N 3.04Å; E101-H323 WeakPolarHBondContact CB-O 3.44Å; E101-H323 WeakPolarHBondContact CG-O 3.49Å; E101-H323 WeakPolarHBondContact OE1-CA 3.32Å; E101-H323 IonicContact OE1-ND1 3.73Å; E101-H323 VanDerWaalsContact OE2-C 3.26Å; E101-Y324 PolarHBondContact OE2-N 2.85Å; E101-Q325 PolarHBondContact OE2-N 2.77Å; E101-H326 HydrophobicContact CG-CB 4.42Å; E101-H326 IonicContact OE1-CD2 3.53Å; E101-H326 IonicContact OE2-CD2 3.51Å; E101-H326 PolarHBondContact OE2-CD2 3.17Å; E101-H326 IonicContact OE2-CG 2.73Å; E101-H326 PolarHBondContact OE2-N 3.4Å; E101-N327 HydrophobicContact CB-CB 4.33Å; E101-N327 WeakPolarHBondContact O-CB 3.3Å; E101-N327 PolarHBondContact O-ND2 2.93Å; E101-I330 HydrophobicContact CB-CD1 4.01Å
102	T	98.6	Very high	98.5	Very high	61 Å²	61	10.4 Å²	10.4	37%	0.374	5%	0.052	S	C	.	.	H	α-helix	trans	-93.7	-40.3	-178.5	-50.2	0	0	0	0	112.2	L98 Y99 A100 G104	L98-T102 HydrophobicContact CD1-CG2 4.28Å; L98-T102 HydrophobicContact CD2-CG2 3.8Å; L98-T102 HydrophobicContact CG-CG2 4.49Å; Y99-T102 PolarHBondContact O-N 2.78Å; A100-T102 PolarHBondContact O-N 3.06Å; T102-G104 VanDerWaalsContact C-N 3.34Å
103	H	98.6	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-85.2	-4.4	178.6	67.4	65.9	0	0	0	114.3	P89 Y92 S93 L98 Y99 V105 A135	P89-H103 PolarHBondContact O-CE1 3.11Å; P89-H103 PolarHBondContact O-NE2 3.2Å; Y92-H103 HydrophobicContact CD1-CB 3.88Å; Y92-H103 AromaticContact CD1-CG 3.78Å; Y92-H103 AromaticContact CD1-ND1 3.53Å; Y92-H103 HydrophobicContact CE1-CB 4.05Å; S93-H103 PolarHBondContact OG-NE2 3.19Å; L98-H103 HydrophobicContact CB-CB 3.99Å; L98-H103 HydrophobicContact CD1-CB 4.12Å; L98-H103 PolarHBondContact O-CD2 2.9Å; Y99-H103 VanDerWaalsContact C-CD2 3.42Å; Y99-H103 PolarHBondContact O-CD2 3.42Å; Y99-H103 PolarHBondContact O-N 3.38Å; H103-V105 VanDerWaalsContact C-N 3.26Å; H103-V105 PolarHBondContact CE1-O 3.03Å; H103-V105 PolarHBondContact ND1-N 3.37Å; H103-V105 PolarHBondContact O-N 3.36Å; H103-A135 HydrophobicContact CB-CB 3.59Å
104	G	98.3	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	78	-1.7	168	0	0	0	0	0	116.5	A100 T102 R329	A100-G104 PolarHBondContact O-N 2.8Å; T102-G104 VanDerWaalsContact C-N 3.34Å; G104-R329 WeakPolarHBondContact O-CD 3.42Å; G104-R329 PolarHBondContact O-NH1 3.44Å
105	V	98.5	Very high	97.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.			trans	-101.8	82	175.1	-176.3	0	0	0	0	106.6	P89 Y92 H103 M110 W132	P89-V105 WeakPolarHBondContact CA-O 3.42Å; P89-V105 WeakPolarHBondContact CB-O 3.43Å; P89-V105 WeakPolarHBondContact CG-O 3.32Å; Y92-V105 HydrophobicContact CD1-CB 4.33Å; Y92-V105 HydrophobicContact CD1-CG2 3.84Å; Y92-V105 HydrophobicContact CE1-CG2 4.2Å; Y92-V105 HydrophobicContact CG-CG2 4.48Å; H103-V105 VanDerWaalsContact C-N 3.26Å; H103-V105 PolarHBondContact CE1-O 3.03Å; H103-V105 PolarHBondContact ND1-N 3.37Å; H103-V105 PolarHBondContact O-N 3.36Å; V105-M110 HydrophobicContact CG1-CE 4.11Å; V105-W132 HydrophobicContact CG1-CZ3 4.48Å; V105-W132 HydrophobicContact CG2-CD2 4.15Å; V105-W132 HydrophobicContact CG2-CE3 3.68Å; V105-W132 HydrophobicContact CG2-CZ3 4.01Å
106	V	98.3	Very high	97.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.152	C	C	.	.			trans	-86.2	-26.4	-167	-58.2	0	0	0	0	112.9	P89 A100 M110 Y324 N327 R329 I330	P89-V106 VanDerWaalsContact CG-C 3.49Å; P89-V106 WeakPolarHBondContact CG-O 3.43Å; A100-V106 HydrophobicContact CB-CG1 4.44Å; A100-V106 WeakPolarHBondContact O-CG1 3.4Å; V106-M110 HydrophobicContact CB-SD 4.39Å; V106-M110 HydrophobicContact CG2-CG 3.91Å; V106-M110 HydrophobicContact CG2-SD 3.65Å; V106-M110 PolarHBondContact N-SD 3.11Å; V106-Y324 HydrophobicContact CB-CE2 3.78Å; V106-Y324 WeakPolarHBondContact O-CE2 3.42Å; V106-Y324 PolarHBondContact O-OH 2.97Å; V106-Y324 VanDerWaalsContact O-OH 3.09Å; V106-N327 HydrophobicContact CG1-CB 4.07Å; V106-R329 HydrophobicContact CG2-CB 3.72Å; V106-I330 HydrophobicContact CB-CG1 4.01Å; V106-I330 HydrophobicContact CG1-CD1 4.15Å; V106-I330 HydrophobicContact CG1-CG1 3.87Å; V106-I330 HydrophobicContact CG2-CG1 4.17Å
107	A	98	Very high	97.7	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	16%	0.164	C	C	.	.			trans	-150	172.1	179.6	0	0	0	0	0	111.7	I84 E109 M110 D282	I84-A107 HydrophobicContact CD1-CB 3.91Å; A107-E109 VanDerWaalsContact C-N 3.31Å; A107-E109 VanDerWaalsContact CB-O 3.24Å; A107-E109 WeakPolarHBondContact CB-O 3.4Å; A107-M110 HydrophobicContact CB-CG 3.96Å; A107-M110 WeakPolarHBondContact O-CG 3.08Å; A107-D282 HydrophobicContact CB-CB 4.27Å; A107-D282 VanDerWaalsContact CB-CG 3.46Å; A107-D282 WeakPolarHBondContact CB-OD2 3.47Å
108	N	97.7	Very high	97.6	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-73.8	-25.8	171.7	-73.7	6.6	0	0	0	111.8	T87 Y88 P89 F119 M121	T87-N108 PolarHBondContact N-OD1 2.77Å; T87-N108 PolarHBondContact OG1-ND2 3.41Å; Y88-N108 WeakPolarHBondContact CB-OD1 3.24Å; Y88-N108 PolarHBondContact N-OD1 3.01Å; P89-N108 WeakPolarHBondContact CD-OD1 3.44Å; N108-F119 WeakPolarHBondContact O-CD1 3.36Å; N108-F119 WeakPolarHBondContact O-CE1 3.25Å; N108-M121 HydrophobicContact CB-CB 4.5Å; N108-M121 HydrophobicContact CB-CG 4.25Å; N108-M121 HydrophobicContact CB-SD 3.62Å; N108-M121 PolarHBondContact ND2-SD 2.98Å; N108-M121 PolarHBondContact O-N 3.24Å; N108-M121 VanDerWaalsContact O-N 3.12Å
109	E	98.1	Very high	97.6	Very high	20 Å²	20	31.8 Å²	31.8	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.5	170.9	-49.5	-65.2	151.2	0	0	108.5	A107 F119 S120 V281 K283	A107-E109 VanDerWaalsContact C-N 3.31Å; A107-E109 VanDerWaalsContact CB-O 3.24Å; A107-E109 WeakPolarHBondContact CB-O 3.4Å; E109-F119 WeakPolarHBondContact CA-O 3.24Å; E109-S120 VanDerWaalsContact CD-OG 3.31Å; E109-S120 PolarHBondContact OE1-OG 3Å; E109-S120 VanDerWaalsContact OE2-CA 3.26Å; E109-S120 WeakPolarHBondContact OE2-CA 3.32Å; E109-S120 WeakPolarHBondContact OE2-CB 3.46Å; E109-S120 PolarHBondContact OE2-OG 3.48Å; E109-V281 WeakPolarHBondContact CB-O 3.34Å; E109-K283 HydrophobicContact CG-CD 3.69Å; E109-K283 HydrophobicContact CG-CG 3.95Å; E109-K283 WeakPolarHBondContact OE1-CE 3.38Å; E109-K283 IonicContact OE1-NZ 2.78Å; E109-K283 PolarHBondContact OE1-NZ 3.22Å
110	M	97.8	Very high	97.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.4	-177.3	-54.5	178.2	-81.5	0	0	111.9	V105 V106 A107 S118 F119 W131	V105-M110 HydrophobicContact CG1-CE 4.11Å; V106-M110 HydrophobicContact CB-SD 4.39Å; V106-M110 HydrophobicContact CG2-CG 3.91Å; V106-M110 HydrophobicContact CG2-SD 3.65Å; V106-M110 PolarHBondContact N-SD 3.11Å; A107-M110 HydrophobicContact CB-CG 3.96Å; A107-M110 WeakPolarHBondContact O-CG 3.08Å; M110-S118 CarbonylContact O-C 3.58Å; M110-S118 WeakPolarHBondContact O-CA 3.13Å; M110-F119 HydrophobicContact CB-CB 4.01Å; M110-F119 HydrophobicContact CE-CB 3.91Å; M110-F119 HydrophobicContact CE-CD1 3.39Å; M110-F119 HydrophobicContact CE-CD2 3.88Å; M110-F119 HydrophobicContact CE-CE1 3.74Å; M110-F119 HydrophobicContact CE-CE2 4.15Å; M110-F119 HydrophobicContact CE-CG 3.46Å; M110-F119 VanDerWaalsContact CE-CG 3.46Å; M110-F119 HydrophobicContact CE-CZ 4.09Å; M110-F119 HydrophobicContact CG-CD1 4.48Å; M110-F119 PolarHBondContact N-O 3.2Å; M110-F119 PolarHBondContact O-N 2.87Å; M110-W131 HydrophobicContact CB-CZ3 4.06Å; M110-W131 HydrophobicContact CE-CE3 3.91Å; M110-W131 HydrophobicContact CE-CZ3 4.43Å
111	Y	98.3	Very high	97.3	Very high	46 Å²	46	34.9 Å²	34.9	18%	0.18	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.1	167.7	174.6	-105.6	0	0	0	109.2	P113 N116 L117 L290 M331	Y111-P113 HydrophobicContact CD1-CB 4.36Å; Y111-P113 HydrophobicContact CE1-CB 3.79Å; Y111-P113 WeakPolarHBondContact O-CD 3.07Å; Y111-N116 PolarHBondContact OH-OD1 3.14Å; Y111-L117 WeakPolarHBondContact CA-O 3.44Å; Y111-L117 WeakPolarHBondContact CD2-O 3.34Å; Y111-L290 HydrophobicContact CD1-CD2 3.65Å; Y111-L290 HydrophobicContact CE1-CD2 3.54Å; Y111-M331 HydrophobicContact CD1-CE 4.33Å; Y111-M331 HydrophobicContact CD1-SD 4.48Å; Y111-M331 WeakPolarHBondContact O-CE 3.39Å
112	D	98	Very high	97.1	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	104.4	175.9	-168.6	-48.7	0	0	0	108.6	A114 L115 N116 L117 W131 R329	D112-A114 PolarHBondContact O-N 3.33Å; D112-A114 WeakPolarHBondContact OD1-CB 3.09Å; D112-A114 PolarHBondContact OD1-N 2.93Å; D112-L115 HydrophobicContact CB-CB 4.12Å; D112-L115 HydrophobicContact CB-CD1 4.3Å; D112-L115 HydrophobicContact CB-CG 4.33Å; D112-L115 PolarHBondContact O-N 2.91Å; D112-L115 PolarHBondContact OD1-N 3.04Å; D112-N116 WeakPolarHBondContact O-CA 3.22Å; D112-N116 PolarHBondContact O-N 2.79Å; D112-L117 PolarHBondContact N-O 3.35Å; D112-L117 PolarHBondContact O-N 3.23Å; D112-W131 HydrophobicContact CB-CH2 3.58Å; D112-W131 HydrophobicContact CB-CZ3 3.75Å; D112-R329 HydrophobicContact CB-CG 4.11Å; D112-R329 IonicContact OD2-CZ 2.88Å; D112-R329 IonicContact OD2-NE 3Å; D112-R329 PolarHBondContact OD2-NE 3.17Å; D112-R329 IonicContact OD2-NH2 3.98Å; D112-R329 PolarHBondContact OD2-NH2 2.76Å
113	P	95.6	Very high	96.9	Very high	66 Å²	66	41.2 Å²	41.2	43%	0.429	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.6	-175.5	28	-35.2	0	0	0	113.3	Y111 V328	Y111-P113 HydrophobicContact CD1-CB 4.36Å; Y111-P113 HydrophobicContact CE1-CB 3.79Å; Y111-P113 WeakPolarHBondContact O-CD 3.07Å; P113-V328 WeakPolarHBondContact CD-O 3.47Å
114	A	94.3	Very high	96.8	Very high	84 Å²	84	47.6 Å²	47.6	69%	0.694	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-33	177.3	0	0	0	0	0	111.6	D112	D112-A114 PolarHBondContact O-N 3.33Å; D112-A114 WeakPolarHBondContact OD1-CB 3.09Å; D112-A114 PolarHBondContact OD1-N 2.93Å
115	L	94.6	Very high	96.8	Very high	72 Å²	72	49 Å²	49	38%	0.377	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.3	174.6	-58.4	178.9	0	0	0	113.3	D112 L117 R130	D112-L115 HydrophobicContact CB-CB 4.12Å; D112-L115 HydrophobicContact CB-CD1 4.3Å; D112-L115 HydrophobicContact CB-CG 4.33Å; D112-L115 PolarHBondContact O-N 2.91Å; D112-L115 PolarHBondContact OD1-N 3.04Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 HydrophobicContact CB-CB 4.28Å; L115-L117 HydrophobicContact CB-CD1 3.92Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.34Å; L115-R130 HydrophobicContact CD1-CB 4.35Å
116	N	96.2	Very high	96.7	Very high	115 Å²	115	49.4 Å²	49.4	62%	0.615	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	50.2	-167.6	-174.3	37.9	0	0	0	111.8	Y111 D112	Y111-N116 PolarHBondContact OH-OD1 3.14Å; D112-N116 WeakPolarHBondContact O-CA 3.22Å; D112-N116 PolarHBondContact O-N 2.79Å
117	L	97.1	Very high	96.6	Very high	53 Å²	53	52.9 Å²	52.9	28%	0.277	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.9	179.7	-64.3	174.7	0	0	0	110.3	Y111 D112 L115 R130 W131	Y111-L117 WeakPolarHBondContact CA-O 3.44Å; Y111-L117 WeakPolarHBondContact CD2-O 3.34Å; D112-L117 PolarHBondContact N-O 3.35Å; D112-L117 PolarHBondContact O-N 3.23Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 HydrophobicContact CB-CB 4.28Å; L115-L117 HydrophobicContact CB-CD1 3.92Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.34Å; L117-R130 VanDerWaalsContact CD1-NH2 3.35Å; L117-W131 HydrophobicContact CB-CH2 4.36Å; L117-W131 HydrophobicContact CB-CZ2 3.74Å; L117-W131 WeakPolarHBondContact O-CH2 3.44Å
118	S	97.8	Very high	96.6	Very high	82 Å²	82	54.8 Å²	54.8	57%	0.573	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	148.7	169.3	-57.2	0	0	0	0	110.8	M110	M110-S118 CarbonylContact O-C 3.58Å; M110-S118 WeakPolarHBondContact O-CA 3.13Å
119	F	98	Very high	96.6	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.3	170.9	178.7	-86.9	0	0	0	108.3	Y88 N108 E109 M110 S125 V126 W131 W132	Y88-F119 HydrophobicContact CD1-CE1 4.02Å; Y88-F119 AromaticContact CD1-CZ 3.59Å; Y88-F119 HydrophobicContact CD1-CZ 3.59Å; Y88-F119 HydrophobicContact CE1-CE1 4.35Å; Y88-F119 AromaticContact CE1-CZ 3.75Å; Y88-F119 HydrophobicContact CE1-CZ 3.75Å; N108-F119 WeakPolarHBondContact O-CD1 3.36Å; N108-F119 WeakPolarHBondContact O-CE1 3.25Å; E109-F119 WeakPolarHBondContact CA-O 3.24Å; M110-F119 HydrophobicContact CB-CB 4.01Å; M110-F119 HydrophobicContact CE-CB 3.91Å; M110-F119 HydrophobicContact CE-CD1 3.39Å; M110-F119 HydrophobicContact CE-CD2 3.88Å; M110-F119 HydrophobicContact CE-CE1 3.74Å; M110-F119 HydrophobicContact CE-CE2 4.15Å; M110-F119 HydrophobicContact CE-CG 3.46Å; M110-F119 VanDerWaalsContact CE-CG 3.46Å; M110-F119 HydrophobicContact CE-CZ 4.09Å; M110-F119 HydrophobicContact CG-CD1 4.48Å; M110-F119 PolarHBondContact N-O 3.2Å; M110-F119 PolarHBondContact O-N 2.87Å; F119-S125 WeakPolarHBondContact CA-OG 3.19Å; F119-V126 HydrophobicContact CE1-CG1 4.36Å; F119-V126 HydrophobicContact CE2-CB 4.19Å; F119-V126 HydrophobicContact CE2-CG1 4.01Å; F119-V126 HydrophobicContact CZ-CB 4.32Å; F119-V126 HydrophobicContact CZ-CG1 3.79Å; F119-W131 HydrophobicContact CB-CD2 3.82Å; F119-W131 HydrophobicContact CB-CE3 3.94Å; F119-W131 HydrophobicContact CB-CG 4.45Å; F119-W131 HydrophobicContact CB-CH2 3.88Å; F119-W131 HydrophobicContact CB-CZ2 3.76Å; F119-W131 HydrophobicContact CB-CZ3 3.96Å; F119-W131 HydrophobicContact CD2-CB 3.88Å; F119-W131 AromaticContact CD2-CD1 3.59Å; F119-W131 AromaticContact CD2-CD2 3.72Å; F119-W131 HydrophobicContact CD2-CD2 3.72Å; F119-W131 HydrophobicContact CD2-CE3 4.33Å; F119-W131 AromaticContact CD2-CG 3.45Å; F119-W131 HydrophobicContact CD2-CG 3.45Å; F119-W131 VanDerWaalsContact CD2-CG 3.45Å; F119-W131 AromaticContact CD2-NE1 3.95Å; F119-W131 HydrophobicContact CE2-CB 4.01Å; F119-W131 HydrophobicContact CE2-CG 4.07Å; F119-W131 HydrophobicContact CG-CD2 4.18Å; F119-W131 HydrophobicContact CG-CE3 4.43Å; F119-W131 HydrophobicContact CG-CG 4.36Å; F119-W132 HydrophobicContact CE2-CZ2 4.16Å; F119-W132 HydrophobicContact CZ-CZ2 4.09Å
120	S	97.3	Very high	96.6	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.112	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	127.7	173.9	178.2	0	0	0	0	109.8	E109 E122 T123 S125 V126	E109-S120 VanDerWaalsContact CD-OG 3.31Å; E109-S120 PolarHBondContact OE1-OG 3Å; E109-S120 VanDerWaalsContact OE2-CA 3.26Å; E109-S120 WeakPolarHBondContact OE2-CA 3.32Å; E109-S120 WeakPolarHBondContact OE2-CB 3.46Å; E109-S120 PolarHBondContact OE2-OG 3.48Å; S120-E122 PolarHBondContact O-N 2.82Å; S120-E122 PolarHBondContact OG-N 3.24Å; S120-T123 PolarHBondContact O-N 2.86Å; S120-T123 PolarHBondContact O-OG1 3.23Å; S120-S125 PolarHBondContact N-OG 3.36Å; S120-S125 PolarHBondContact O-OG 3.47Å; S120-V126 WeakPolarHBondContact O-CG1 3.3Å
121	M	94.6	Very high	96.6	Very high	71 Å²	71	60.7 Å²	60.7	35%	0.35	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.2	176	72.5	178.9	-65.2	0	0	113.7	Y88 N108 T123	Y88-M121 HydrophobicContact CD2-CB 4.33Å; Y88-M121 HydrophobicContact CE2-CB 3.93Å; Y88-M121 HydrophobicContact CE2-CE 4.28Å; N108-M121 HydrophobicContact CB-CB 4.5Å; N108-M121 HydrophobicContact CB-CG 4.25Å; N108-M121 HydrophobicContact CB-SD 3.62Å; N108-M121 PolarHBondContact ND2-SD 2.98Å; N108-M121 PolarHBondContact O-N 3.24Å; N108-M121 VanDerWaalsContact O-N 3.12Å; M121-T123 VanDerWaalsContact C-N 3.33Å
122	E	92.8	Very high	96.6	Very high	145 Å²	145	58.6 Å²	58.6	68%	0.678	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	4.6	-179.9	-65	168.2	-177.5	0	0	113	S120 K283	S120-E122 PolarHBondContact O-N 2.82Å; S120-E122 PolarHBondContact OG-N 3.24Å; E122-K283 IonicContact OE1-NZ 3.69Å; E122-K283 PolarHBondContact OE1-NZ 3.17Å; E122-K283 IonicContact OE2-NZ 3.92Å; E122-K283 PolarHBondContact OE2-NZ 2.84Å
123	T	95.6	Very high	96.6	Very high	69 Å²	69	61.5 Å²	61.5	42%	0.423	34%	0.336	S	S	.	.	S	Bend	trans	-140.8	162.4	-170	68.6	0	0	0	0	113.5	S120 M121 S125 V126	S120-T123 PolarHBondContact O-N 2.86Å; S120-T123 PolarHBondContact O-OG1 3.23Å; M121-T123 VanDerWaalsContact C-N 3.33Å; T123-S125 PolarHBondContact O-N 3.38Å; T123-S125 WeakPolarHBondContact OG1-CB 3.38Å; T123-S125 PolarHBondContact OG1-N 3.17Å; T123-S125 PolarHBondContact OG1-OG 2.87Å; T123-V126 PolarHBondContact O-N 2.93Å
124	D	96.3	Very high	96.7	Very high	133 Å²	133	62.2 Å²	62.2	71%	0.711	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.3	-5.9	175	-66.2	-27.5	0	0	0	114.7	V126 Y127	D124-V126 PolarHBondContact O-N 3.15Å; D124-V126 VanDerWaalsContact O-N 3.17Å; D124-Y127 HydrophobicContact CB-CD2 4.06Å; D124-Y127 HydrophobicContact CB-CE2 4.4Å; D124-Y127 WeakPolarHBondContact O-CD2 3.35Å; D124-Y127 PolarHBondContact O-N 2.89Å; D124-Y127 VanDerWaalsContact O-N 3.12Å
125	S	97.1	Very high	96.8	Very high	30 Å²	30	58.5 Å²	58.5	21%	0.21	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22.3	174.4	65.7	0	0	0	0	113.1	F119 S120 T123 Y127 D128	F119-S125 WeakPolarHBondContact CA-OG 3.19Å; S120-S125 PolarHBondContact N-OG 3.36Å; S120-S125 PolarHBondContact O-OG 3.47Å; T123-S125 PolarHBondContact O-N 3.38Å; T123-S125 WeakPolarHBondContact OG1-CB 3.38Å; T123-S125 PolarHBondContact OG1-N 3.17Å; T123-S125 PolarHBondContact OG1-OG 2.87Å; S125-Y127 PolarHBondContact O-N 2.89Å; S125-D128 PolarHBondContact O-N 3.02Å
126	V	96.9	Very high	97	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.055	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.1	-29.1	174.3	-58.1	0	0	0	0	113.3	Y88 F119 S120 T123 D124 D128 W132 V159	Y88-V126 HydrophobicContact CE1-CB 4.41Å; Y88-V126 HydrophobicContact CE1-CG1 3.97Å; F119-V126 HydrophobicContact CE1-CG1 4.36Å; F119-V126 HydrophobicContact CE2-CB 4.19Å; F119-V126 HydrophobicContact CE2-CG1 4.01Å; F119-V126 HydrophobicContact CZ-CB 4.32Å; F119-V126 HydrophobicContact CZ-CG1 3.79Å; S120-V126 WeakPolarHBondContact O-CG1 3.3Å; T123-V126 PolarHBondContact O-N 2.93Å; D124-V126 PolarHBondContact O-N 3.15Å; D124-V126 VanDerWaalsContact O-N 3.17Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 PolarHBondContact O-N 2.97Å; V126-W132 PolarHBondContact O-NE1 2.84Å; V126-V159 WeakPolarHBondContact O-CG2 3.3Å
127	Y	97.4	Very high	97.2	Very high	73 Å²	73	51.3 Å²	51.3	29%	0.286	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-82	-6	-176.8	-56	-67.5	0	0	0	114.2	D124 S125 S129 V159 Q171	D124-Y127 HydrophobicContact CB-CD2 4.06Å; D124-Y127 HydrophobicContact CB-CE2 4.4Å; D124-Y127 WeakPolarHBondContact O-CD2 3.35Å; D124-Y127 PolarHBondContact O-N 2.89Å; D124-Y127 VanDerWaalsContact O-N 3.12Å; S125-Y127 PolarHBondContact O-N 2.89Å; Y127-S129 PolarHBondContact O-N 2.89Å; Y127-V159 HydrophobicContact CD1-CG2 4.44Å; Y127-Q171 HydrophobicContact CE1-CG 4.34Å; Y127-Q171 PolarHBondContact OH-NE2 3.43Å; Y127-Q171 VanDerWaalsContact OH-NE2 3.1Å
128	D	97.7	Very high	97.2	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.23	25%	0.253	C	S	.	.			trans	-75.5	108.3	173.2	-177.3	-10.9	0	0	0	109.9	S125 V126 R130 W131	S125-D128 PolarHBondContact O-N 3.02Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 PolarHBondContact O-N 2.97Å; D128-R130 PolarHBondContact O-N 3.27Å; D128-R130 VanDerWaalsContact OD1-CB 3.3Å; D128-R130 WeakPolarHBondContact OD1-CB 3.29Å; D128-R130 VanDerWaalsContact OD1-CG 3.29Å; D128-R130 WeakPolarHBondContact OD1-CG 3.28Å; D128-R130 IonicContact OD1-CZ 3.91Å; D128-R130 PolarHBondContact OD1-N 3.12Å; D128-R130 IonicContact OD1-NE 3.45Å; D128-R130 PolarHBondContact OD1-NE 2.83Å; D128-R130 IonicContact OD1-NH2 3.69Å; D128-R130 IonicContact OD2-CZ 3.93Å; D128-R130 IonicContact OD2-NE 3.64Å; D128-R130 PolarHBondContact OD2-NE 3.34Å; D128-R130 IonicContact OD2-NH2 3.36Å; D128-R130 PolarHBondContact OD2-NH2 3.42Å; D128-W131 VanDerWaalsContact O-CD1 3.27Å; D128-W131 PolarHBondContact O-N 3.14Å
129	S	97.4	Very high	97.3	Very high	34 Å²	34	44.9 Å²	44.9	24%	0.238	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.3	-21.6	-172.6	89.7	0	0	0	0	113.2	Y127 W131 W132 E133 L160	Y127-S129 PolarHBondContact O-N 2.89Å; S129-W131 PolarHBondContact O-N 3.21Å; S129-W132 WeakPolarHBondContact O-CA 3.27Å; S129-W132 PolarHBondContact O-N 3.11Å; S129-E133 WeakPolarHBondContact CB-OE1 3.5Å; S129-E133 WeakPolarHBondContact O-CG 3.48Å; S129-E133 PolarHBondContact O-N 2.98Å; S129-E133 PolarHBondContact OG-OE1 3.07Å; S129-L160 WeakPolarHBondContact CB-O 3.28Å
130	R	97.4	Very high	97.3	Very high	123 Å²	123	44.7 Å²	44.7	46%	0.464	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.2	-22.7	177.5	-65.4	179.9	-72.9	-178.4	-3.5	113.9	L115 L117 D128 W132 R329	L115-R130 HydrophobicContact CD1-CB 4.35Å; L117-R130 VanDerWaalsContact CD1-NH2 3.35Å; D128-R130 PolarHBondContact O-N 3.27Å; D128-R130 VanDerWaalsContact OD1-CB 3.3Å; D128-R130 WeakPolarHBondContact OD1-CB 3.29Å; D128-R130 VanDerWaalsContact OD1-CG 3.29Å; D128-R130 WeakPolarHBondContact OD1-CG 3.28Å; D128-R130 IonicContact OD1-CZ 3.91Å; D128-R130 PolarHBondContact OD1-N 3.12Å; D128-R130 IonicContact OD1-NE 3.45Å; D128-R130 PolarHBondContact OD1-NE 2.83Å; D128-R130 IonicContact OD1-NH2 3.69Å; D128-R130 IonicContact OD2-CZ 3.93Å; D128-R130 IonicContact OD2-NE 3.64Å; D128-R130 PolarHBondContact OD2-NE 3.34Å; D128-R130 IonicContact OD2-NH2 3.36Å; D128-R130 PolarHBondContact OD2-NH2 3.42Å; R130-W132 VanDerWaalsContact C-N 3.3Å; R130-R329 PolarHBondContact O-NH2 3.11Å
131	W	98.2	Very high	97.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-71.9	-25.7	172.8	-63.7	108.6	0	0	0	113.2	M110 D112 L117 F119 D128 S129 R329	M110-W131 HydrophobicContact CB-CZ3 4.06Å; M110-W131 HydrophobicContact CE-CE3 3.91Å; M110-W131 HydrophobicContact CE-CZ3 4.43Å; D112-W131 HydrophobicContact CB-CH2 3.58Å; D112-W131 HydrophobicContact CB-CZ3 3.75Å; L117-W131 HydrophobicContact CB-CH2 4.36Å; L117-W131 HydrophobicContact CB-CZ2 3.74Å; L117-W131 WeakPolarHBondContact O-CH2 3.44Å; F119-W131 HydrophobicContact CB-CD2 3.82Å; F119-W131 HydrophobicContact CB-CE3 3.94Å; F119-W131 HydrophobicContact CB-CG 4.45Å; F119-W131 HydrophobicContact CB-CH2 3.88Å; F119-W131 HydrophobicContact CB-CZ2 3.76Å; F119-W131 HydrophobicContact CB-CZ3 3.96Å; F119-W131 HydrophobicContact CD2-CB 3.88Å; F119-W131 AromaticContact CD2-CD1 3.59Å; F119-W131 AromaticContact CD2-CD2 3.72Å; F119-W131 HydrophobicContact CD2-CD2 3.72Å; F119-W131 HydrophobicContact CD2-CE3 4.33Å; F119-W131 AromaticContact CD2-CG 3.45Å; F119-W131 HydrophobicContact CD2-CG 3.45Å; F119-W131 VanDerWaalsContact CD2-CG 3.45Å; F119-W131 AromaticContact CD2-NE1 3.95Å; F119-W131 HydrophobicContact CE2-CB 4.01Å; F119-W131 HydrophobicContact CE2-CG 4.07Å; F119-W131 HydrophobicContact CG-CD2 4.18Å; F119-W131 HydrophobicContact CG-CE3 4.43Å; F119-W131 HydrophobicContact CG-CG 4.36Å; D128-W131 VanDerWaalsContact O-CD1 3.27Å; D128-W131 PolarHBondContact O-N 3.14Å; S129-W131 PolarHBondContact O-N 3.21Å; W131-R329 VanDerWaalsContact CE3-CZ 3.5Å; W131-R329 HydrophobicContact CZ3-CG 4.17Å; W131-R329 PolarHBondContact O-NH1 3.15Å
132	W	98.3	Very high	97.5	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-20.2	-167	-51.7	89	0	0	0	114.3	Y88 Y92 V105 F119 V126 S129 R130 Q134 A135 P155 V159 I161	Y88-W132 AromaticContact CD1-CH2 3.38Å; Y88-W132 HydrophobicContact CD1-CH2 3.38Å; Y88-W132 AromaticContact CD1-CZ2 3.8Å; Y88-W132 HydrophobicContact CD1-CZ2 3.8Å; Y88-W132 HydrophobicContact CD1-CZ3 4.44Å; Y88-W132 AromaticContact CE1-CH2 3.62Å; Y88-W132 HydrophobicContact CE1-CH2 3.62Å; Y88-W132 AromaticContact CE1-CZ2 3.71Å; Y88-W132 HydrophobicContact CE1-CZ2 3.71Å; Y88-W132 HydrophobicContact CG-CH2 4.46Å; Y92-W132 HydrophobicContact CD1-CE3 4.1Å; Y92-W132 HydrophobicContact CD1-CZ3 4.41Å; Y92-W132 AromaticContact CD2-CE3 3.69Å; Y92-W132 HydrophobicContact CD2-CE3 3.69Å; Y92-W132 AromaticContact CD2-CZ3 3.68Å; Y92-W132 HydrophobicContact CD2-CZ3 3.68Å; Y92-W132 HydrophobicContact CE1-CE3 4.01Å; Y92-W132 AromaticContact CE2-CE3 3.63Å; Y92-W132 HydrophobicContact CE2-CE3 3.63Å; Y92-W132 HydrophobicContact CE2-CZ3 4.09Å; Y92-W132 AromaticContact CG-CE3 3.96Å; Y92-W132 HydrophobicContact CG-CE3 3.96Å; Y92-W132 AromaticContact CG-CZ3 3.89Å; Y92-W132 HydrophobicContact CG-CZ3 3.89Å; Y92-W132 AromaticContact CZ-CE3 3.8Å; Y92-W132 PolarHBondContact OH-O 3.09Å; V105-W132 HydrophobicContact CG1-CZ3 4.48Å; V105-W132 HydrophobicContact CG2-CD2 4.15Å; V105-W132 HydrophobicContact CG2-CE3 3.68Å; V105-W132 HydrophobicContact CG2-CZ3 4.01Å; F119-W132 HydrophobicContact CE2-CZ2 4.16Å; F119-W132 HydrophobicContact CZ-CZ2 4.09Å; V126-W132 PolarHBondContact O-NE1 2.84Å; S129-W132 WeakPolarHBondContact O-CA 3.27Å; S129-W132 PolarHBondContact O-N 3.11Å; R130-W132 VanDerWaalsContact C-N 3.3Å; W132-Q134 PolarHBondContact O-N 2.9Å; W132-A135 PolarHBondContact O-N 2.89Å; W132-P155 HydrophobicContact CH2-CB 4.26Å; W132-V159 HydrophobicContact CG-CG1 4.36Å; W132-V159 HydrophobicContact CZ2-CG2 4.49Å; W132-I161 HydrophobicContact CB-CD1 3.7Å; W132-I161 HydrophobicContact CB-CG1 3.73Å; W132-I161 HydrophobicContact CB-CG2 4.36Å; W132-I161 HydrophobicContact CD2-CD1 4.3Å; W132-I161 HydrophobicContact CE3-CD1 4.33Å; W132-I161 HydrophobicContact CG-CD1 4.08Å; W132-I161 HydrophobicContact CG-CG1 4.28Å
133	E	97.2	Very high	97.7	Very high	67 Å²	67	36.1 Å²	36.1	31%	0.313	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-3.4	-179	-65.2	-58.8	136.6	0	0	115.3	S129 A135 H162	S129-E133 WeakPolarHBondContact CB-OE1 3.5Å; S129-E133 WeakPolarHBondContact O-CG 3.48Å; S129-E133 PolarHBondContact O-N 2.98Å; S129-E133 PolarHBondContact OG-OE1 3.07Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-H162 PolarHBondContact O-CE1 3.49Å; E133-H162 PolarHBondContact OE1-N 2.8Å; E133-H162 WeakPolarHBondContact OE2-CA 3.49Å; E133-H162 IonicContact OE2-CE1 2.77Å; E133-H162 PolarHBondContact OE2-CE1 2.89Å; E133-H162 IonicContact OE2-CG 3.07Å; E133-H162 PolarHBondContact OE2-N 2.78Å; E133-H162 IonicContact OE2-ND1 2.77Å; E133-H162 PolarHBondContact OE2-ND1 2.91Å
134	Q	97.9	Very high	97.7	Very high	82 Å²	82	39.3 Å²	39.3	38%	0.383	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.8	176	-64.8	-178.9	25.3	0	0	112.8	W132 N327	W132-Q134 PolarHBondContact O-N 2.9Å; Q134-N327 PolarHBondContact OE1-ND2 2.86Å
135	A	98.1	Very high	97.7	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.176	C	C	.	.	S	Bend	trans	-143.1	153.4	176.2	0	0	0	0	0	113.4	Y92 T96 L98 H103 W132 E133 P137 H162	Y92-A135 HydrophobicContact CE1-CB 3.9Å; Y92-A135 PolarHBondContact OH-O 2.8Å; Y92-A135 VanDerWaalsContact OH-O 3.06Å; T96-A135 HydrophobicContact CG2-CB 3.69Å; L98-A135 HydrophobicContact CD1-CB 3.58Å; H103-A135 HydrophobicContact CB-CB 3.59Å; W132-A135 PolarHBondContact O-N 2.89Å; E133-A135 VanDerWaalsContact C-N 3.29Å; A135-P137 WeakPolarHBondContact O-CD 3.32Å; A135-H162 PolarHBondContact O-NE2 2.91Å
136	V	98.6	Very high	97.6	Very high	36 Å²	36	37.6 Å²	37.6	22%	0.218	19%	0.192	C	C	.	.			trans	-99.7	108.5	174.6	-174.9	0	0	0	0	109	V140 H162 L403	V136-V140 HydrophobicContact CG1-CB 3.84Å; V136-V140 HydrophobicContact CG1-CG1 3.73Å; V136-H162 VanDerWaalsContact CG2-NE2 3.3Å; V136-H162 WeakPolarHBondContact CG2-NE2 3.44Å; V136-L403 HydrophobicContact CB-CD1 3.45Å; V136-L403 VanDerWaalsContact CB-CD1 3.45Å; V136-L403 HydrophobicContact CG1-CD1 3.58Å; V136-L403 HydrophobicContact CG2-CD1 3.83Å
137	P	98.7	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.			trans	-73.1	160.7	178.8	29	-33.4	0	0	0	112	Y92 V95 T96 A135 W139 V140 T141 I161	Y92-P137 HydrophobicContact CE2-CB 3.95Å; Y92-P137 HydrophobicContact CE2-CG 4.14Å; V95-P137 HydrophobicContact CG2-CB 4.02Å; V95-P137 CarbonylContact O-C 3.58Å; V95-P137 WeakPolarHBondContact O-CA 3.23Å; T96-P137 HydrophobicContact CG2-CB 4.3Å; A135-P137 WeakPolarHBondContact O-CD 3.32Å; P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 HydrophobicContact CB-CD2 3.82Å; P137-W139 HydrophobicContact CB-CE3 3.87Å; P137-W139 HydrophobicContact CB-CH2 3.71Å; P137-W139 HydrophobicContact CB-CZ2 3.63Å; P137-W139 HydrophobicContact CB-CZ3 3.84Å; P137-W139 HydrophobicContact CG-CD2 3.91Å; P137-W139 HydrophobicContact CG-CE3 4.45Å; P137-W139 HydrophobicContact CG-CG 4.48Å; P137-W139 HydrophobicContact CG-CH2 4.07Å; P137-W139 HydrophobicContact CG-CZ2 3.44Å; P137-W139 VanDerWaalsContact CG-CZ2 3.44Å; P137-W139 PolarHBondContact O-N 2.9Å; P137-V140 HydrophobicContact CG-CG2 3.93Å; P137-V140 PolarHBondContact O-N 2.91Å; P137-T141 PolarHBondContact O-N 3.44Å; P137-T141 VanDerWaalsContact O-N 3.11Å; P137-T141 PolarHBondContact O-OG1 3.05Å; P137-I161 HydrophobicContact CG-CD1 4.13Å; P137-I161 HydrophobicContact CG-CG2 4.29Å
138	L	98.8	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-35.3	-171.4	-176.9	54.4	0	0	0	113.2	V95 V140 T141 V142 F199 Y391 M394 C395 L398 V400	V95-L138 WeakPolarHBondContact O-CB 3.29Å; V95-L138 PolarHBondContact O-N 2.96Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.21Å; L138-T141 WeakPolarHBondContact O-CB 3.42Å; L138-T141 PolarHBondContact O-N 2.7Å; L138-T141 VanDerWaalsContact O-N 3.12Å; L138-V142 HydrophobicContact CD1-CG2 3.97Å; L138-V142 HydrophobicContact CG-CG2 4.19Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.28Å; L138-V142 PolarHBondContact O-N 2.86Å; L138-F199 HydrophobicContact CB-CE1 3.85Å; L138-F199 HydrophobicContact CB-CZ 4.28Å; L138-F199 HydrophobicContact CD2-CD1 4.41Å; L138-F199 HydrophobicContact CD2-CE1 3.87Å; L138-F199 HydrophobicContact CD2-CE2 4.02Å; L138-F199 HydrophobicContact CD2-CZ 3.64Å; L138-F199 HydrophobicContact CG-CD1 4.13Å; L138-F199 HydrophobicContact CG-CE1 3.76Å; L138-F199 HydrophobicContact CG-CZ 4.08Å; L138-Y391 HydrophobicContact CB-CD2 4.15Å; L138-Y391 HydrophobicContact CB-CE2 3.95Å; L138-Y391 HydrophobicContact CD1-CD2 4.46Å; L138-Y391 HydrophobicContact CD1-CE2 3.96Å; L138-Y391 HydrophobicContact CG-CE2 4.45Å; L138-M394 HydrophobicContact CD2-CB 3.5Å; L138-M394 HydrophobicContact CD2-CE 3.7Å; L138-M394 HydrophobicContact CD2-CG 4.41Å; L138-M394 HydrophobicContact CD2-SD 4.1Å; L138-C395 VanDerWaalsContact CD1-SG 3.58Å; L138-L398 HydrophobicContact CD1-CD1 4.37Å; L138-L398 HydrophobicContact CD2-CD1 3.95Å; L138-L398 HydrophobicContact CG-CD1 4.25Å; L138-V400 HydrophobicContact CD1-CG1 4.27Å
139	W	98.7	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-40.5	175.8	56.1	91.1	0	0	0	113	Y92 V95 P137 T141 Q143 S149 G156 I161 P166 F199 I201	Y92-W139 HydrophobicContact CE2-CH2 4.46Å; V95-W139 HydrophobicContact CB-CE3 4.46Å; V95-W139 HydrophobicContact CB-CZ3 3.95Å; V95-W139 HydrophobicContact CG1-CZ3 4.06Å; V95-W139 HydrophobicContact CG2-CH2 4.04Å; V95-W139 HydrophobicContact CG2-CZ3 3.65Å; P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 HydrophobicContact CB-CD2 3.82Å; P137-W139 HydrophobicContact CB-CE3 3.87Å; P137-W139 HydrophobicContact CB-CH2 3.71Å; P137-W139 HydrophobicContact CB-CZ2 3.63Å; P137-W139 HydrophobicContact CB-CZ3 3.84Å; P137-W139 HydrophobicContact CG-CD2 3.91Å; P137-W139 HydrophobicContact CG-CE3 4.45Å; P137-W139 HydrophobicContact CG-CG 4.48Å; P137-W139 HydrophobicContact CG-CH2 4.07Å; P137-W139 HydrophobicContact CG-CZ2 3.44Å; P137-W139 VanDerWaalsContact CG-CZ2 3.44Å; P137-W139 PolarHBondContact O-N 2.9Å; W139-T141 VanDerWaalsContact C-N 3.34Å; W139-Q143 WeakPolarHBondContact O-CB 3.43Å; W139-Q143 WeakPolarHBondContact O-CG 3.42Å; W139-Q143 PolarHBondContact O-N 3.29Å; W139-S149 VanDerWaalsContact CB-OG 3.28Å; W139-S149 WeakPolarHBondContact CB-OG 3.3Å; W139-G156 WeakPolarHBondContact CZ2-O 3.14Å; W139-I161 HydrophobicContact CZ2-CD1 4.02Å; W139-P166 HydrophobicContact CB-CG 4.39Å; W139-P166 HydrophobicContact CD2-CG 4.37Å; W139-P166 HydrophobicContact CG-CG 3.97Å; W139-F199 HydrophobicContact CB-CD1 4.49Å; W139-I201 HydrophobicContact CD2-CD1 4.38Å; W139-I201 HydrophobicContact CE3-CD1 3.47Å; W139-I201 VanDerWaalsContact CE3-CD1 3.47Å; W139-I201 HydrophobicContact CH2-CD1 4.47Å; W139-I201 HydrophobicContact CZ3-CD1 3.51Å
140	V	98.5	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-38.8	174.2	180	0	0	0	0	110.5	V136 P137 L138 Q143 K144 V164	V136-V140 HydrophobicContact CG1-CB 3.84Å; V136-V140 HydrophobicContact CG1-CG1 3.73Å; P137-V140 HydrophobicContact CG-CG2 3.93Å; P137-V140 PolarHBondContact O-N 2.91Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.21Å; V140-Q143 PolarHBondContact O-N 3.46Å; V140-K144 HydrophobicContact CG1-CD 3.95Å; V140-K144 HydrophobicContact CG1-CG 4.45Å; V140-K144 WeakPolarHBondContact O-CB 3.47Å; V140-K144 VanDerWaalsContact O-CG 3.32Å; V140-K144 WeakPolarHBondContact O-CG 3.09Å; V140-K144 PolarHBondContact O-N 3.07Å; V140-V164 HydrophobicContact CB-CG1 4.49Å; V140-V164 HydrophobicContact CG1-CB 4.19Å; V140-V164 HydrophobicContact CG1-CG1 4.36Å; V140-V164 HydrophobicContact CG1-CG2 4.43Å; V140-V164 HydrophobicContact CG2-CB 4.01Å; V140-V164 HydrophobicContact CG2-CG1 4.03Å
141	T	98.1	Very high	97.8	Very high	11 Å²	11	27.5 Å²	27.5	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-49.2	178	-50.6	0	0	0	0	111.4	P137 L138 W139 Q143 K144 D145 V400 L403	P137-T141 PolarHBondContact O-N 3.44Å; P137-T141 VanDerWaalsContact O-N 3.11Å; P137-T141 PolarHBondContact O-OG1 3.05Å; L138-T141 WeakPolarHBondContact O-CB 3.42Å; L138-T141 PolarHBondContact O-N 2.7Å; L138-T141 VanDerWaalsContact O-N 3.12Å; W139-T141 VanDerWaalsContact C-N 3.34Å; T141-Q143 VanDerWaalsContact C-N 3.34Å; T141-Q143 PolarHBondContact O-N 2.98Å; T141-K144 PolarHBondContact O-N 2.76Å; T141-D145 PolarHBondContact O-N 3.22Å; T141-D145 VanDerWaalsContact O-N 3.14Å; T141-V400 HydrophobicContact CG2-CG2 3.94Å; T141-L403 HydrophobicContact CG2-CD1 4.26Å; T141-L403 HydrophobicContact CG2-CG 4.2Å
142	V	97.8	Very high	97.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-44.4	176.3	168.8	0	0	0	0	111.5	L138 D145 G146 G147 F199 L398 V400	L138-V142 HydrophobicContact CD1-CG2 3.97Å; L138-V142 HydrophobicContact CG-CG2 4.19Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.28Å; L138-V142 PolarHBondContact O-N 2.86Å; V142-D145 CarbonylContact O-C 3.5Å; V142-D145 PolarHBondContact O-N 3.48Å; V142-G146 PolarHBondContact O-N 3.36Å; V142-G147 WeakPolarHBondContact O-CA 3.47Å; V142-G147 PolarHBondContact O-N 3.23Å; V142-F199 HydrophobicContact CG2-CB 4.35Å; V142-L398 HydrophobicContact CG2-CD1 3.79Å; V142-V400 HydrophobicContact CG2-CG1 4.43Å
143	Q	97.2	Very high	97.8	Very high	40 Å²	40	27.6 Å²	27.6	19%	0.187	15%	0.147	C	C	.	.	H	α-helix	trans	-70.9	-35.3	-179.2	-78.3	171.1	-161.5	0	0	113.3	W139 V140 T141 D145 G146 S149 F165 T167	W139-Q143 WeakPolarHBondContact O-CB 3.43Å; W139-Q143 WeakPolarHBondContact O-CG 3.42Å; W139-Q143 PolarHBondContact O-N 3.29Å; V140-Q143 PolarHBondContact O-N 3.46Å; T141-Q143 VanDerWaalsContact C-N 3.34Å; T141-Q143 PolarHBondContact O-N 2.98Å; Q143-D145 PolarHBondContact O-N 3.37Å; Q143-G146 PolarHBondContact O-N 2.98Å; Q143-S149 PolarHBondContact OE1-OG 3.48Å; Q143-F165 PolarHBondContact NE2-O 3.21Å; Q143-T167 VanDerWaalsContact CD-OG1 3.29Å; Q143-T167 PolarHBondContact OE1-OG1 3.09Å
144	K	96.1	Very high	97.9	Very high	135 Å²	135	24.5 Å²	24.5	59%	0.587	13%	0.133	S	C	*	.	H	α-helix	trans	-65.9	-26.6	171.9	-75.1	174.7	179.5	173.3	0	112.3	V140 T141 G146	V140-K144 HydrophobicContact CG1-CD 3.95Å; V140-K144 HydrophobicContact CG1-CG 4.45Å; V140-K144 WeakPolarHBondContact O-CB 3.47Å; V140-K144 VanDerWaalsContact O-CG 3.32Å; V140-K144 WeakPolarHBondContact O-CG 3.09Å; V140-K144 PolarHBondContact O-N 3.07Å; T141-K144 PolarHBondContact O-N 2.76Å; K144-G146 VanDerWaalsContact C-N 3.29Å
145	D	95.7	Very high	97.9	Very high	75 Å²	75	21 Å²	21	40%	0.401	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	9.2	171.4	-158.9	38.1	0	0	0	112.9	R42 T141 V142 Q143 G147 V400	R42-D145 IonicContact CZ-OD2 3.77Å; R42-D145 IonicContact NH1-OD2 3.57Å; R42-D145 PolarHBondContact NH1-OD2 2.95Å; R42-D145 PolarHBondContact NH2-O 3.46Å; R42-D145 IonicContact NH2-OD1 2.75Å; R42-D145 IonicContact NH2-OD2 3.58Å; R42-D145 PolarHBondContact NH2-OD2 2.73Å; T141-D145 PolarHBondContact O-N 3.22Å; T141-D145 VanDerWaalsContact O-N 3.14Å; V142-D145 CarbonylContact O-C 3.5Å; V142-D145 PolarHBondContact O-N 3.48Å; Q143-D145 PolarHBondContact O-N 3.37Å; D145-G147 PolarHBondContact O-N 2.96Å; D145-V400 HydrophobicContact CB-CG2 3.76Å
146	G	95.3	Very high	97.9	Very high	53 Å²	53	20.8 Å²	20.8	55%	0.546	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	6.5	175.6	0	0	0	0	0	116.2	V142 Q143 K144	V142-G146 PolarHBondContact O-N 3.36Å; Q143-G146 PolarHBondContact O-N 2.98Å; K144-G146 VanDerWaalsContact C-N 3.29Å
147	G	96.4	Very high	97.9	Very high	6 Å²	6	19.1 Å²	19.1	6%	0.062	11%	0.105	C	C	.	.			trans	-78.9	-178.2	168.5	0	0	0	0	0	112.9	V142 D145 D198	V142-G147 WeakPolarHBondContact O-CA 3.47Å; V142-G147 PolarHBondContact O-N 3.23Å; D145-G147 PolarHBondContact O-N 2.96Å; G147-D198 WeakPolarHBondContact CA-OD2 3.38Å
148	R	98.1	Very high	97.9	Very high	61 Å²	61	19.9 Å²	19.9	23%	0.23	11%	0.109	C	C	.	.			trans	-128.7	149.1	178.8	-71.9	161.2	-174	63.6	-2.3	111.2	T167 G194 A196 V197 D198 F199	R148-T167 HydrophobicContact CB-CG2 4.34Å; R148-T167 HydrophobicContact CG-CG2 4.08Å; R148-G194 PolarHBondContact NE-O 2.79Å; R148-G194 PolarHBondContact NH2-O 2.88Å; R148-A196 VanDerWaalsContact CD-O 3.24Å; R148-A196 WeakPolarHBondContact CD-O 3.39Å; R148-V197 HydrophobicContact CB-CB 4.48Å; R148-V197 HydrophobicContact CB-CG1 4.33Å; R148-D198 PolarHBondContact N-OD2 3.3Å; R148-D198 PolarHBondContact O-N 3.46Å; R148-F199 PolarHBondContact O-N 2.91Å
149	S	98.6	Very high	97.8	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.6	179	70.4	0	0	0	0	114	W139 Q143 P166 T167 R168 F199	W139-S149 VanDerWaalsContact CB-OG 3.28Å; W139-S149 WeakPolarHBondContact CB-OG 3.3Å; Q143-S149 PolarHBondContact OE1-OG 3.48Å; S149-P166 WeakPolarHBondContact OG-CA 3.47Å; S149-P166 WeakPolarHBondContact OG-CB 3.38Å; S149-T167 PolarHBondContact N-OG1 3.02Å; S149-T167 WeakPolarHBondContact O-CA 3.31Å; S149-T167 VanDerWaalsContact O-CB 3.26Å; S149-T167 WeakPolarHBondContact O-CB 3.46Å; S149-T167 PolarHBondContact O-N 2.8Å; S149-R168 PolarHBondContact O-N 3.38Å; S149-F199 CarbonylContact C-O 3.1Å; S149-F199 WeakPolarHBondContact CA-O 3.37Å
150	G	98.7	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.7	177	0	0	0	0	0	110.9	R168 F199 G200 I201	G150-R168 CarbonylContact C-O 3.51Å; G150-R168 VanDerWaalsContact CA-O 3.25Å; G150-R168 WeakPolarHBondContact CA-O 3.41Å; G150-F199 PolarHBondContact N-O 2.66Å; G150-G200 CarbonylContact O-C 3.5Å; G150-G200 VanDerWaalsContact O-CA 3.3Å; G150-G200 WeakPolarHBondContact O-CA 3.34Å; G150-I201 PolarHBondContact O-N 3.36Å
151	A	98.8	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.5	-179.1	0	0	0	0	0	113.4	P166 R168 Y169 L170 W188 I201	A151-P166 HydrophobicContact CB-CB 3.93Å; A151-P166 HydrophobicContact CB-CG 3.69Å; A151-R168 PolarHBondContact N-O 3.05Å; A151-Y169 CarbonylContact O-C 3.6Å; A151-Y169 WeakPolarHBondContact O-CA 3.48Å; A151-L170 PolarHBondContact O-N 3.4Å; A151-W188 VanDerWaalsContact N-CZ3 3.35Å; A151-W188 WeakPolarHBondContact O-CH2 3.44Å; A151-I201 HydrophobicContact CB-CD1 3.72Å; A151-I201 HydrophobicContact CB-CG1 3.51Å
152	A	98.8	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	87.9	171.9	0	0	0	0	0	109.7	W154 L170 R181 I185 I201 L202 Y203	A152-W154 PolarHBondContact O-N 3.02Å; A152-L170 HydrophobicContact CB-CD1 4.23Å; A152-R181 HydrophobicContact CB-CB 4.12Å; A152-I185 HydrophobicContact CB-CD1 4.01Å; A152-I185 HydrophobicContact CB-CG1 4.07Å; A152-I201 PolarHBondContact N-O 2.79Å; A152-L202 HydrophobicContact CB-CD1 3.65Å; A152-Y203 PolarHBondContact O-N 3.19Å; A152-Y203 VanDerWaalsContact O-N 3.1Å
153	M	98.4	Very high	97.7	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.03	17%	0.167	C	C	.	.	S	Bend	trans	64.8	29.8	167.3	-55.3	-172.1	-179.9	0	0	116.4	L170 Q171 Y172 N173 V176 Y203	M153-L170 HydrophobicContact CE-CB 4Å; M153-L170 HydrophobicContact CE-CD1 4.15Å; M153-L170 HydrophobicContact CG-CB 3.95Å; M153-Q171 WeakPolarHBondContact CE-O 3.15Å; M153-Y172 HydrophobicContact CB-CD2 4.16Å; M153-N173 HydrophobicContact CE-CB 4.04Å; M153-N173 PolarHBondContact SD-N 3.31Å; M153-N173 VanDerWaalsContact SD-N 3.42Å; M153-V176 HydrophobicContact CE-CB 3.56Å; M153-V176 HydrophobicContact CE-CG1 4Å; M153-V176 HydrophobicContact CE-CG2 3.63Å; M153-V176 HydrophobicContact SD-CB 4.48Å; M153-Y203 HydrophobicContact CB-CD1 4.45Å; M153-Y203 WeakPolarHBondContact O-CB 3.49Å; M153-Y203 VanDerWaalsContact O-CD1 3.3Å; M153-Y203 WeakPolarHBondContact O-CD1 3.4Å
154	W	98.8	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.008	17%	0.168	C	C	.	.			trans	-76.2	141.8	175.3	-166.1	-82.2	0	0	0	111.3	L47 H91 M94 V95 A152 G156 S157 I201	L47-W154 HydrophobicContact CD2-CH2 3.3Å; L47-W154 HydrophobicContact CD2-CZ2 3.69Å; L47-W154 HydrophobicContact CD2-CZ3 3.98Å; L47-W154 HydrophobicContact CG-CH2 3.63Å; L47-W154 HydrophobicContact CG-CZ2 4.49Å; L47-W154 HydrophobicContact CG-CZ3 3.92Å; H91-W154 HydrophobicContact CB-CZ2 4.46Å; H91-W154 AromaticContact CD2-CE2 3.71Å; H91-W154 AromaticContact CD2-CH2 3.86Å; H91-W154 AromaticContact CD2-CZ2 3.61Å; H91-W154 PolarHBondContact O-NE1 3.12Å; M94-W154 HydrophobicContact CB-CZ2 4.23Å; M94-W154 HydrophobicContact CE-CH2 3.92Å; M94-W154 HydrophobicContact CE-CZ2 3.84Å; M94-W154 HydrophobicContact SD-CH2 4.43Å; M94-W154 HydrophobicContact SD-CZ2 4.48Å; V95-W154 HydrophobicContact CG1-CZ2 3.9Å; A152-W154 PolarHBondContact O-N 3.02Å; W154-G156 PolarHBondContact O-N 3.21Å; W154-S157 PolarHBondContact N-OG 3.48Å; W154-S157 VanDerWaalsContact O-CB 3.22Å; W154-S157 WeakPolarHBondContact O-CB 3.29Å; W154-S157 PolarHBondContact O-N 2.8Å; W154-S157 PolarHBondContact O-OG 3.08Å; W154-I201 HydrophobicContact CB-CB 4.34Å; W154-I201 HydrophobicContact CB-CD1 3.55Å; W154-I201 HydrophobicContact CB-CG1 3.81Å; W154-I201 HydrophobicContact CD2-CB 4.11Å; W154-I201 HydrophobicContact CD2-CD1 4.31Å; W154-I201 HydrophobicContact CD2-CG1 4.48Å; W154-I201 HydrophobicContact CE3-CB 3.88Å; W154-I201 HydrophobicContact CG-CB 4.34Å; W154-I201 HydrophobicContact CG-CD1 3.73Å; W154-I201 HydrophobicContact CG-CG1 4.19Å
155	P	98.2	Very high	97.9	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	124.2	177.5	-31.8	38.2	0	0	0	113.7	Y88 H91 W132 S157	Y88-P155 HydrophobicContact CD1-CB 4.25Å; Y88-P155 HydrophobicContact CD2-CB 4.26Å; Y88-P155 HydrophobicContact CD2-CG 4.32Å; Y88-P155 HydrophobicContact CE1-CB 4.31Å; Y88-P155 HydrophobicContact CE2-CB 4.31Å; Y88-P155 HydrophobicContact CE2-CG 4.3Å; Y88-P155 HydrophobicContact CG-CB 4.22Å; H91-P155 HydrophobicContact CB-CB 4.03Å; H91-P155 HydrophobicContact CB-CG 3.68Å; W132-P155 HydrophobicContact CH2-CB 4.26Å; P155-S157 VanDerWaalsContact C-N 3.29Å; P155-S157 PolarHBondContact O-N 2.92Å
156	G	97.9	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-6.5	-177.6	0	0	0	0	0	115.4	W139 W154 D158 V159 I161	W139-G156 WeakPolarHBondContact CZ2-O 3.14Å; W154-G156 PolarHBondContact O-N 3.21Å; G156-D158 VanDerWaalsContact C-N 3.32Å; G156-D158 PolarHBondContact O-N 2.77Å; G156-V159 WeakPolarHBondContact O-CB 3.28Å; G156-V159 PolarHBondContact O-N 3.14Å; G156-I161 VanDerWaalsContact O-CD1 3.28Å; G156-I161 WeakPolarHBondContact O-CD1 3.49Å
157	S	98.3	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.9	-177.2	70.6	0	0	0	0	114.5	W154 P155 P166	W154-S157 PolarHBondContact N-OG 3.48Å; W154-S157 VanDerWaalsContact O-CB 3.22Å; W154-S157 WeakPolarHBondContact O-CB 3.29Å; W154-S157 PolarHBondContact O-N 2.8Å; W154-S157 PolarHBondContact O-OG 3.08Å; P155-S157 VanDerWaalsContact C-N 3.29Å; P155-S157 PolarHBondContact O-N 2.92Å; S157-P166 WeakPolarHBondContact O-CD 3.16Å; S157-P166 VanDerWaalsContact O-CG 3.31Å; S157-P166 WeakPolarHBondContact O-CG 3.2Å
158	D	98.1	Very high	98.3	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.091	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	21.2	171.2	56	-7.4	0	0	0	112.6	G156 F165 Y169 Q171 Y172	G156-D158 VanDerWaalsContact C-N 3.32Å; G156-D158 PolarHBondContact O-N 2.77Å; D158-F165 WeakPolarHBondContact O-CE1 3.26Å; D158-Y169 HydrophobicContact CB-CD2 3.78Å; D158-Y169 HydrophobicContact CB-CE2 3.81Å; D158-Q171 HydrophobicContact CB-CB 4.46Å; D158-Q171 HydrophobicContact CB-CG 4.5Å; D158-Q171 WeakPolarHBondContact OD2-CA 3.34Å; D158-Y172 PolarHBondContact OD2-N 3.42Å
159	V	98.5	Very high	98.3	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.15	C	C	.	.	S	Bend	trans	-112	142.9	174.3	-172.2	0	0	0	0	110.2	V126 Y127 W132 G156 I161 F165	V126-V159 WeakPolarHBondContact O-CG2 3.3Å; Y127-V159 HydrophobicContact CD1-CG2 4.44Å; W132-V159 HydrophobicContact CG-CG1 4.36Å; W132-V159 HydrophobicContact CZ2-CG2 4.49Å; G156-V159 WeakPolarHBondContact O-CB 3.28Å; G156-V159 PolarHBondContact O-N 3.14Å; V159-I161 HydrophobicContact CB-CD1 4.39Å; V159-I161 HydrophobicContact CB-CG1 4Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; V159-I161 PolarHBondContact O-N 2.81Å; V159-F165 WeakPolarHBondContact O-CD1 3.46Å
160	L	97.8	Very high	98.3	Very high	81 Å²	81	30.1 Å²	30.1	42%	0.424	16%	0.159	S	C	.	.			trans	-79.2	64.2	-178.6	-172.2	69	0	0	0	111.7	S129 H162 G163 F165	S129-L160 WeakPolarHBondContact CB-O 3.28Å; L160-H162 PolarHBondContact O-N 2.79Å; L160-G163 VanDerWaalsContact CD1-C 3.42Å; L160-G163 PolarHBondContact O-N 3.3Å; L160-F165 HydrophobicContact CB-CE1 4.07Å; L160-F165 HydrophobicContact CB-CE2 4.17Å; L160-F165 HydrophobicContact CB-CZ 3.77Å; L160-F165 HydrophobicContact CD1-CD2 3.64Å; L160-F165 HydrophobicContact CD1-CE2 3.54Å; L160-F165 HydrophobicContact CD1-CG 4.25Å; L160-F165 HydrophobicContact CD1-CZ 4.05Å; L160-F165 HydrophobicContact CG-CE2 4.37Å; L160-F165 HydrophobicContact CG-CZ 4.46Å
161	I	98.4	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-73.9	124.3	-174.5	-55.3	174.6	0	0	0	109.9	Y92 W132 P137 W139 G156 V159 G163 V164	Y92-I161 HydrophobicContact CE2-CD1 3.97Å; W132-I161 HydrophobicContact CB-CD1 3.7Å; W132-I161 HydrophobicContact CB-CG1 3.73Å; W132-I161 HydrophobicContact CB-CG2 4.36Å; W132-I161 HydrophobicContact CD2-CD1 4.3Å; W132-I161 HydrophobicContact CE3-CD1 4.33Å; W132-I161 HydrophobicContact CG-CD1 4.08Å; W132-I161 HydrophobicContact CG-CG1 4.28Å; P137-I161 HydrophobicContact CG-CD1 4.13Å; P137-I161 HydrophobicContact CG-CG2 4.29Å; W139-I161 HydrophobicContact CZ2-CD1 4.02Å; G156-I161 VanDerWaalsContact O-CD1 3.28Å; G156-I161 WeakPolarHBondContact O-CD1 3.49Å; V159-I161 HydrophobicContact CB-CD1 4.39Å; V159-I161 HydrophobicContact CB-CG1 4Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; V159-I161 PolarHBondContact O-N 2.81Å; I161-G163 PolarHBondContact O-N 2.99Å; I161-G163 VanDerWaalsContact O-N 3.13Å; I161-V164 PolarHBondContact O-N 3.06Å
162	H	97.4	Very high	98.2	Very high	61 Å²	61	40.4 Å²	40.4	28%	0.282	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	31.5	-175.8	-61.9	-49.1	0	0	0	113.8	E133 A135 V136 L160	E133-H162 PolarHBondContact O-CE1 3.49Å; E133-H162 PolarHBondContact OE1-N 2.8Å; E133-H162 WeakPolarHBondContact OE2-CA 3.49Å; E133-H162 IonicContact OE2-CE1 2.77Å; E133-H162 PolarHBondContact OE2-CE1 2.89Å; E133-H162 IonicContact OE2-CG 3.07Å; E133-H162 PolarHBondContact OE2-N 2.78Å; E133-H162 IonicContact OE2-ND1 2.77Å; E133-H162 PolarHBondContact OE2-ND1 2.91Å; A135-H162 PolarHBondContact O-NE2 2.91Å; V136-H162 VanDerWaalsContact CG2-NE2 3.3Å; V136-H162 WeakPolarHBondContact CG2-NE2 3.44Å; L160-H162 PolarHBondContact O-N 2.79Å
163	G	97.1	Very high	98.1	Very high	54 Å²	54	44.2 Å²	44.2	56%	0.557	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	14.4	-177.9	0	0	0	0	0	115	L160 I161	L160-G163 VanDerWaalsContact CD1-C 3.42Å; L160-G163 PolarHBondContact O-N 3.3Å; I161-G163 PolarHBondContact O-N 2.99Å; I161-G163 VanDerWaalsContact O-N 3.13Å
164	V	97.9	Very high	97.9	Very high	35 Å²	35	46.4 Å²	46.4	21%	0.212	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-136.8	117.8	-170.8	178.5	0	0	0	0	112.4	V140 I161	V140-V164 HydrophobicContact CB-CG1 4.49Å; V140-V164 HydrophobicContact CG1-CB 4.19Å; V140-V164 HydrophobicContact CG1-CG1 4.36Å; V140-V164 HydrophobicContact CG1-CG2 4.43Å; V140-V164 HydrophobicContact CG2-CB 4.01Å; V140-V164 HydrophobicContact CG2-CG1 4.03Å; I161-V164 PolarHBondContact O-N 3.06Å
165	F	98.5	Very high	97.9	Very high	69 Å²	69	51.6 Å²	51.6	30%	0.303	28%	0.279	S	S	.	.			trans	-82.8	161.3	161.3	-65.9	-68.4	0	0	0	111.3	Q143 D158 V159 L160 Y169	Q143-F165 PolarHBondContact NE2-O 3.21Å; D158-F165 WeakPolarHBondContact O-CE1 3.26Å; V159-F165 WeakPolarHBondContact O-CD1 3.46Å; L160-F165 HydrophobicContact CB-CE1 4.07Å; L160-F165 HydrophobicContact CB-CE2 4.17Å; L160-F165 HydrophobicContact CB-CZ 3.77Å; L160-F165 HydrophobicContact CD1-CD2 3.64Å; L160-F165 HydrophobicContact CD1-CE2 3.54Å; L160-F165 HydrophobicContact CD1-CG 4.25Å; L160-F165 HydrophobicContact CD1-CZ 4.05Å; L160-F165 HydrophobicContact CG-CE2 4.37Å; L160-F165 HydrophobicContact CG-CZ 4.46Å; F165-Y169 HydrophobicContact CB-CD1 4.05Å; F165-Y169 HydrophobicContact CB-CE1 3.79Å; F165-Y169 HydrophobicContact CD1-CE1 4.07Å; F165-Y169 HydrophobicContact CD1-CE2 4.32Å; F165-Y169 AromaticContact CD1-CZ 3.87Å; F165-Y169 HydrophobicContact CD2-CE1 4.24Å; F165-Y169 HydrophobicContact CG-CD1 4.46Å; F165-Y169 AromaticContact CG-CE1 3.8Å; F165-Y169 HydrophobicContact CG-CE1 3.8Å
166	P	98.6	Very high	97.9	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.032	29%	0.288	C	S	.	.			trans	-54.2	149.2	160.1	-19.2	31.1	0	0	0	111.7	W139 S149 A151 S157 R168	W139-P166 HydrophobicContact CB-CG 4.39Å; W139-P166 HydrophobicContact CD2-CG 4.37Å; W139-P166 HydrophobicContact CG-CG 3.97Å; S149-P166 WeakPolarHBondContact OG-CA 3.47Å; S149-P166 WeakPolarHBondContact OG-CB 3.38Å; A151-P166 HydrophobicContact CB-CB 3.93Å; A151-P166 HydrophobicContact CB-CG 3.69Å; S157-P166 WeakPolarHBondContact O-CD 3.16Å; S157-P166 VanDerWaalsContact O-CG 3.31Å; S157-P166 WeakPolarHBondContact O-CG 3.2Å; P166-R168 PolarHBondContact O-N 3.22Å
167	T	98.3	Very high	97.9	Very high	63 Å²	63	55.3 Å²	55.3	39%	0.387	30%	0.303	S	S	.	.	S	Bend	trans	-59.5	-36.1	-174.6	-51.4	0	0	0	0	111.8	Q143 R148 S149	Q143-T167 VanDerWaalsContact CD-OG1 3.29Å; Q143-T167 PolarHBondContact OE1-OG1 3.09Å; R148-T167 HydrophobicContact CB-CG2 4.34Å; R148-T167 HydrophobicContact CG-CG2 4.08Å; S149-T167 PolarHBondContact N-OG1 3.02Å; S149-T167 WeakPolarHBondContact O-CA 3.31Å; S149-T167 VanDerWaalsContact O-CB 3.26Å; S149-T167 WeakPolarHBondContact O-CB 3.46Å; S149-T167 PolarHBondContact O-N 2.8Å
168	R	98.4	Very high	97.9	Very high	101 Å²	101	55.3 Å²	55.3	38%	0.381	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.4	167.6	-53.8	-69.5	-172.7	159.3	2.3	107	S149 G150 A151 P166 W188 E195 V197	S149-R168 PolarHBondContact O-N 3.38Å; G150-R168 CarbonylContact C-O 3.51Å; G150-R168 VanDerWaalsContact CA-O 3.25Å; G150-R168 WeakPolarHBondContact CA-O 3.41Å; A151-R168 PolarHBondContact N-O 3.05Å; P166-R168 PolarHBondContact O-N 3.22Å; R168-W188 HydrophobicContact CB-CD2 3.62Å; R168-W188 VanDerWaalsContact CB-CE2 3.46Å; R168-W188 HydrophobicContact CB-CE3 4.21Å; R168-W188 HydrophobicContact CB-CG 3.9Å; R168-W188 HydrophobicContact CB-CH2 4.38Å; R168-W188 HydrophobicContact CB-CZ2 3.85Å; R168-W188 HydrophobicContact CG-CD2 4.24Å; R168-W188 HydrophobicContact CG-CG 3.96Å; R168-E195 IonicContact NH2-OE2 3.84Å; R168-E195 PolarHBondContact NH2-OE2 3.21Å; R168-V197 HydrophobicContact CG-CG1 4.5Å
169	Y	98.6	Very high	98	Very high	90 Å²	90	56.8 Å²	56.8	35%	0.353	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.2	173.4	70.3	-78	0	0	0	112.3	A151 D158 F165	A151-Y169 CarbonylContact O-C 3.6Å; A151-Y169 WeakPolarHBondContact O-CA 3.48Å; D158-Y169 HydrophobicContact CB-CD2 3.78Å; D158-Y169 HydrophobicContact CB-CE2 3.81Å; F165-Y169 HydrophobicContact CB-CD1 4.05Å; F165-Y169 HydrophobicContact CB-CE1 3.79Å; F165-Y169 HydrophobicContact CD1-CE1 4.07Å; F165-Y169 HydrophobicContact CD1-CE2 4.32Å; F165-Y169 AromaticContact CD1-CZ 3.87Å; F165-Y169 HydrophobicContact CD2-CE1 4.24Å; F165-Y169 HydrophobicContact CG-CD1 4.46Å; F165-Y169 AromaticContact CG-CE1 3.8Å; F165-Y169 HydrophobicContact CG-CE1 3.8Å
170	L	98.6	Very high	98	Very high	35 Å²	35	58 Å²	58	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.4	164	-59.1	176.9	0	0	0	108	A151 A152 M153 R184 W188	A151-L170 PolarHBondContact O-N 3.4Å; A152-L170 HydrophobicContact CB-CD1 4.23Å; M153-L170 HydrophobicContact CE-CB 4Å; M153-L170 HydrophobicContact CE-CD1 4.15Å; M153-L170 HydrophobicContact CG-CB 3.95Å; L170-R184 HydrophobicContact CD1-CB 4.45Å; L170-R184 HydrophobicContact CD1-CG 4.14Å; L170-R184 HydrophobicContact CD2-CG 4.31Å; L170-W188 HydrophobicContact CD2-CZ2 4.43Å; L170-W188 HydrophobicContact CG-CH2 4.05Å; L170-W188 HydrophobicContact CG-CZ2 4.35Å
171	Q	97.6	Very high	98	Very high	120 Å²	120	54.1 Å²	54.1	56%	0.561	30%	0.3	S	S	*	.			trans	-62	143.4	164	-175.3	178.1	5.4	0	0	109.5	Y127 M153 D158 N173	Y127-Q171 HydrophobicContact CE1-CG 4.34Å; Y127-Q171 PolarHBondContact OH-NE2 3.43Å; Y127-Q171 VanDerWaalsContact OH-NE2 3.1Å; M153-Q171 WeakPolarHBondContact CE-O 3.15Å; D158-Q171 HydrophobicContact CB-CB 4.46Å; D158-Q171 HydrophobicContact CB-CG 4.5Å; D158-Q171 WeakPolarHBondContact OD2-CA 3.34Å; Q171-N173 PolarHBondContact O-N 2.84Å
172	Y	97.7	Very high	98.1	Very high	98 Å²	98	54.1 Å²	54.1	38%	0.384	30%	0.3	S	S	.	.			trans	-54.3	126	-180	-175.9	-105.5	0	0	0	112.4	M153 D158 Y203 E205	M153-Y172 HydrophobicContact CB-CD2 4.16Å; D158-Y172 PolarHBondContact OD2-N 3.42Å; Y172-Y203 HydrophobicContact CE2-CD1 4.47Å; Y172-Y203 AromaticContact CE2-CE1 3.96Å; Y172-Y203 HydrophobicContact CE2-CE1 3.96Å; Y172-E205 WeakPolarHBondContact CE2-OE1 3.34Å
173	N	97.1	Very high	98.1	Very high	80 Å²	80	57.9 Å²	57.9	43%	0.428	31%	0.311	S	S	.	.			trans	-158.4	99.6	173.1	179.5	-13.1	0	0	0	109.3	M153 Q171 S175 V176	M153-N173 HydrophobicContact CE-CB 4.04Å; M153-N173 PolarHBondContact SD-N 3.31Å; M153-N173 VanDerWaalsContact SD-N 3.42Å; Q171-N173 PolarHBondContact O-N 2.84Å; N173-S175 PolarHBondContact O-N 3.44Å; N173-S175 WeakPolarHBondContact OD1-CB 3.35Å; N173-S175 PolarHBondContact OD1-N 3.17Å; N173-V176 HydrophobicContact CB-CG2 4.05Å; N173-V176 WeakPolarHBondContact O-CB 3.46Å; N173-V176 PolarHBondContact O-N 3.2Å
174	A	94.9	Very high	98.2	Very high	51 Å²	51	60.6 Å²	60.6	42%	0.421	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.4	-178.9	0	0	0	0	0	114	V176	A174-V176 PolarHBondContact O-N 3.31Å
175	S	97.6	Very high	98.3	Very high	112 Å²	112	59 Å²	59	78%	0.783	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.2	176.5	-55.3	0	0	0	0	114.3	N173 S177	N173-S175 PolarHBondContact O-N 3.44Å; N173-S175 WeakPolarHBondContact OD1-CB 3.35Å; N173-S175 PolarHBondContact OD1-N 3.17Å; S175-S177 PolarHBondContact O-N 3.49Å
176	V	98.6	Very high	98.3	Very high	40 Å²	40	56.5 Å²	56.5	24%	0.242	29%	0.285	C	S	.	.	S	Bend	trans	-82	111.7	175.1	-179.8	0	0	0	0	109.6	M153 N173 A174 A180 R181	M153-V176 HydrophobicContact CE-CB 3.56Å; M153-V176 HydrophobicContact CE-CG1 4Å; M153-V176 HydrophobicContact CE-CG2 3.63Å; M153-V176 HydrophobicContact SD-CB 4.48Å; N173-V176 HydrophobicContact CB-CG2 4.05Å; N173-V176 WeakPolarHBondContact O-CB 3.46Å; N173-V176 PolarHBondContact O-N 3.2Å; A174-V176 PolarHBondContact O-N 3.31Å; V176-A180 HydrophobicContact CG1-CB 3.82Å; V176-R181 HydrophobicContact CG1-CG 4.05Å; V176-R181 PolarHBondContact O-NE 3.41Å; V176-R181 PolarHBondContact O-NH2 3.44Å; V176-R181 VanDerWaalsContact O-NH2 3.13Å
177	S	98.6	Very high	98.3	Very high	47 Å²	47	61 Å²	61	33%	0.329	31%	0.305	S	S	.	.			trans	-60.7	152.4	-176.9	93.7	0	0	0	0	113.4	S175 E179 A180 R181	S175-S177 PolarHBondContact O-N 3.49Å; S177-E179 WeakPolarHBondContact CB-OE2 3.31Å; S177-E179 PolarHBondContact O-N 2.69Å; S177-E179 PolarHBondContact OG-OE2 3Å; S177-A180 WeakPolarHBondContact O-CA 3.3Å; S177-A180 WeakPolarHBondContact O-CB 3.45Å; S177-A180 PolarHBondContact O-N 2.7Å; S177-A180 PolarHBondContact OG-N 3.23Å; S177-R181 PolarHBondContact O-N 2.98Å
178	F	98.8	Very high	98.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-51.6	-41.7	178.1	-173.8	-100	0	0	0	112.3	F50 A180 R181 V182 L202 W204 K231 L235	F50-F178 HydrophobicContact CE1-CD2 4.37Å; F50-F178 AromaticContact CE1-CE2 3.64Å; F50-F178 HydrophobicContact CE1-CE2 3.64Å; F50-F178 AromaticContact CE1-CZ 3.85Å; F50-F178 HydrophobicContact CE1-CZ 3.85Å; F50-F178 HydrophobicContact CZ-CE2 4.14Å; F50-F178 AromaticContact CZ-CZ 3.91Å; F50-F178 HydrophobicContact CZ-CZ 3.91Å; F178-A180 VanDerWaalsContact C-N 3.28Å; F178-A180 PolarHBondContact O-N 3.21Å; F178-R181 CarbonylContact O-C 3.57Å; F178-R181 WeakPolarHBondContact O-CA 3.44Å; F178-R181 WeakPolarHBondContact O-CB 3.45Å; F178-R181 PolarHBondContact O-N 2.72Å; F178-R181 VanDerWaalsContact O-N 3.08Å; F178-V182 HydrophobicContact CD1-CG2 3.69Å; F178-V182 HydrophobicContact CE1-CG2 3.3Å; F178-V182 HydrophobicContact CE2-CG2 4.42Å; F178-V182 HydrophobicContact CG-CG2 4.39Å; F178-V182 HydrophobicContact CZ-CG2 3.73Å; F178-V182 WeakPolarHBondContact O-CG2 3.49Å; F178-V182 PolarHBondContact O-N 3.13Å; F178-L202 HydrophobicContact CE2-CD2 3.85Å; F178-L202 HydrophobicContact CE2-CG 4.22Å; F178-L202 HydrophobicContact CZ-CD2 3.87Å; F178-W204 HydrophobicContact CB-CD2 3.84Å; F178-W204 HydrophobicContact CB-CE3 3.61Å; F178-W204 HydrophobicContact CB-CH2 4.04Å; F178-W204 HydrophobicContact CB-CZ2 4.23Å; F178-W204 HydrophobicContact CB-CZ3 3.73Å; F178-W204 HydrophobicContact CD2-CB 3.75Å; F178-W204 AromaticContact CD2-CD2 3.68Å; F178-W204 HydrophobicContact CD2-CD2 3.68Å; F178-W204 AromaticContact CD2-CE3 3.79Å; F178-W204 HydrophobicContact CD2-CE3 3.79Å; F178-W204 AromaticContact CD2-CG 3.67Å; F178-W204 HydrophobicContact CD2-CG 3.67Å; F178-W204 HydrophobicContact CE2-CB 3.98Å; F178-W204 HydrophobicContact CE2-CG 4.28Å; F178-W204 HydrophobicContact CG-CD2 4.19Å; F178-W204 HydrophobicContact CG-CE3 4.21Å; F178-K231 HydrophobicContact CB-CD 3.82Å; F178-K231 HydrophobicContact CB-CG 4.35Å; F178-K231 HydrophobicContact CD1-CB 3.67Å; F178-K231 HydrophobicContact CD1-CD 4.13Å; F178-K231 HydrophobicContact CD1-CG 3.9Å; F178-K231 HydrophobicContact CE1-CB 3.79Å; F178-K231 VanDerWaalsContact CE1-O 3.24Å; F178-K231 WeakPolarHBondContact CE1-O 3.42Å; F178-K231 HydrophobicContact CG-CB 4.25Å; F178-K231 HydrophobicContact CG-CD 3.92Å; F178-K231 HydrophobicContact CG-CG 4.22Å; F178-K231 HydrophobicContact CZ-CB 4.45Å; F178-L235 HydrophobicContact CE1-CB 4.35Å
179	E	98.8	Very high	98.3	Very high	47 Å²	47	54.1 Å²	54.1	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-69.5	-26.8	-178.1	-50.1	72.5	-152.6	0	0	111.6	S177 R183 K231 F234	S177-E179 WeakPolarHBondContact CB-OE2 3.31Å; S177-E179 PolarHBondContact O-N 2.69Å; S177-E179 PolarHBondContact OG-OE2 3Å; E179-R183 WeakPolarHBondContact O-CB 3.34Å; E179-R183 VanDerWaalsContact O-CG 3.3Å; E179-R183 WeakPolarHBondContact O-CG 3.37Å; E179-R183 PolarHBondContact O-N 2.84Å; E179-R183 PolarHBondContact O-NE 3.05Å; E179-K231 IonicContact OE1-NZ 3.6Å; E179-K231 PolarHBondContact OE1-NZ 2.81Å; E179-F234 HydrophobicContact CB-CD1 4.11Å; E179-F234 HydrophobicContact CB-CE1 3.62Å; E179-F234 HydrophobicContact CB-CE2 4.43Å; E179-F234 HydrophobicContact CB-CZ 3.81Å; E179-F234 HydrophobicContact CG-CD1 3.99Å; E179-F234 HydrophobicContact CG-CD2 4.42Å; E179-F234 HydrophobicContact CG-CE1 4Å; E179-F234 HydrophobicContact CG-CE2 4.43Å; E179-F234 HydrophobicContact CG-CG 4.22Å; E179-F234 HydrophobicContact CG-CZ 4.23Å
180	A	98.8	Very high	98.3	Very high	28 Å²	28	52.8 Å²	52.8	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-73.7	-41.6	168.6	0	0	0	0	0	111.5	V176 S177 F178 R183 R184	V176-A180 HydrophobicContact CG1-CB 3.82Å; S177-A180 WeakPolarHBondContact O-CA 3.3Å; S177-A180 WeakPolarHBondContact O-CB 3.45Å; S177-A180 PolarHBondContact O-N 2.7Å; S177-A180 PolarHBondContact OG-N 3.23Å; F178-A180 VanDerWaalsContact C-N 3.28Å; F178-A180 PolarHBondContact O-N 3.21Å; A180-R183 PolarHBondContact O-N 3Å; A180-R184 WeakPolarHBondContact O-CG 3.16Å; A180-R184 PolarHBondContact O-N 3.09Å
181	R	98.8	Very high	98.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-47.8	175.2	-58.8	179.2	-161.1	-163.1	0.7	111.5	A152 V176 S177 F178 R183 R184 I185 L202 Y203 E205	A152-R181 HydrophobicContact CB-CB 4.12Å; V176-R181 HydrophobicContact CG1-CG 4.05Å; V176-R181 PolarHBondContact O-NE 3.41Å; V176-R181 PolarHBondContact O-NH2 3.44Å; V176-R181 VanDerWaalsContact O-NH2 3.13Å; S177-R181 PolarHBondContact O-N 2.98Å; F178-R181 CarbonylContact O-C 3.57Å; F178-R181 WeakPolarHBondContact O-CA 3.44Å; F178-R181 WeakPolarHBondContact O-CB 3.45Å; F178-R181 PolarHBondContact O-N 2.72Å; F178-R181 VanDerWaalsContact O-N 3.08Å; R181-R183 PolarHBondContact O-N 3.08Å; R181-R184 WeakPolarHBondContact O-CB 3.29Å; R181-R184 PolarHBondContact O-N 3.44Å; R181-R184 VanDerWaalsContact O-N 3.15Å; R181-I185 PolarHBondContact O-N 3.01Å; R181-I185 VanDerWaalsContact O-N 3.08Å; R181-L202 HydrophobicContact CB-CD1 3.52Å; R181-L202 HydrophobicContact CG-CD1 4.47Å; R181-Y203 PolarHBondContact NH1-O 3.04Å; R181-E205 IonicContact CZ-OE1 2.65Å; R181-E205 VanDerWaalsContact CZ-OE1 3.23Å; R181-E205 IonicContact CZ-OE2 3.74Å; R181-E205 VanDerWaalsContact CZ-OE2 3.31Å; R181-E205 VanDerWaalsContact NH1-CD 3.29Å; R181-E205 IonicContact NH1-OE1 3.49Å; R181-E205 PolarHBondContact NH1-OE1 2.97Å; R181-E205 IonicContact NH1-OE2 2.86Å; R181-E205 PolarHBondContact NH1-OE2 2.69Å; R181-E205 VanDerWaalsContact NH2-CD 3.27Å; R181-E205 IonicContact NH2-OE1 3.46Å; R181-E205 PolarHBondContact NH2-OE1 3.35Å; R181-E205 IonicContact NH2-OE2 3.52Å; R181-E205 PolarHBondContact NH2-OE2 2.98Å
182	V	98.9	Very high	98.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-48.1	174.6	167.7	0	0	0	0	111.4	F178 R184 I185 I186 L202 F234 L235 E238	F178-V182 HydrophobicContact CD1-CG2 3.69Å; F178-V182 HydrophobicContact CE1-CG2 3.3Å; F178-V182 HydrophobicContact CE2-CG2 4.42Å; F178-V182 HydrophobicContact CG-CG2 4.39Å; F178-V182 HydrophobicContact CZ-CG2 3.73Å; F178-V182 WeakPolarHBondContact O-CG2 3.49Å; F178-V182 PolarHBondContact O-N 3.13Å; V182-R184 PolarHBondContact O-N 3.43Å; V182-I185 WeakPolarHBondContact O-CB 3.36Å; V182-I185 PolarHBondContact O-N 2.92Å; V182-I186 HydrophobicContact CG1-CG1 4.14Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.08Å; V182-I186 PolarHBondContact O-N 2.98Å; V182-L202 HydrophobicContact CG2-CD2 3.9Å; V182-F234 HydrophobicContact CB-CD1 4.21Å; V182-F234 HydrophobicContact CB-CE1 3.96Å; V182-F234 HydrophobicContact CG1-CD1 3.95Å; V182-F234 HydrophobicContact CG1-CE1 3.71Å; V182-F234 HydrophobicContact CG2-CD1 4.39Å; V182-L235 HydrophobicContact CG1-CB 4.39Å; V182-L235 HydrophobicContact CG1-CD1 3.86Å; V182-L235 HydrophobicContact CG2-CB 4.11Å; V182-L235 HydrophobicContact CG2-CD1 4.15Å; V182-E238 HydrophobicContact CG1-CB 4.12Å; V182-E238 HydrophobicContact CG1-CG 4.14Å
183	R	98.8	Very high	97.6	Very high	141 Å²	141	53.9 Å²	53.9	53%	0.532	30%	0.296	S	S	.	.	H	α-helix	trans	-59.1	-33.9	178.8	-79.7	177.8	-68.5	173	-0.6	112.8	E179 A180 R181 E187	E179-R183 WeakPolarHBondContact O-CB 3.34Å; E179-R183 VanDerWaalsContact O-CG 3.3Å; E179-R183 WeakPolarHBondContact O-CG 3.37Å; E179-R183 PolarHBondContact O-N 2.84Å; E179-R183 PolarHBondContact O-NE 3.05Å; A180-R183 PolarHBondContact O-N 3Å; R181-R183 PolarHBondContact O-N 3.08Å; R183-E187 VanDerWaalsContact O-CB 3.28Å; R183-E187 WeakPolarHBondContact O-CB 3.11Å; R183-E187 PolarHBondContact O-N 3.12Å
184	R	98.8	Very high	97.1	Very high	111 Å²	111	51.4 Å²	51.4	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-44.5	172.1	-64.4	-54.9	-165.6	165.4	5	112.7	L170 A180 R181 V182 I186 E187 W188	L170-R184 HydrophobicContact CD1-CB 4.45Å; L170-R184 HydrophobicContact CD1-CG 4.14Å; L170-R184 HydrophobicContact CD2-CG 4.31Å; A180-R184 WeakPolarHBondContact O-CG 3.16Å; A180-R184 PolarHBondContact O-N 3.09Å; R181-R184 WeakPolarHBondContact O-CB 3.29Å; R181-R184 PolarHBondContact O-N 3.44Å; R181-R184 VanDerWaalsContact O-N 3.15Å; V182-R184 PolarHBondContact O-N 3.43Å; R184-I186 VanDerWaalsContact C-N 3.3Å; R184-I186 PolarHBondContact O-N 2.93Å; R184-E187 WeakPolarHBondContact CD-OE2 3.35Å; R184-E187 IonicContact CZ-OE2 2.7Å; R184-E187 IonicContact NE-OE2 3Å; R184-E187 IonicContact NH1-OE1 3.22Å; R184-E187 PolarHBondContact NH1-OE1 2.96Å; R184-E187 IonicContact NH1-OE2 2.71Å; R184-E187 PolarHBondContact NH1-OE2 3.1Å; R184-E187 WeakPolarHBondContact O-CB 3.42Å; R184-E187 PolarHBondContact O-N 2.86Å; R184-W188 HydrophobicContact CB-CD2 4.46Å; R184-W188 HydrophobicContact CB-CH2 4.11Å; R184-W188 HydrophobicContact CB-CZ2 3.81Å; R184-W188 HydrophobicContact CG-CZ2 4.49Å; R184-W188 PolarHBondContact O-N 2.92Å
185	I	98.8	Very high	97.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-45.6	174.8	-67.4	-71.2	0	0	0	110.8	L46 A152 R181 V182 W188 F189 L202	L46-I185 HydrophobicContact CD1-CD1 4.31Å; L46-I185 HydrophobicContact CD1-CG2 3.83Å; L46-I185 HydrophobicContact CD2-CG2 3.77Å; L46-I185 HydrophobicContact CG-CG2 4.44Å; A152-I185 HydrophobicContact CB-CD1 4.01Å; A152-I185 HydrophobicContact CB-CG1 4.07Å; R181-I185 PolarHBondContact O-N 3.01Å; R181-I185 VanDerWaalsContact O-N 3.08Å; V182-I185 WeakPolarHBondContact O-CB 3.36Å; V182-I185 PolarHBondContact O-N 2.92Å; I185-W188 HydrophobicContact CD1-CE3 3.98Å; I185-W188 HydrophobicContact CD1-CZ3 3.85Å; I185-W188 PolarHBondContact O-N 2.95Å; I185-F189 HydrophobicContact CG2-CD2 3.69Å; I185-F189 HydrophobicContact CG2-CE2 3.74Å; I185-F189 VanDerWaalsContact O-CD2 3.29Å; I185-F189 WeakPolarHBondContact O-CD2 3.41Å; I185-F189 PolarHBondContact O-N 3.16Å; I185-L202 HydrophobicContact CD1-CB 4.38Å; I185-L202 HydrophobicContact CG1-CB 4.3Å; I185-L202 HydrophobicContact CG1-CD1 4.43Å
186	I	98.8	Very high	97	Very high	17 Å²	17	49 Å²	49	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-44	178.3	-61.6	-69.8	0	0	0	111.7	V182 R184 W188 F189 S190 E238 L239 A242 L244	V182-I186 HydrophobicContact CG1-CG1 4.14Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.08Å; V182-I186 PolarHBondContact O-N 2.98Å; R184-I186 VanDerWaalsContact C-N 3.3Å; R184-I186 PolarHBondContact O-N 2.93Å; I186-W188 VanDerWaalsContact C-N 3.32Å; I186-W188 PolarHBondContact O-N 3.3Å; I186-F189 PolarHBondContact O-N 3.09Å; I186-S190 WeakPolarHBondContact O-CB 3.44Å; I186-S190 PolarHBondContact O-N 3.42Å; I186-S190 PolarHBondContact O-OG 2.88Å; I186-E238 HydrophobicContact CD1-CB 4.08Å; I186-E238 HydrophobicContact CG1-CB 3.89Å; I186-L239 HydrophobicContact CD1-CB 4.44Å; I186-L239 HydrophobicContact CD1-CD2 3.63Å; I186-L239 HydrophobicContact CD1-CG 3.86Å; I186-A242 HydrophobicContact CG2-CB 3.71Å; I186-L244 HydrophobicContact CD1-CD1 4.08Å
187	E	98.8	Very high	97	Very high	98 Å²	98	47.1 Å²	47.1	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-53.2	-48.5	172.4	179.3	-171	176.2	0	0	111	R183 R184 S190 A191	R183-E187 VanDerWaalsContact O-CB 3.28Å; R183-E187 WeakPolarHBondContact O-CB 3.11Å; R183-E187 PolarHBondContact O-N 3.12Å; R184-E187 WeakPolarHBondContact CD-OE2 3.35Å; R184-E187 IonicContact CZ-OE2 2.7Å; R184-E187 IonicContact NE-OE2 3Å; R184-E187 IonicContact NH1-OE1 3.22Å; R184-E187 PolarHBondContact NH1-OE1 2.96Å; R184-E187 IonicContact NH1-OE2 2.71Å; R184-E187 PolarHBondContact NH1-OE2 3.1Å; R184-E187 WeakPolarHBondContact O-CB 3.42Å; R184-E187 PolarHBondContact O-N 2.86Å; E187-S190 PolarHBondContact O-N 2.91Å; E187-A191 PolarHBondContact O-N 3.14Å; E187-A191 VanDerWaalsContact O-N 3.08Å
188	W	98.7	Very high	97	Very high	16 Å²	16	46 Å²	46	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-71.9	-36	-177.4	-56.3	-23.3	0	0	0	113.6	A151 R168 L170 R184 I185 I186 S190 A196 V197	A151-W188 VanDerWaalsContact N-CZ3 3.35Å; A151-W188 WeakPolarHBondContact O-CH2 3.44Å; R168-W188 HydrophobicContact CB-CD2 3.62Å; R168-W188 VanDerWaalsContact CB-CE2 3.46Å; R168-W188 HydrophobicContact CB-CE3 4.21Å; R168-W188 HydrophobicContact CB-CG 3.9Å; R168-W188 HydrophobicContact CB-CH2 4.38Å; R168-W188 HydrophobicContact CB-CZ2 3.85Å; R168-W188 HydrophobicContact CG-CD2 4.24Å; R168-W188 HydrophobicContact CG-CG 3.96Å; L170-W188 HydrophobicContact CD2-CZ2 4.43Å; L170-W188 HydrophobicContact CG-CH2 4.05Å; L170-W188 HydrophobicContact CG-CZ2 4.35Å; R184-W188 HydrophobicContact CB-CD2 4.46Å; R184-W188 HydrophobicContact CB-CH2 4.11Å; R184-W188 HydrophobicContact CB-CZ2 3.81Å; R184-W188 HydrophobicContact CG-CZ2 4.49Å; R184-W188 PolarHBondContact O-N 2.92Å; I185-W188 HydrophobicContact CD1-CE3 3.98Å; I185-W188 HydrophobicContact CD1-CZ3 3.85Å; I185-W188 PolarHBondContact O-N 2.95Å; I186-W188 VanDerWaalsContact C-N 3.32Å; I186-W188 PolarHBondContact O-N 3.3Å; W188-S190 VanDerWaalsContact C-N 3.33Å; W188-A196 WeakPolarHBondContact O-CA 3.41Å; W188-V197 HydrophobicContact CB-CG1 3.95Å; W188-V197 HydrophobicContact CB-CG2 3.88Å; W188-V197 PolarHBondContact O-N 3.29Å
189	F	98.6	Very high	97	Very high	4 Å²	4	46 Å²	46	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-28.1	175.8	-86.8	-64	0	0	0	113.2	K44 L45 L46 I185 I186 V197 L244 V248	K44-F189 HydrophobicContact CB-CD1 4.21Å; K44-F189 HydrophobicContact CB-CE1 3.86Å; K44-F189 HydrophobicContact CD-CD1 3.88Å; K44-F189 HydrophobicContact CD-CE1 4.38Å; K44-F189 HydrophobicContact CG-CD1 4.04Å; K44-F189 HydrophobicContact CG-CE1 4.05Å; K44-F189 PolarHBondContact NZ-O 3.33Å; K44-F189 VanDerWaalsContact NZ-O 3.09Å; L45-F189 WeakPolarHBondContact O-CZ 3.46Å; L46-F189 HydrophobicContact CB-CE2 3.96Å; L46-F189 HydrophobicContact CB-CZ 4.12Å; L46-F189 HydrophobicContact CD1-CE2 4.26Å; L46-F189 HydrophobicContact CD2-CE2 4.45Å; L46-F189 HydrophobicContact CG-CE2 4.44Å; I185-F189 HydrophobicContact CG2-CD2 3.69Å; I185-F189 HydrophobicContact CG2-CE2 3.74Å; I185-F189 VanDerWaalsContact O-CD2 3.29Å; I185-F189 WeakPolarHBondContact O-CD2 3.41Å; I185-F189 PolarHBondContact O-N 3.16Å; I186-F189 PolarHBondContact O-N 3.09Å; F189-V197 HydrophobicContact CD1-CG2 3.7Å; F189-V197 VanDerWaalsContact CD1-O 3.28Å; F189-V197 WeakPolarHBondContact CD1-O 3.4Å; F189-V197 HydrophobicContact CD2-CG2 4.23Å; F189-V197 HydrophobicContact CE1-CG2 3.83Å; F189-V197 HydrophobicContact CE2-CG2 4.34Å; F189-V197 HydrophobicContact CG-CG2 3.91Å; F189-V197 HydrophobicContact CZ-CG2 4.15Å; F189-L244 HydrophobicContact CB-CD1 3.51Å; F189-L244 HydrophobicContact CB-CD2 4.12Å; F189-L244 HydrophobicContact CB-CG 4.49Å; F189-L244 HydrophobicContact CG-CD1 4.45Å; F189-V248 HydrophobicContact CD1-CG2 4.48Å
190	S	97.9	Very high	97	Very high	62 Å²	62	43.8 Å²	43.8	43%	0.434	23%	0.228	S	C	.	.	S	Bend	trans	-96.1	-0.2	-177.2	-46.3	0	0	0	0	114.1	I186 E187 W188	I186-S190 WeakPolarHBondContact O-CB 3.44Å; I186-S190 PolarHBondContact O-N 3.42Å; I186-S190 PolarHBondContact O-OG 2.88Å; E187-S190 PolarHBondContact O-N 2.91Å; W188-S190 VanDerWaalsContact C-N 3.33Å
191	A	97.6	Very high	97	Very high	26 Å²	26	42.5 Å²	42.5	22%	0.215	22%	0.217	C	C	.	.	S	Bend	trans	-60.9	162.7	175.8	0	0	0	0	0	111.4	E187 E195 A196	E187-A191 PolarHBondContact O-N 3.14Å; E187-A191 VanDerWaalsContact O-N 3.08Å; A191-E195 HydrophobicContact CB-CB 4.09Å; A191-A196 WeakPolarHBondContact O-CB 3.33Å
192	P	94.5	Very high	97	Very high	87 Å²	87	42.5 Å²	42.5	57%	0.565	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-56.5	162	-179	-27.1	36.4	0	0	0	114.2	G194 E195 A196	P192-G194 PolarHBondContact O-N 3.28Å; P192-E195 WeakPolarHBondContact O-CA 3.47Å; P192-E195 PolarHBondContact O-N 2.83Å; P192-A196 PolarHBondContact O-N 2.92Å
193	E	87.3	Confident	97	Very high	163 Å²	163	43.3 Å²	43.3	76%	0.762	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	133.7	171.7	-167.5	-175.1	165	0	0	110.3	E195	E193-E195 VanDerWaalsContact C-N 3.26Å; E193-E195 PolarHBondContact O-N 3.02Å
194	G	87.2	Confident	97	Very high	28 Å²	28	38 Å²	38	29%	0.289	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-3.5	-172.5	0	0	0	0	0	115.4	R148 P192	R148-G194 PolarHBondContact NE-O 2.79Å; R148-G194 PolarHBondContact NH2-O 2.88Å; P192-G194 PolarHBondContact O-N 3.28Å
195	E	93.6	Very high	97	Very high	96 Å²	96	33.5 Å²	33.5	45%	0.449	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-28.1	168.8	-72.6	-164.4	-126.4	0	0	113.7	R168 A191 P192 E193	R168-E195 IonicContact NH2-OE2 3.84Å; R168-E195 PolarHBondContact NH2-OE2 3.21Å; A191-E195 HydrophobicContact CB-CB 4.09Å; P192-E195 WeakPolarHBondContact O-CA 3.47Å; P192-E195 PolarHBondContact O-N 2.83Å; E193-E195 VanDerWaalsContact C-N 3.26Å; E193-E195 PolarHBondContact O-N 3.02Å
196	A	97.1	Very high	97	Very high	17 Å²	17	35.2 Å²	35.2	14%	0.14	19%	0.192	C	C	.	.	S	Bend	trans	-55.2	142.1	178.3	0	0	0	0	0	113	R148 W188 A191 P192	R148-A196 VanDerWaalsContact CD-O 3.24Å; R148-A196 WeakPolarHBondContact CD-O 3.39Å; W188-A196 WeakPolarHBondContact O-CA 3.41Å; A191-A196 WeakPolarHBondContact O-CB 3.33Å; P192-A196 PolarHBondContact O-N 2.92Å
197	V	98.1	Very high	97	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.188	C	C	.	.			trans	-80.3	148	171.8	-56.5	0	0	0	0	111.6	K44 R148 R168 W188 F189	K44-V197 PolarHBondContact NZ-O 3.44Å; R148-V197 HydrophobicContact CB-CB 4.48Å; R148-V197 HydrophobicContact CB-CG1 4.33Å; R168-V197 HydrophobicContact CG-CG1 4.5Å; W188-V197 HydrophobicContact CB-CG1 3.95Å; W188-V197 HydrophobicContact CB-CG2 3.88Å; W188-V197 PolarHBondContact O-N 3.29Å; F189-V197 HydrophobicContact CD1-CG2 3.7Å; F189-V197 VanDerWaalsContact CD1-O 3.28Å; F189-V197 WeakPolarHBondContact CD1-O 3.4Å; F189-V197 HydrophobicContact CD2-CG2 4.23Å; F189-V197 HydrophobicContact CE1-CG2 3.83Å; F189-V197 HydrophobicContact CE2-CG2 4.34Å; F189-V197 HydrophobicContact CG-CG2 3.91Å; F189-V197 HydrophobicContact CZ-CG2 4.15Å
198	D	98.2	Very high	97	Very high	22 Å²	22	30.6 Å²	30.6	12%	0.118	17%	0.171	C	C	.	.	S	Bend	trans	-95.2	-40.5	173.6	-50.2	-59.1	0	0	0	110	R42 K44 L45 G147 R148 L398	R42-D198 HydrophobicContact CB-CB 4.09Å; K44-D198 CarbonylContact C-O 3.58Å; K44-D198 VanDerWaalsContact CA-O 3.31Å; K44-D198 WeakPolarHBondContact CA-O 3.39Å; L45-D198 PolarHBondContact N-O 3.02Å; G147-D198 WeakPolarHBondContact CA-OD2 3.38Å; R148-D198 PolarHBondContact N-OD2 3.3Å; R148-D198 PolarHBondContact O-N 3.46Å; D198-L398 HydrophobicContact CB-CD2 4.29Å
199	F	98.8	Very high	96.9	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.2	-179.7	-179.7	-133.7	0	0	0	111.5	L45 L47 L138 W139 V142 R148 S149 G150 I201 M394 L398	L45-F199 HydrophobicContact CB-CD2 4.33Å; L45-F199 HydrophobicContact CD2-CD2 4.01Å; L45-F199 HydrophobicContact CD2-CE2 4.03Å; L45-F199 HydrophobicContact CG-CD2 4.15Å; L45-F199 HydrophobicContact CG-CE2 4.33Å; L45-F199 CarbonylContact O-C 3.27Å; L45-F199 WeakPolarHBondContact O-CA 3.48Å; L47-F199 HydrophobicContact CB-CE2 4.41Å; L138-F199 HydrophobicContact CB-CE1 3.85Å; L138-F199 HydrophobicContact CB-CZ 4.28Å; L138-F199 HydrophobicContact CD2-CD1 4.41Å; L138-F199 HydrophobicContact CD2-CE1 3.87Å; L138-F199 HydrophobicContact CD2-CE2 4.02Å; L138-F199 HydrophobicContact CD2-CZ 3.64Å; L138-F199 HydrophobicContact CG-CD1 4.13Å; L138-F199 HydrophobicContact CG-CE1 3.76Å; L138-F199 HydrophobicContact CG-CZ 4.08Å; W139-F199 HydrophobicContact CB-CD1 4.49Å; V142-F199 HydrophobicContact CG2-CB 4.35Å; R148-F199 PolarHBondContact O-N 2.91Å; S149-F199 CarbonylContact C-O 3.1Å; S149-F199 WeakPolarHBondContact CA-O 3.37Å; G150-F199 PolarHBondContact N-O 2.66Å; F199-I201 HydrophobicContact CD1-CG2 4.36Å; F199-I201 HydrophobicContact CD2-CG2 4.5Å; F199-I201 HydrophobicContact CE1-CG2 3.53Å; F199-I201 HydrophobicContact CE2-CG2 3.7Å; F199-I201 HydrophobicContact CZ-CG2 3.14Å; F199-M394 HydrophobicContact CE2-SD 4.02Å; F199-M394 HydrophobicContact CZ-SD 4.26Å; F199-L398 HydrophobicContact CB-CD1 3.91Å; F199-L398 HydrophobicContact CB-CD2 3.97Å; F199-L398 HydrophobicContact CD2-CD1 3.85Å; F199-L398 HydrophobicContact CG-CD1 3.89Å
200	G	98.9	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	174.1	0	0	0	0	0	111	L45 L46 L47 G150	L45-G200 PolarHBondContact O-N 2.93Å; L46-G200 WeakPolarHBondContact CA-O 3.25Å; L47-G200 PolarHBondContact N-O 3.41Å; G150-G200 CarbonylContact O-C 3.5Å; G150-G200 VanDerWaalsContact O-CA 3.3Å; G150-G200 WeakPolarHBondContact O-CA 3.34Å
201	I	98.9	Very high	97	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.2	169	61.5	-171.7	0	0	0	109.9	L47 W139 G150 A151 A152 W154 F199	L47-I201 HydrophobicContact CB-CG2 4.27Å; L47-I201 CarbonylContact O-C 3.53Å; L47-I201 WeakPolarHBondContact O-CA 3.34Å; W139-I201 HydrophobicContact CD2-CD1 4.38Å; W139-I201 HydrophobicContact CE3-CD1 3.47Å; W139-I201 VanDerWaalsContact CE3-CD1 3.47Å; W139-I201 HydrophobicContact CH2-CD1 4.47Å; W139-I201 HydrophobicContact CZ3-CD1 3.51Å; G150-I201 PolarHBondContact O-N 3.36Å; A151-I201 HydrophobicContact CB-CD1 3.72Å; A151-I201 HydrophobicContact CB-CG1 3.51Å; A152-I201 PolarHBondContact N-O 2.79Å; W154-I201 HydrophobicContact CB-CB 4.34Å; W154-I201 HydrophobicContact CB-CD1 3.55Å; W154-I201 HydrophobicContact CB-CG1 3.81Å; W154-I201 HydrophobicContact CD2-CB 4.11Å; W154-I201 HydrophobicContact CD2-CD1 4.31Å; W154-I201 HydrophobicContact CD2-CG1 4.48Å; W154-I201 HydrophobicContact CE3-CB 3.88Å; W154-I201 HydrophobicContact CG-CB 4.34Å; W154-I201 HydrophobicContact CG-CD1 3.73Å; W154-I201 HydrophobicContact CG-CG1 4.19Å; F199-I201 HydrophobicContact CD1-CG2 4.36Å; F199-I201 HydrophobicContact CD2-CG2 4.5Å; F199-I201 HydrophobicContact CE1-CG2 3.53Å; F199-I201 HydrophobicContact CE2-CG2 3.7Å; F199-I201 HydrophobicContact CZ-CG2 3.14Å
202	L	98.9	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.1	-176.6	172.5	61.5	0	0	0	109.7	L46 L47 V48 S49 A152 F178 R181 V182 I185 L235	L46-L202 HydrophobicContact CD1-CB 4.24Å; L47-L202 PolarHBondContact O-N 2.94Å; V48-L202 CarbonylContact C-O 3.48Å; V48-L202 WeakPolarHBondContact CA-O 3.45Å; V48-L202 HydrophobicContact CG1-CD2 4.17Å; V48-L202 HydrophobicContact CG1-CG 4.3Å; V48-L202 HydrophobicContact CG2-CB 4.35Å; V48-L202 HydrophobicContact CG2-CD2 4.26Å; S49-L202 PolarHBondContact N-O 2.8Å; A152-L202 HydrophobicContact CB-CD1 3.65Å; F178-L202 HydrophobicContact CE2-CD2 3.85Å; F178-L202 HydrophobicContact CE2-CG 4.22Å; F178-L202 HydrophobicContact CZ-CD2 3.87Å; R181-L202 HydrophobicContact CB-CD1 3.52Å; R181-L202 HydrophobicContact CG-CD1 4.47Å; V182-L202 HydrophobicContact CG2-CD2 3.9Å; I185-L202 HydrophobicContact CD1-CB 4.38Å; I185-L202 HydrophobicContact CG1-CB 4.3Å; I185-L202 HydrophobicContact CG1-CD1 4.43Å; L202-L235 HydrophobicContact CD2-CD2 4.4Å
203	Y	98.9	Very high	97.2	Very high	17 Å²	17	33.5 Å²	33.5	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.2	178.4	166.9	-95.7	0	0	0	111.4	D51 H91 A152 M153 Y172 R181 E205	D51-Y203 HydrophobicContact CB-CE2 3.85Å; D51-Y203 WeakPolarHBondContact OD2-CE2 3.47Å; D51-Y203 PolarHBondContact OD2-OH 3.33Å; H91-Y203 AromaticContact CE1-CD2 3.87Å; H91-Y203 AromaticContact CE1-CE2 3.72Å; H91-Y203 AromaticContact NE2-CD2 3.44Å; H91-Y203 WeakPolarHBondContact NE2-CD2 3.37Å; H91-Y203 AromaticContact NE2-CE2 3.79Å; A152-Y203 PolarHBondContact O-N 3.19Å; A152-Y203 VanDerWaalsContact O-N 3.1Å; M153-Y203 HydrophobicContact CB-CD1 4.45Å; M153-Y203 WeakPolarHBondContact O-CB 3.49Å; M153-Y203 VanDerWaalsContact O-CD1 3.3Å; M153-Y203 WeakPolarHBondContact O-CD1 3.4Å; Y172-Y203 HydrophobicContact CE2-CD1 4.47Å; Y172-Y203 AromaticContact CE2-CE1 3.96Å; Y172-Y203 HydrophobicContact CE2-CE1 3.96Å; R181-Y203 PolarHBondContact NH1-O 3.04Å; Y203-E205 HydrophobicContact CE1-CG 3.71Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.23Å
204	W	98.8	Very high	97.7	Very high	31 Å²	31	28.3 Å²	28.3	12%	0.117	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.4	172.7	-171.9	-108.2	0	0	0	110.9	S49 F50 D51 F178 E206 K231	S49-W204 PolarHBondContact O-N 2.89Å; F50-W204 HydrophobicContact CD1-CB 3.86Å; F50-W204 AromaticContact CD1-CD1 3.88Å; F50-W204 HydrophobicContact CD1-CG 4.2Å; F50-W204 HydrophobicContact CE1-CB 4.22Å; F50-W204 HydrophobicContact CE1-CG 4.43Å; D51-W204 WeakPolarHBondContact CB-O 3.4Å; D51-W204 PolarHBondContact N-O 3.41Å; F178-W204 HydrophobicContact CB-CD2 3.84Å; F178-W204 HydrophobicContact CB-CE3 3.61Å; F178-W204 HydrophobicContact CB-CH2 4.04Å; F178-W204 HydrophobicContact CB-CZ2 4.23Å; F178-W204 HydrophobicContact CB-CZ3 3.73Å; F178-W204 HydrophobicContact CD2-CB 3.75Å; F178-W204 AromaticContact CD2-CD2 3.68Å; F178-W204 HydrophobicContact CD2-CD2 3.68Å; F178-W204 AromaticContact CD2-CE3 3.79Å; F178-W204 HydrophobicContact CD2-CE3 3.79Å; F178-W204 AromaticContact CD2-CG 3.67Å; F178-W204 HydrophobicContact CD2-CG 3.67Å; F178-W204 HydrophobicContact CE2-CB 3.98Å; F178-W204 HydrophobicContact CE2-CG 4.28Å; F178-W204 HydrophobicContact CG-CD2 4.19Å; F178-W204 HydrophobicContact CG-CE3 4.21Å; W204-E206 PolarHBondContact O-N 3.18Å; W204-K231 HydrophobicContact CZ2-CD 4.32Å
205	E	98.6	Very high	98.2	Very high	16 Å²	16	27 Å²	27	8%	0.075	14%	0.135	C	C	.	.			trans	-77.2	-16	-167.7	-63.3	73.8	-172.5	0	0	114.7	Y172 R181 Y203 D208 E209	Y172-E205 WeakPolarHBondContact CE2-OE1 3.34Å; R181-E205 IonicContact CZ-OE1 2.65Å; R181-E205 VanDerWaalsContact CZ-OE1 3.23Å; R181-E205 IonicContact CZ-OE2 3.74Å; R181-E205 VanDerWaalsContact CZ-OE2 3.31Å; R181-E205 VanDerWaalsContact NH1-CD 3.29Å; R181-E205 IonicContact NH1-OE1 3.49Å; R181-E205 PolarHBondContact NH1-OE1 2.97Å; R181-E205 IonicContact NH1-OE2 2.86Å; R181-E205 PolarHBondContact NH1-OE2 2.69Å; R181-E205 VanDerWaalsContact NH2-CD 3.27Å; R181-E205 IonicContact NH2-OE1 3.46Å; R181-E205 PolarHBondContact NH2-OE1 3.35Å; R181-E205 IonicContact NH2-OE2 3.52Å; R181-E205 PolarHBondContact NH2-OE2 2.98Å; Y203-E205 HydrophobicContact CE1-CG 3.71Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.23Å; E205-D208 PolarHBondContact O-N 2.95Å; E205-E209 PolarHBondContact O-N 2.98Å
206	E	98.6	Very high	98.4	Very high	36 Å²	36	22.5 Å²	22.5	17%	0.168	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	143.9	-179.7	-70.5	-83	-140.9	0	0	110.8	D51 W204 S210 I228	D51-E206 CarbonylContact O-C 3.49Å; W204-E206 PolarHBondContact O-N 3.18Å; E206-S210 VanDerWaalsContact CD-OG 3.32Å; E206-S210 PolarHBondContact OE1-OG 2.82Å; E206-S210 WeakPolarHBondContact OE2-CB 3.39Å; E206-S210 PolarHBondContact OE2-N 3.22Å; E206-S210 PolarHBondContact OE2-OG 2.87Å; E206-I228 HydrophobicContact CB-CD1 4.24Å; E206-I228 HydrophobicContact CB-CG1 4.39Å
207	P	98.6	Very high	98.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.3	8.3	17.1	33.1	-35	0	0	0	117.3	D51 F53 Y57 G211 M221 I224 I228	D51-P207 WeakPolarHBondContact O-CD 3.3Å; D51-P207 VanDerWaalsContact O-N 3.1Å; F53-P207 HydrophobicContact CB-CG 3.94Å; F53-P207 HydrophobicContact CD2-CG 3.87Å; F53-P207 HydrophobicContact CG-CG 4.1Å; Y57-P207 HydrophobicContact CD2-CG 3.87Å; Y57-P207 HydrophobicContact CE2-CB 4.18Å; Y57-P207 HydrophobicContact CE2-CG 3.74Å; P207-G211 WeakPolarHBondContact O-CA 3.28Å; P207-G211 PolarHBondContact O-N 2.82Å; P207-M221 HydrophobicContact CB-CE 3.82Å; P207-I224 HydrophobicContact CB-CG2 4.19Å; P207-I228 HydrophobicContact CB-CD1 3.57Å; P207-I228 VanDerWaalsContact CD-CD1 3.49Å; P207-I228 HydrophobicContact CG-CD1 3.84Å
208	D	98.8	Very high	98.5	Very high	18 Å²	18	29 Å²	29	10%	0.096	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-50.5	-176	-172.4	-99.9	0	0	0	113.6	D51 E205 S210 G211 H212 H256 M258 H356	D51-D208 HydrophobicContact CB-CB 3.88Å; D51-D208 WeakPolarHBondContact O-CB 3.44Å; D51-D208 PolarHBondContact O-N 2.9Å; D51-D208 WeakPolarHBondContact OD1-CB 3.31Å; E205-D208 PolarHBondContact O-N 2.95Å; D208-S210 PolarHBondContact O-N 3.49Å; D208-G211 CarbonylContact O-C 3.42Å; D208-G211 WeakPolarHBondContact O-CA 3.48Å; D208-G211 PolarHBondContact O-N 3.19Å; D208-H212 PolarHBondContact O-N 3Å; D208-H212 IonicContact OD1-CD2 2.9Å; D208-H212 PolarHBondContact OD1-CD2 3.22Å; D208-H212 IonicContact OD1-NE2 2.93Å; D208-H212 IonicContact OD2-CD2 2.97Å; D208-H212 IonicContact OD2-NE2 2.67Å; D208-H256 IonicContact OD2-CE1 3.78Å; D208-H256 PolarHBondContact OD2-CE1 2.82Å; D208-M258 WeakPolarHBondContact OD2-CE 3.33Å; D208-H356 IonicContact OD2-CD2 2.76Å
209	E	98.1	Very high	98.4	Very high	113 Å²	113	32.7 Å²	32.7	53%	0.528	17%	0.169	S	C	.	.	H	α-helix	trans	-57.7	-48.9	-179.3	-177	177.8	176.9	0	0	111.7	E205 G211 H212 N213	E205-E209 PolarHBondContact O-N 2.98Å; E209-G211 VanDerWaalsContact C-N 3.31Å; E209-G211 PolarHBondContact O-N 2.84Å; E209-H212 PolarHBondContact O-N 3.21Å; E209-N213 WeakPolarHBondContact O-CB 2.94Å; E209-N213 PolarHBondContact O-N 2.72Å; E209-N213 VanDerWaalsContact O-N 3.13Å; E209-N213 PolarHBondContact O-ND2 2.79Å
210	S	98.6	Very high	98.4	Very high	13 Å²	13	38 Å²	38	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-35	173.6	-78	0	0	0	0	112.1	E206 D208 N213 L214 I224	E206-S210 VanDerWaalsContact CD-OG 3.32Å; E206-S210 PolarHBondContact OE1-OG 2.82Å; E206-S210 WeakPolarHBondContact OE2-CB 3.39Å; E206-S210 PolarHBondContact OE2-N 3.22Å; E206-S210 PolarHBondContact OE2-OG 2.87Å; D208-S210 PolarHBondContact O-N 3.49Å; S210-N213 PolarHBondContact O-N 3.32Å; S210-L214 VanDerWaalsContact O-CB 3.23Å; S210-L214 WeakPolarHBondContact O-CB 3.25Å; S210-L214 WeakPolarHBondContact O-CG 3.47Å; S210-L214 PolarHBondContact O-N 2.88Å; S210-I224 WeakPolarHBondContact OG-CD1 3.46Å
211	G	98.6	Very high	98.4	Very high	1 Å²	1	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-44.2	176.1	0	0	0	0	0	112.7	P207 D208 E209 G215 G354	P207-G211 WeakPolarHBondContact O-CA 3.28Å; P207-G211 PolarHBondContact O-N 2.82Å; D208-G211 CarbonylContact O-C 3.42Å; D208-G211 WeakPolarHBondContact O-CA 3.48Å; D208-G211 PolarHBondContact O-N 3.19Å; E209-G211 VanDerWaalsContact C-N 3.31Å; E209-G211 PolarHBondContact O-N 2.84Å; G211-G215 WeakPolarHBondContact O-CA 3.44Å; G211-G215 PolarHBondContact O-N 2.89Å; G211-G354 VanDerWaalsContact O-CA 3.31Å; G211-G354 WeakPolarHBondContact O-CA 3.48Å; G211-G354 PolarHBondContact O-N 3.08Å
212	H	98.3	Very high	98.4	Very high	29 Å²	29	40.9 Å²	40.9	13%	0.134	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-46.2	172.2	-85	-58.4	0	0	0	112.7	D208 E209 M352 F353 G354 N355 H356	D208-H212 PolarHBondContact O-N 3Å; D208-H212 IonicContact OD1-CD2 2.9Å; D208-H212 PolarHBondContact OD1-CD2 3.22Å; D208-H212 IonicContact OD1-NE2 2.93Å; D208-H212 IonicContact OD2-CD2 2.97Å; D208-H212 IonicContact OD2-NE2 2.67Å; E209-H212 PolarHBondContact O-N 3.21Å; H212-M352 PolarHBondContact ND1-SD 3.31Å; H212-M352 VanDerWaalsContact ND1-SD 3.44Å; H212-F353 PolarHBondContact O-N 3.35Å; H212-G354 PolarHBondContact ND1-O 3.4Å; H212-G354 PolarHBondContact O-N 2.82Å; H212-G354 VanDerWaalsContact O-N 3.17Å; H212-N355 PolarHBondContact CE1-OD1 2.79Å; H212-H356 AromaticContact CE1-CD2 3.53Å; H212-H356 AromaticContact CE1-NE2 3.8Å; H212-H356 AromaticContact NE2-CD2 3.38Å; H212-H356 PolarHBondContact NE2-CD2 3.05Å; H212-H356 AromaticContact NE2-NE2 3.34Å; H212-H356 PolarHBondContact NE2-NE2 3.12Å
213	N	98.1	Very high	98.4	Very high	100 Å²	100	44.4 Å²	44.4	54%	0.535	24%	0.242	S	C	.	.	H	α-helix	trans	-76	-28	-173.9	-76.3	-53.5	0	0	0	114.5	E209 S210 F353	E209-N213 WeakPolarHBondContact O-CB 2.94Å; E209-N213 PolarHBondContact O-N 2.72Å; E209-N213 VanDerWaalsContact O-N 3.13Å; E209-N213 PolarHBondContact O-ND2 2.79Å; S210-N213 PolarHBondContact O-N 3.32Å; N213-F353 WeakPolarHBondContact O-CD2 3.31Å
214	L	98.1	Very high	98.4	Very high	54 Å²	54	45.8 Å²	45.8	28%	0.283	25%	0.25	S	C	.	.	H	α-helix	trans	-115.9	-25.5	-173.3	-55.3	174.2	0	0	0	112.8	S210 S218 L220 M221	S210-L214 VanDerWaalsContact O-CB 3.23Å; S210-L214 WeakPolarHBondContact O-CB 3.25Å; S210-L214 WeakPolarHBondContact O-CG 3.47Å; S210-L214 PolarHBondContact O-N 2.88Å; L214-S218 WeakPolarHBondContact O-CB 3.48Å; L214-L220 HydrophobicContact CD1-CB 3.9Å; L214-L220 HydrophobicContact CD2-CD1 4.07Å; L214-M221 HydrophobicContact CB-SD 4.13Å; L214-M221 HydrophobicContact CD1-SD 3.97Å
215	G	98.2	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.			trans	84.7	139.8	-170.5	0	0	0	0	0	111.8	G211 Q217 S218	G211-G215 WeakPolarHBondContact O-CA 3.44Å; G211-G215 PolarHBondContact O-N 2.89Å; G215-Q217 PolarHBondContact O-N 2.98Å; G215-S218 WeakPolarHBondContact O-CB 3.32Å; G215-S218 PolarHBondContact O-N 3.45Å
216	P	98.1	Very high	98.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	-175	28.8	-37.8	0	0	0	113.5	Y57 R60 M258 A259 Q260	Y57-P216 WeakPolarHBondContact OH-CB 3.41Å; R60-P216 PolarHBondContact NH1-O 2.88Å; P216-M258 HydrophobicContact CB-CB 4.14Å; P216-M258 HydrophobicContact CB-CG 3.81Å; P216-M258 HydrophobicContact CG-CB 4.46Å; P216-M258 HydrophobicContact CG-CG 3.85Å; P216-A259 VanDerWaalsContact CG-C 3.44Å; P216-Q260 HydrophobicContact CG-CB 4.01Å
217	Q	97.6	Very high	98.4	Very high	130 Å²	130	44.4 Å²	44.4	61%	0.607	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.2	177	-62.2	178.3	5.4	0	0	113.5	G215 Q260	G215-Q217 PolarHBondContact O-N 2.98Å; Q217-Q260 HydrophobicContact CB-CG 4.46Å; Q217-Q260 HydrophobicContact CG-CB 4.07Å; Q217-Q260 HydrophobicContact CG-CG 4.25Å; Q217-Q260 VanDerWaalsContact N-OE1 3.13Å
218	S	98.1	Very high	98.4	Very high	26 Å²	26	44.5 Å²	44.5	18%	0.182	26%	0.256	C	S	.	.			trans	-67.9	130.4	-180	176.8	0	0	0	0	111.6	R60 L214 G215 L220 M221	R60-S218 PolarHBondContact NH2-O 2.68Å; L214-S218 WeakPolarHBondContact O-CB 3.48Å; G215-S218 WeakPolarHBondContact O-CB 3.32Å; G215-S218 PolarHBondContact O-N 3.45Å; S218-L220 PolarHBondContact O-N 2.87Å; S218-L220 PolarHBondContact OG-N 3.24Å; S218-M221 WeakPolarHBondContact O-CB 3.46Å; S218-M221 WeakPolarHBondContact O-CG 3.44Å; S218-M221 PolarHBondContact O-N 3.38Å
219	P	98	Very high	98.4	Very high	99 Å²	99	43.8 Å²	43.8	64%	0.643	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.8	174.6	-26	35.4	0	0	0	114.2	M221 D222	P219-M221 PolarHBondContact O-N 3.49Å; P219-D222 VanDerWaalsContact O-CB 3.27Å; P219-D222 WeakPolarHBondContact O-CB 3.42Å; P219-D222 VanDerWaalsContact O-CG 3.25Å; P219-D222 PolarHBondContact O-N 3.02Å; P219-D222 VanDerWaalsContact O-N 3.15Å
220	L	98.4	Very high	98.5	Very high	112 Å²	112	45.3 Å²	45.3	59%	0.586	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.9	174.8	-63.5	175	0	0	0	112.5	L214 S218 D222 A223	L214-L220 HydrophobicContact CD1-CB 3.9Å; L214-L220 HydrophobicContact CD2-CD1 4.07Å; S218-L220 PolarHBondContact O-N 2.87Å; S218-L220 PolarHBondContact OG-N 3.24Å; L220-D222 PolarHBondContact O-N 2.9Å; L220-A223 PolarHBondContact O-N 2.9Å
221	M	98.6	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-23	173	-65.4	-57.1	-61.4	0	0	113	P207 L214 S218 P219 A223 I224 I225	P207-M221 HydrophobicContact CB-CE 3.82Å; L214-M221 HydrophobicContact CB-SD 4.13Å; L214-M221 HydrophobicContact CD1-SD 3.97Å; S218-M221 WeakPolarHBondContact O-CB 3.46Å; S218-M221 WeakPolarHBondContact O-CG 3.44Å; S218-M221 PolarHBondContact O-N 3.38Å; P219-M221 PolarHBondContact O-N 3.49Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.97Å; M221-I224 HydrophobicContact CE-CB 4.38Å; M221-I224 HydrophobicContact CE-CG2 4.34Å; M221-I224 PolarHBondContact O-N 3.34Å; M221-I224 VanDerWaalsContact O-N 3.12Å; M221-I225 HydrophobicContact CB-CD1 4.21Å; M221-I225 WeakPolarHBondContact O-CD1 3.41Å; M221-I225 VanDerWaalsContact O-CG1 3.27Å; M221-I225 WeakPolarHBondContact O-CG1 3.03Å; M221-I225 PolarHBondContact O-N 3.03Å
222	D	98.6	Very high	98.5	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-58.8	-40.8	-178.6	-65.6	9	0	0	0	111.1	R60 V61 P219 L220 A226	R60-D222 IonicContact CZ-OD1 2.76Å; R60-D222 IonicContact NE-OD1 2.67Å; R60-D222 PolarHBondContact NE-OD1 3.02Å; R60-D222 IonicContact NH2-OD1 3.28Å; R60-D222 PolarHBondContact NH2-OD1 2.82Å; V61-D222 HydrophobicContact CG1-CB 3.68Å; P219-D222 VanDerWaalsContact O-CB 3.27Å; P219-D222 WeakPolarHBondContact O-CB 3.42Å; P219-D222 VanDerWaalsContact O-CG 3.25Å; P219-D222 PolarHBondContact O-N 3.02Å; P219-D222 VanDerWaalsContact O-N 3.15Å; L220-D222 PolarHBondContact O-N 2.9Å; D222-A226 WeakPolarHBondContact O-CB 3.44Å; D222-A226 PolarHBondContact O-N 3.25Å; D222-A226 VanDerWaalsContact O-N 3.11Å
223	A	98.6	Very high	98.5	Very high	74 Å²	74	45.9 Å²	45.9	61%	0.612	26%	0.262	S	S	*	.	H	α-helix	trans	-72.7	-34.9	177.1	0	0	0	0	0	112.8	L220 M221 G227	L220-A223 PolarHBondContact O-N 2.9Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.97Å; A223-G227 PolarHBondContact O-N 2.88Å
224	I	98.8	Very high	98.6	Very high	45 Å²	45	43.9 Å²	43.9	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-48.2	176.7	-55.2	-60	0	0	0	110.1	P207 S210 M221 A226 G227 I228	P207-I224 HydrophobicContact CB-CG2 4.19Å; S210-I224 WeakPolarHBondContact OG-CD1 3.46Å; M221-I224 HydrophobicContact CE-CB 4.38Å; M221-I224 HydrophobicContact CE-CG2 4.34Å; M221-I224 PolarHBondContact O-N 3.34Å; M221-I224 VanDerWaalsContact O-N 3.12Å; I224-A226 PolarHBondContact O-N 3.46Å; I224-G227 PolarHBondContact O-N 2.97Å; I224-G227 VanDerWaalsContact O-N 3.13Å; I224-I228 HydrophobicContact CG2-CD1 3.99Å; I224-I228 WeakPolarHBondContact O-CD1 3.46Å; I224-I228 WeakPolarHBondContact O-CG1 3.41Å; I224-I228 PolarHBondContact O-N 3.4Å
225	I	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-41.8	179.4	-63.7	162.4	0	0	0	110.9	F53 Y57 V61 T63 M221 I228 D229	F53-I225 HydrophobicContact CE2-CG2 4.41Å; F53-I225 HydrophobicContact CZ-CG2 4.05Å; Y57-I225 HydrophobicContact CD1-CD1 3.81Å; Y57-I225 HydrophobicContact CD2-CD1 3.98Å; Y57-I225 HydrophobicContact CD2-CG1 4.07Å; Y57-I225 HydrophobicContact CE1-CD1 4.34Å; Y57-I225 HydrophobicContact CG-CD1 3.59Å; Y57-I225 HydrophobicContact CG-CG1 4.08Å; Y57-I225 WeakPolarHBondContact O-CG2 3.41Å; V61-I225 HydrophobicContact CG2-CB 4.01Å; V61-I225 HydrophobicContact CG2-CG2 3.59Å; T63-I225 HydrophobicContact CG2-CG2 4.22Å; M221-I225 HydrophobicContact CB-CD1 4.21Å; M221-I225 WeakPolarHBondContact O-CD1 3.41Å; M221-I225 VanDerWaalsContact O-CG1 3.27Å; M221-I225 WeakPolarHBondContact O-CG1 3.03Å; M221-I225 PolarHBondContact O-N 3.03Å; I225-I228 PolarHBondContact O-N 2.78Å; I225-D229 PolarHBondContact O-N 3.03Å; I225-D229 VanDerWaalsContact O-N 3.12Å
226	A	98.8	Very high	98.6	Very high	33 Å²	33	41.4 Å²	41.4	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-44.5	172.5	0	0	0	0	0	111.8	V61 D222 I224 I228 D229 E230	V61-A226 HydrophobicContact CG2-CB 4.39Å; D222-A226 WeakPolarHBondContact O-CB 3.44Å; D222-A226 PolarHBondContact O-N 3.25Å; D222-A226 VanDerWaalsContact O-N 3.11Å; I224-A226 PolarHBondContact O-N 3.46Å; A226-I228 VanDerWaalsContact C-N 3.26Å; A226-I228 PolarHBondContact O-N 3.36Å; A226-D229 PolarHBondContact O-N 3.3Å; A226-D229 VanDerWaalsContact O-N 3.15Å; A226-E230 PolarHBondContact O-N 2.81Å
227	G	98.8	Very high	98.7	Very high	21 Å²	21	45 Å²	45	22%	0.216	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-27.3	176	0	0	0	0	0	114.3	A223 I224 K231	A223-G227 PolarHBondContact O-N 2.88Å; I224-G227 PolarHBondContact O-N 2.97Å; I224-G227 VanDerWaalsContact O-N 3.13Å; G227-K231 WeakPolarHBondContact O-CG 3.38Å; G227-K231 PolarHBondContact O-N 3.42Å
228	I	98.8	Very high	98.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-75.9	-38.3	173.4	-65.2	149.7	0	0	0	111.4	F50 F53 F66 E206 P207 I224 I225 A226 E230 K231 L232	F50-I228 HydrophobicContact CB-CG2 4.33Å; F50-I228 HydrophobicContact CD1-CG2 3.61Å; F50-I228 HydrophobicContact CD2-CG2 3.96Å; F50-I228 HydrophobicContact CE1-CG2 3.77Å; F50-I228 HydrophobicContact CE2-CG2 4.09Å; F50-I228 HydrophobicContact CG-CG2 3.71Å; F50-I228 HydrophobicContact CZ-CG2 4.01Å; F53-I228 HydrophobicContact CD2-CB 4.5Å; F53-I228 HydrophobicContact CD2-CD1 4.18Å; F53-I228 HydrophobicContact CD2-CG2 3.79Å; F53-I228 HydrophobicContact CE2-CB 4.04Å; F53-I228 HydrophobicContact CE2-CD1 4.18Å; F53-I228 HydrophobicContact CE2-CG2 3.58Å; F66-I228 HydrophobicContact CE2-CG2 4.32Å; E206-I228 HydrophobicContact CB-CD1 4.24Å; E206-I228 HydrophobicContact CB-CG1 4.39Å; P207-I228 HydrophobicContact CB-CD1 3.57Å; P207-I228 VanDerWaalsContact CD-CD1 3.49Å; P207-I228 HydrophobicContact CG-CD1 3.84Å; I224-I228 HydrophobicContact CG2-CD1 3.99Å; I224-I228 WeakPolarHBondContact O-CD1 3.46Å; I224-I228 WeakPolarHBondContact O-CG1 3.41Å; I224-I228 PolarHBondContact O-N 3.4Å; I225-I228 PolarHBondContact O-N 2.78Å; A226-I228 VanDerWaalsContact C-N 3.26Å; A226-I228 PolarHBondContact O-N 3.36Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-K231 WeakPolarHBondContact O-CB 3.42Å; I228-K231 PolarHBondContact O-N 2.93Å; I228-L232 PolarHBondContact O-N 2.88Å
229	D	98.9	Very high	98.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-38.8	171.3	-173.2	87.8	0	0	0	111.6	T63 P64 N65 F66 I225 A226 K231 L232 G233	T63-D229 VanDerWaalsContact C-CG 3.5Å; T63-D229 VanDerWaalsContact CA-CG 3.42Å; T63-D229 WeakPolarHBondContact CA-OD1 3.38Å; T63-D229 VanDerWaalsContact CB-OD1 3.23Å; T63-D229 WeakPolarHBondContact CB-OD1 3.44Å; T63-D229 HydrophobicContact CG2-CB 4.05Å; P64-D229 WeakPolarHBondContact CD-OD2 3.42Å; P64-D229 WeakPolarHBondContact CG-OD2 3.43Å; N65-D229 WeakPolarHBondContact CA-OD1 3.29Å; N65-D229 WeakPolarHBondContact CB-OD1 3.49Å; N65-D229 WeakPolarHBondContact CB-OD2 3.43Å; N65-D229 PolarHBondContact N-OD1 2.89Å; N65-D229 PolarHBondContact N-OD2 3.23Å; N65-D229 VanDerWaalsContact N-OD2 3.11Å; N65-D229 PolarHBondContact ND2-O 2.92Å; N65-D229 VanDerWaalsContact ND2-O 3.14Å; N65-D229 PolarHBondContact ND2-OD2 3.45Å; F66-D229 HydrophobicContact CD2-CB 4.26Å; F66-D229 WeakPolarHBondContact CD2-OD1 3.37Å; F66-D229 PolarHBondContact N-OD1 3.39Å; I225-D229 PolarHBondContact O-N 3.03Å; I225-D229 VanDerWaalsContact O-N 3.12Å; A226-D229 PolarHBondContact O-N 3.3Å; A226-D229 VanDerWaalsContact O-N 3.15Å; D229-K231 PolarHBondContact O-N 3.4Å; D229-L232 WeakPolarHBondContact O-CB 3.25Å; D229-L232 PolarHBondContact O-N 2.65Å; D229-G233 PolarHBondContact O-N 2.81Å
230	E	98.9	Very high	98.8	Very high	144 Å²	144	39.1 Å²	39.1	67%	0.673	21%	0.214	S	C	*	.	H	α-helix	trans	-60.6	-42.2	171.7	-71.4	-179.5	178.6	0	0	112.2	A226 I228 G233 F234	A226-E230 PolarHBondContact O-N 2.81Å; I228-E230 VanDerWaalsContact C-N 3.33Å; E230-G233 PolarHBondContact O-N 2.82Å; E230-F234 PolarHBondContact O-N 3.41Å
231	K	98.9	Very high	98.8	Very high	48 Å²	48	40.6 Å²	40.6	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-43.1	173.8	-79	-179.5	-171.1	-32.1	0	112	F178 E179 W204 G227 I228 D229 G233 F234 L235	F178-K231 HydrophobicContact CB-CD 3.82Å; F178-K231 HydrophobicContact CB-CG 4.35Å; F178-K231 HydrophobicContact CD1-CB 3.67Å; F178-K231 HydrophobicContact CD1-CD 4.13Å; F178-K231 HydrophobicContact CD1-CG 3.9Å; F178-K231 HydrophobicContact CE1-CB 3.79Å; F178-K231 VanDerWaalsContact CE1-O 3.24Å; F178-K231 WeakPolarHBondContact CE1-O 3.42Å; F178-K231 HydrophobicContact CG-CB 4.25Å; F178-K231 HydrophobicContact CG-CD 3.92Å; F178-K231 HydrophobicContact CG-CG 4.22Å; F178-K231 HydrophobicContact CZ-CB 4.45Å; E179-K231 IonicContact OE1-NZ 3.6Å; E179-K231 PolarHBondContact OE1-NZ 2.81Å; W204-K231 HydrophobicContact CZ2-CD 4.32Å; G227-K231 WeakPolarHBondContact O-CG 3.38Å; G227-K231 PolarHBondContact O-N 3.42Å; I228-K231 WeakPolarHBondContact O-CB 3.42Å; I228-K231 PolarHBondContact O-N 2.93Å; D229-K231 PolarHBondContact O-N 3.4Å; K231-G233 VanDerWaalsContact C-N 3.32Å; K231-G233 PolarHBondContact O-N 3.21Å; K231-F234 WeakPolarHBondContact O-CB 2.9Å; K231-F234 PolarHBondContact O-N 2.7Å; K231-L235 PolarHBondContact O-N 3.06Å; K231-L235 VanDerWaalsContact O-N 3.08Å
232	L	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-43.6	173.9	-176.9	52.4	0	0	0	110.9	F50 N65 F66 I69 I228 D229 F234 L235 L236 V252	F50-L232 HydrophobicContact CE2-CB 4.31Å; F50-L232 HydrophobicContact CE2-CD1 4.38Å; F50-L232 HydrophobicContact CZ-CB 4.2Å; N65-L232 HydrophobicContact CB-CB 4.34Å; N65-L232 HydrophobicContact CB-CG 4.24Å; F66-L232 HydrophobicContact CB-CD2 4.47Å; F66-L232 HydrophobicContact CD1-CD2 3.81Å; F66-L232 HydrophobicContact CD2-CD2 3.56Å; F66-L232 HydrophobicContact CE1-CD2 3.85Å; F66-L232 HydrophobicContact CE2-CD2 3.6Å; F66-L232 HydrophobicContact CG-CD2 3.67Å; F66-L232 HydrophobicContact CZ-CD2 3.75Å; I69-L232 HydrophobicContact CD1-CD1 3.93Å; I69-L232 HydrophobicContact CD1-CD2 3.78Å; I69-L232 HydrophobicContact CD1-CG 4.07Å; I228-L232 PolarHBondContact O-N 2.88Å; D229-L232 WeakPolarHBondContact O-CB 3.25Å; D229-L232 PolarHBondContact O-N 2.65Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 3.35Å; L232-L235 HydrophobicContact CD1-CD2 4.35Å; L232-L235 WeakPolarHBondContact O-CB 3.22Å; L232-L235 PolarHBondContact O-N 2.99Å; L232-L235 VanDerWaalsContact O-N 3.09Å; L232-L236 HydrophobicContact CD1-CD2 4.48Å; L232-L236 HydrophobicContact CD1-CG 4.5Å; L232-L236 WeakPolarHBondContact O-CG 3.43Å; L232-L236 PolarHBondContact O-N 3.17Å; L232-V252 HydrophobicContact CD1-CG2 3.89Å; L232-V252 HydrophobicContact CD2-CG1 4.36Å
233	G	98.9	Very high	98.8	Very high	7 Å²	7	41.5 Å²	41.5	7%	0.072	24%	0.236	C	C	.	.	H	α-helix	trans	-55.5	-44.6	172.3	0	0	0	0	0	113.4	N65 D229 E230 K231 L235 L236 D237	N65-G233 WeakPolarHBondContact OD1-CA 3.37Å; D229-G233 PolarHBondContact O-N 2.81Å; E230-G233 PolarHBondContact O-N 2.82Å; K231-G233 VanDerWaalsContact C-N 3.32Å; K231-G233 PolarHBondContact O-N 3.21Å; G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 2.88Å; G233-L236 PolarHBondContact O-N 3.15Å; G233-D237 WeakPolarHBondContact O-CB 2.99Å; G233-D237 PolarHBondContact O-N 3.15Å
234	F	98.9	Very high	98.8	Very high	59 Å²	59	38.4 Å²	38.4	26%	0.259	21%	0.209	S	C	.	.	H	α-helix	trans	-57.4	-44.3	173.6	179.9	-91.9	0	0	0	112.2	E179 V182 E230 K231 L232 D237 E238	E179-F234 HydrophobicContact CB-CD1 4.11Å; E179-F234 HydrophobicContact CB-CE1 3.62Å; E179-F234 HydrophobicContact CB-CE2 4.43Å; E179-F234 HydrophobicContact CB-CZ 3.81Å; E179-F234 HydrophobicContact CG-CD1 3.99Å; E179-F234 HydrophobicContact CG-CD2 4.42Å; E179-F234 HydrophobicContact CG-CE1 4Å; E179-F234 HydrophobicContact CG-CE2 4.43Å; E179-F234 HydrophobicContact CG-CG 4.22Å; E179-F234 HydrophobicContact CG-CZ 4.23Å; V182-F234 HydrophobicContact CB-CD1 4.21Å; V182-F234 HydrophobicContact CB-CE1 3.96Å; V182-F234 HydrophobicContact CG1-CD1 3.95Å; V182-F234 HydrophobicContact CG1-CE1 3.71Å; V182-F234 HydrophobicContact CG2-CD1 4.39Å; E230-F234 PolarHBondContact O-N 3.41Å; K231-F234 WeakPolarHBondContact O-CB 2.9Å; K231-F234 PolarHBondContact O-N 2.7Å; L232-F234 VanDerWaalsContact C-N 3.34Å; L232-F234 PolarHBondContact O-N 3.35Å; F234-D237 PolarHBondContact O-N 3.13Å; F234-E238 HydrophobicContact CD1-CG 4.18Å; F234-E238 HydrophobicContact CE1-CG 3.67Å; F234-E238 HydrophobicContact CE2-CG 4.16Å; F234-E238 HydrophobicContact CZ-CG 3.65Å; F234-E238 WeakPolarHBondContact O-CG 3.39Å; F234-E238 PolarHBondContact O-N 3.31Å
235	L	98.9	Very high	98.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-45.8	174.6	170.2	63	0	0	0	112.1	L46 V48 F178 V182 L202 K231 L232 G233 D237 E238 L239 L250	L46-L235 HydrophobicContact CD2-CD1 4.01Å; L46-L235 HydrophobicContact CD2-CD2 4.26Å; V48-L235 HydrophobicContact CG2-CD2 3.68Å; F178-L235 HydrophobicContact CE1-CB 4.35Å; V182-L235 HydrophobicContact CG1-CB 4.39Å; V182-L235 HydrophobicContact CG1-CD1 3.86Å; V182-L235 HydrophobicContact CG2-CB 4.11Å; V182-L235 HydrophobicContact CG2-CD1 4.15Å; L202-L235 HydrophobicContact CD2-CD2 4.4Å; K231-L235 PolarHBondContact O-N 3.06Å; K231-L235 VanDerWaalsContact O-N 3.08Å; L232-L235 HydrophobicContact CD1-CD2 4.35Å; L232-L235 WeakPolarHBondContact O-CB 3.22Å; L232-L235 PolarHBondContact O-N 2.99Å; L232-L235 VanDerWaalsContact O-N 3.09Å; G233-L235 VanDerWaalsContact C-N 3.34Å; G233-L235 PolarHBondContact O-N 2.88Å; L235-D237 VanDerWaalsContact C-N 3.29Å; L235-D237 PolarHBondContact O-N 2.84Å; L235-E238 PolarHBondContact O-N 3.32Å; L235-L239 HydrophobicContact CD1-CD1 4.01Å; L235-L239 HydrophobicContact CD1-CG 4.07Å; L235-L239 HydrophobicContact CG-CD1 4.07Å; L235-L239 WeakPolarHBondContact O-CB 3.09Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.05Å; L235-L250 HydrophobicContact CD2-CD1 4.26Å
236	L	98.9	Very high	98.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-39.2	178.9	-60.2	179.5	0	0	0	111.4	N65 I69 L232 G233 L239 K240 Y245 L250	N65-L236 HydrophobicContact CB-CD1 4.09Å; I69-L236 HydrophobicContact CD1-CD1 4.27Å; I69-L236 HydrophobicContact CD1-CD2 3.99Å; I69-L236 HydrophobicContact CG1-CD1 4.21Å; I69-L236 HydrophobicContact CG1-CD2 4.19Å; L232-L236 HydrophobicContact CD1-CD2 4.48Å; L232-L236 HydrophobicContact CD1-CG 4.5Å; L232-L236 WeakPolarHBondContact O-CG 3.43Å; L232-L236 PolarHBondContact O-N 3.17Å; G233-L236 PolarHBondContact O-N 3.15Å; L236-L239 PolarHBondContact O-N 2.99Å; L236-K240 WeakPolarHBondContact O-CD 3.35Å; L236-K240 VanDerWaalsContact O-CG 3.23Å; L236-K240 WeakPolarHBondContact O-CG 3.39Å; L236-K240 PolarHBondContact O-N 3.41Å; L236-Y245 HydrophobicContact CB-CE2 4Å; L236-Y245 HydrophobicContact CD2-CE2 3.77Å; L236-Y245 HydrophobicContact CG-CE2 4.33Å; L236-L250 HydrophobicContact CD2-CD2 3.48Å; L236-L250 VanDerWaalsContact CD2-CD2 3.48Å
237	D	98.9	Very high	98.6	Very high	77 Å²	77	48.2 Å²	48.2	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-69	-41.9	177.6	-86	0.5	0	0	0	113	G233 F234 L235 K240 K241	G233-D237 WeakPolarHBondContact O-CB 2.99Å; G233-D237 PolarHBondContact O-N 3.15Å; F234-D237 PolarHBondContact O-N 3.13Å; L235-D237 VanDerWaalsContact C-N 3.29Å; L235-D237 PolarHBondContact O-N 2.84Å; D237-K240 PolarHBondContact O-N 2.89Å; D237-K241 VanDerWaalsContact O-CG 3.24Å; D237-K241 WeakPolarHBondContact O-CG 3.31Å; D237-K241 PolarHBondContact O-N 3.19Å
238	E	98.9	Very high	98.6	Very high	37 Å²	37	47.2 Å²	47.2	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-37.5	174.8	-64.8	-63.5	107.2	0	0	111.5	V182 I186 F234 L235 K240 K241 A242	V182-E238 HydrophobicContact CG1-CB 4.12Å; V182-E238 HydrophobicContact CG1-CG 4.14Å; I186-E238 HydrophobicContact CD1-CB 4.08Å; I186-E238 HydrophobicContact CG1-CB 3.89Å; F234-E238 HydrophobicContact CD1-CG 4.18Å; F234-E238 HydrophobicContact CE1-CG 3.67Å; F234-E238 HydrophobicContact CE2-CG 4.16Å; F234-E238 HydrophobicContact CZ-CG 3.65Å; F234-E238 WeakPolarHBondContact O-CG 3.39Å; F234-E238 PolarHBondContact O-N 3.31Å; L235-E238 PolarHBondContact O-N 3.32Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 2.89Å; E238-K241 VanDerWaalsContact OE1-CD 3.29Å; E238-K241 WeakPolarHBondContact OE1-CD 3.47Å; E238-K241 WeakPolarHBondContact OE1-CE 3.43Å; E238-K241 IonicContact OE1-NZ 3.14Å; E238-K241 PolarHBondContact OE1-NZ 3.18Å; E238-A242 WeakPolarHBondContact O-CB 3.37Å; E238-A242 PolarHBondContact O-N 3.26Å
239	L	98.9	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-39.6	171	-76.1	169.7	0	0	0	112	I186 L235 L236 G243 L244 Y245 V248 L250	I186-L239 HydrophobicContact CD1-CB 4.44Å; I186-L239 HydrophobicContact CD1-CD2 3.63Å; I186-L239 HydrophobicContact CD1-CG 3.86Å; L235-L239 HydrophobicContact CD1-CD1 4.01Å; L235-L239 HydrophobicContact CD1-CG 4.07Å; L235-L239 HydrophobicContact CG-CD1 4.07Å; L235-L239 WeakPolarHBondContact O-CB 3.09Å; L235-L239 WeakPolarHBondContact O-CG 3.48Å; L235-L239 PolarHBondContact O-N 3.05Å; L236-L239 PolarHBondContact O-N 2.99Å; L239-G243 PolarHBondContact O-N 3.44Å; L239-L244 HydrophobicContact CD2-CB 3.76Å; L239-L244 HydrophobicContact CD2-CD1 4.2Å; L239-L244 WeakPolarHBondContact O-CA 3.15Å; L239-L244 PolarHBondContact O-N 2.98Å; L239-Y245 HydrophobicContact CB-CD2 4.07Å; L239-Y245 PolarHBondContact O-N 3.2Å; L239-V248 HydrophobicContact CD2-CB 4.49Å; L239-V248 HydrophobicContact CD2-CG2 4.35Å; L239-L250 HydrophobicContact CD1-CD2 4.38Å
240	K	98.8	Very high	98.6	Very high	95 Å²	95	47 Å²	47	41%	0.413	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-48.7	175.7	-72.8	163.5	-171.9	169.5	0	111.3	L236 D237 E238 A242 G243 Y245	L236-K240 WeakPolarHBondContact O-CD 3.35Å; L236-K240 VanDerWaalsContact O-CG 3.23Å; L236-K240 WeakPolarHBondContact O-CG 3.39Å; L236-K240 PolarHBondContact O-N 3.41Å; D237-K240 PolarHBondContact O-N 2.89Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.48Å; K240-A242 VanDerWaalsContact C-N 3.29Å; K240-A242 PolarHBondContact O-N 3.43Å; K240-G243 PolarHBondContact O-N 2.95Å; K240-Y245 HydrophobicContact CD-CD2 4.35Å; K240-Y245 HydrophobicContact CD-CE2 4.5Å; K240-Y245 HydrophobicContact CG-CD1 4.26Å; K240-Y245 HydrophobicContact CG-CD2 3.71Å; K240-Y245 HydrophobicContact CG-CE2 4.33Å; K240-Y245 HydrophobicContact CG-CG 3.67Å
241	K	98.8	Very high	98.6	Very high	143 Å²	143	40.1 Å²	40.1	62%	0.622	20%	0.202	S	C	*	.	H	α-helix	trans	-59.4	-37.4	178.4	-69.2	164.8	-157.2	165.6	0	112.6	D237 E238 G243	D237-K241 VanDerWaalsContact O-CG 3.24Å; D237-K241 WeakPolarHBondContact O-CG 3.31Å; D237-K241 PolarHBondContact O-N 3.19Å; E238-K241 PolarHBondContact O-N 2.89Å; E238-K241 VanDerWaalsContact OE1-CD 3.29Å; E238-K241 WeakPolarHBondContact OE1-CD 3.47Å; E238-K241 WeakPolarHBondContact OE1-CE 3.43Å; E238-K241 IonicContact OE1-NZ 3.14Å; E238-K241 PolarHBondContact OE1-NZ 3.18Å; K241-G243 VanDerWaalsContact C-N 3.27Å; K241-G243 PolarHBondContact O-N 3.35Å
242	A	98.5	Very high	98.6	Very high	39 Å²	39	37.9 Å²	37.9	32%	0.322	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.3	176.8	0	0	0	0	0	114.3	I186 E238 K240 L244	I186-A242 HydrophobicContact CG2-CB 3.71Å; E238-A242 WeakPolarHBondContact O-CB 3.37Å; E238-A242 PolarHBondContact O-N 3.26Å; K240-A242 VanDerWaalsContact C-N 3.29Å; K240-A242 PolarHBondContact O-N 3.43Å; A242-L244 HydrophobicContact CB-CB 4.36Å; A242-L244 HydrophobicContact CB-CD1 3.82Å; A242-L244 HydrophobicContact CB-CG 3.85Å; A242-L244 PolarHBondContact O-N 3.28Å
243	G	98.3	Very high	98.6	Very high	41 Å²	41	38 Å²	38	42%	0.423	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	24.4	-174	0	0	0	0	0	113.5	L239 K240 K241 K247	L239-G243 PolarHBondContact O-N 3.44Å; K240-G243 PolarHBondContact O-N 2.95Å; K241-G243 VanDerWaalsContact C-N 3.27Å; K241-G243 PolarHBondContact O-N 3.35Å; G243-K247 WeakPolarHBondContact O-CD 3.44Å; G243-K247 WeakPolarHBondContact O-CE 3.38Å
244	L	98.4	Very high	98.6	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.19	C	C	.	.			trans	-96.3	-23.2	-179.2	-72	176.6	0	0	0	113	I186 F189 L239 A242 E246 K247 V248	I186-L244 HydrophobicContact CD1-CD1 4.08Å; F189-L244 HydrophobicContact CB-CD1 3.51Å; F189-L244 HydrophobicContact CB-CD2 4.12Å; F189-L244 HydrophobicContact CB-CG 4.49Å; F189-L244 HydrophobicContact CG-CD1 4.45Å; L239-L244 HydrophobicContact CD2-CB 3.76Å; L239-L244 HydrophobicContact CD2-CD1 4.2Å; L239-L244 WeakPolarHBondContact O-CA 3.15Å; L239-L244 PolarHBondContact O-N 2.98Å; A242-L244 HydrophobicContact CB-CB 4.36Å; A242-L244 HydrophobicContact CB-CD1 3.82Å; A242-L244 HydrophobicContact CB-CG 3.85Å; A242-L244 PolarHBondContact O-N 3.28Å; L244-E246 PolarHBondContact O-N 3.38Å; L244-K247 WeakPolarHBondContact O-CA 3.47Å; L244-K247 PolarHBondContact O-N 3.48Å; L244-V248 HydrophobicContact CB-CG2 3.97Å; L244-V248 HydrophobicContact CD2-CG2 4.24Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.93Å
245	Y	98.4	Very high	98.6	Very high	11 Å²	11	35 Å²	35	4%	0.043	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-56.1	-173.4	-164.5	-103.3	0	0	0	112.7	E72 L236 L239 K240 K247 R372	E72-Y245 WeakPolarHBondContact OE2-CE1 3.44Å; E72-Y245 PolarHBondContact OE2-OH 2.9Å; L236-Y245 HydrophobicContact CB-CE2 4Å; L236-Y245 HydrophobicContact CD2-CE2 3.77Å; L236-Y245 HydrophobicContact CG-CE2 4.33Å; L239-Y245 HydrophobicContact CB-CD2 4.07Å; L239-Y245 PolarHBondContact O-N 3.2Å; K240-Y245 HydrophobicContact CD-CD2 4.35Å; K240-Y245 HydrophobicContact CD-CE2 4.5Å; K240-Y245 HydrophobicContact CG-CD1 4.26Å; K240-Y245 HydrophobicContact CG-CD2 3.71Å; K240-Y245 HydrophobicContact CG-CE2 4.33Å; K240-Y245 HydrophobicContact CG-CG 3.67Å; Y245-K247 VanDerWaalsContact C-N 3.25Å; Y245-K247 PolarHBondContact O-N 3.09Å; Y245-R372 VanDerWaalsContact O-CZ 3.23Å; Y245-R372 PolarHBondContact O-NH1 3.04Å; Y245-R372 PolarHBondContact O-NH2 3.38Å
246	E	97.4	Very high	98.6	Very high	137 Å²	137	35 Å²	35	64%	0.64	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.8	179.3	-52.1	-53.7	166.4	0	0	115.2	L244 R372	L244-E246 PolarHBondContact O-N 3.38Å; E246-R372 IonicContact OE2-NH2 3.81Å; E246-R372 PolarHBondContact OE2-NH2 3.47Å
247	K	96.9	Very high	98.6	Very high	136 Å²	136	35 Å²	35	59%	0.591	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-26.1	-176	-59.2	-179.5	-175.7	172.4	0	113.2	G243 L244 Y245	G243-K247 WeakPolarHBondContact O-CD 3.44Å; G243-K247 WeakPolarHBondContact O-CE 3.38Å; L244-K247 WeakPolarHBondContact O-CA 3.47Å; L244-K247 PolarHBondContact O-N 3.48Å; Y245-K247 VanDerWaalsContact C-N 3.25Å; Y245-K247 PolarHBondContact O-N 3.09Å
248	V	98.4	Very high	98.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.3	-178.1	176.9	0	0	0	0	109.2	K44 L46 F189 L239 L244 L250 R372	K44-V248 HydrophobicContact CB-CB 4.5Å; K44-V248 HydrophobicContact CB-CG2 3.93Å; K44-V248 HydrophobicContact CD-CG2 4.38Å; L46-V248 HydrophobicContact CB-CG1 3.73Å; F189-V248 HydrophobicContact CD1-CG2 4.48Å; L239-V248 HydrophobicContact CD2-CB 4.49Å; L239-V248 HydrophobicContact CD2-CG2 4.35Å; L244-V248 HydrophobicContact CB-CG2 3.97Å; L244-V248 HydrophobicContact CD2-CG2 4.24Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.93Å; V248-L250 PolarHBondContact O-N 3.09Å; V248-R372 PolarHBondContact O-NH1 3.36Å; V248-R372 VanDerWaalsContact O-NH1 3.08Å
249	N	98.9	Very high	98.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	120	161.1	-60.3	-75.6	0	0	0	107.4	K44 L45 L46 R372 P374 A375 F376 I397	K44-N249 WeakPolarHBondContact O-CB 3.35Å; K44-N249 PolarHBondContact O-N 3.42Å; K44-N249 PolarHBondContact O-ND2 2.93Å; L45-N249 CarbonylContact C-O 3.58Å; L45-N249 VanDerWaalsContact CA-O 3.31Å; L45-N249 WeakPolarHBondContact CA-O 3.33Å; L45-N249 HydrophobicContact CD1-CB 3.88Å; L46-N249 PolarHBondContact N-O 3.4Å; N249-R372 CarbonylContact C-O 3.27Å; N249-R372 WeakPolarHBondContact CA-O 3.44Å; N249-P374 VanDerWaalsContact OD1-CD 3.29Å; N249-P374 WeakPolarHBondContact OD1-CD 3.44Å; N249-A375 VanDerWaalsContact OD1-CB 3.23Å; N249-A375 WeakPolarHBondContact OD1-CB 3.35Å; N249-A375 PolarHBondContact OD1-N 2.95Å; N249-F376 HydrophobicContact CB-CD2 4.43Å; N249-F376 HydrophobicContact CB-CE2 4.05Å; N249-I397 HydrophobicContact CB-CG2 4.04Å; N249-I397 WeakPolarHBondContact ND2-CG2 3.36Å
250	L	98.9	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.5	-179.7	173.5	63.8	0	0	0	108.6	L46 V48 I69 L235 L236 L239 V248 V252 A371 R372	L46-L250 HydrophobicContact CB-CD1 4.26Å; L46-L250 HydrophobicContact CD2-CD1 4.01Å; L46-L250 HydrophobicContact CG-CD1 3.96Å; L46-L250 WeakPolarHBondContact O-CA 3.26Å; V48-L250 HydrophobicContact CG2-CD1 3.67Å; I69-L250 HydrophobicContact CD1-CD2 4.06Å; L235-L250 HydrophobicContact CD2-CD1 4.26Å; L236-L250 HydrophobicContact CD2-CD2 3.48Å; L236-L250 VanDerWaalsContact CD2-CD2 3.48Å; L239-L250 HydrophobicContact CD1-CD2 4.38Å; V248-L250 PolarHBondContact O-N 3.09Å; L250-V252 HydrophobicContact CD1-CG2 4.05Å; L250-V252 HydrophobicContact CD2-CG2 4.11Å; L250-V252 HydrophobicContact CG-CG2 3.91Å; L250-A371 CarbonylContact O-C 3.47Å; L250-A371 WeakPolarHBondContact O-CA 3.4Å; L250-A371 VanDerWaalsContact O-CB 3.3Å; L250-A371 WeakPolarHBondContact O-CB 3.33Å; L250-R372 HydrophobicContact CB-CG 4.29Å; L250-R372 PolarHBondContact N-O 2.77Å; L250-R372 PolarHBondContact O-N 3.27Å
251	V	98.9	Very high	98.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	167.3	179.3	0	0	0	0	107.6	L45 L46 L47 V48 F369 A371 F376 L390	L45-V251 HydrophobicContact CD1-CG2 4.06Å; L46-V251 PolarHBondContact O-N 2.69Å; L47-V251 HydrophobicContact CD1-CB 3.82Å; L47-V251 HydrophobicContact CD1-CG1 3.59Å; V48-V251 PolarHBondContact N-O 3.13Å; V251-F369 HydrophobicContact CG1-CD2 4.19Å; V251-F369 HydrophobicContact CG1-CE2 3.48Å; V251-F369 VanDerWaalsContact CG1-CE2 3.48Å; V251-F369 HydrophobicContact CG1-CZ 3.79Å; V251-A371 HydrophobicContact CB-CB 4.33Å; V251-A371 HydrophobicContact CG2-CB 3.91Å; V251-F376 HydrophobicContact CG2-CE2 4.08Å; V251-F376 HydrophobicContact CG2-CZ 3.73Å; V251-L390 HydrophobicContact CG1-CD1 4.39Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.1	173.3	-173.2	0	0	0	0	107.8	V48 F50 F66 I69 L232 L250 V370	V48-V252 HydrophobicContact CB-CG2 4.37Å; V48-V252 WeakPolarHBondContact O-CA 3.41Å; F50-V252 HydrophobicContact CD2-CG1 3.72Å; F50-V252 HydrophobicContact CE2-CG1 3.63Å; F66-V252 HydrophobicContact CE1-CG1 3.77Å; F66-V252 HydrophobicContact CZ-CG1 4.14Å; I69-V252 HydrophobicContact CD1-CG2 3.96Å; L232-V252 HydrophobicContact CD1-CG2 3.89Å; L232-V252 HydrophobicContact CD2-CG1 4.36Å; L250-V252 HydrophobicContact CD1-CG2 4.05Å; L250-V252 HydrophobicContact CD2-CG2 4.11Å; L250-V252 HydrophobicContact CG-CG2 3.91Å; V252-V370 HydrophobicContact CB-CG2 3.91Å; V252-V370 PolarHBondContact N-O 3.34Å; V252-V370 PolarHBondContact O-N 3.19Å
253	T	98.9	Very high	98	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	177.5	-175	-166.9	0	0	0	0	109.9	L47 V48 S49 F50 M94 V368	L47-T253 HydrophobicContact CD1-CG2 3.84Å; V48-T253 PolarHBondContact O-N 3.19Å; S49-T253 WeakPolarHBondContact CA-O 3.35Å; F50-T253 PolarHBondContact N-O 3.17Å; F50-T253 VanDerWaalsContact N-O 3.09Å; M94-T253 HydrophobicContact CE-CG2 4.41Å; M94-T253 HydrophobicContact SD-CG2 3.6Å; T253-V368 WeakPolarHBondContact CA-O 3.4Å; T253-V368 PolarHBondContact OG1-O 3.33Å; T253-V368 VanDerWaalsContact OG1-O 3.05Å
254	S	98.8	Very high	97.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	14%	0.137	C	C	.	.			trans	-122	-175.6	147.5	68.9	0	0	0	0	110	F50 F53 H256 P367 V368	F50-S254 WeakPolarHBondContact O-CB 3.38Å; F53-S254 PolarHBondContact O-OG 3.18Å; S254-H256 PolarHBondContact OG-O 3.41Å; S254-P367 VanDerWaalsContact C-CB 3.45Å; S254-P367 VanDerWaalsContact O-CB 3.25Å; S254-P367 WeakPolarHBondContact O-CB 3.45Å; S254-P367 WeakPolarHBondContact OG-CA 3.33Å; S254-P367 WeakPolarHBondContact OG-CB 3.06Å; S254-V368 PolarHBondContact N-O 2.76Å
255	D	98.6	Very high	97.8	Very high	2 Å²	2	31 Å²	31	1%	0.011	15%	0.151	C	C	.	.	S	Bend	trans	-95.6	-38.6	176.5	58	-21.7	0	0	0	112.6	G52 N81 T87 N90 H91 M94	G52-D255 PolarHBondContact N-OD1 3.2Å; N81-D255 WeakPolarHBondContact CB-O 3.45Å; N81-D255 PolarHBondContact ND2-O 3.14Å; T87-D255 VanDerWaalsContact CA-OD2 3.25Å; T87-D255 WeakPolarHBondContact CA-OD2 3.46Å; N90-D255 HydrophobicContact CB-CB 3.73Å; H91-D255 IonicContact CE1-OD1 2.71Å; H91-D255 IonicContact CE1-OD2 2.74Å; H91-D255 PolarHBondContact CE1-OD2 3.45Å; H91-D255 IonicContact ND1-OD2 3.12Å; H91-D255 PolarHBondContact ND1-OD2 3.1Å; M94-D255 HydrophobicContact CE-CB 3.77Å
256	H	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.			trans	-146.7	178	171.9	49.7	72.6	0	0	0	112.7	D51 G52 N81 T85 T87 D208 S254 H356 M365	D51-H256 IonicContact OD1-CE1 2.71Å; D51-H256 PolarHBondContact OD1-CE1 2.92Å; D51-H256 VanDerWaalsContact OD1-CE1 3.22Å; D51-H256 IonicContact OD1-NE2 3.74Å; G52-H256 CarbonylContact C-O 3.52Å; G52-H256 VanDerWaalsContact C-O 3.27Å; G52-H256 VanDerWaalsContact CA-O 3.28Å; G52-H256 WeakPolarHBondContact CA-O 3.24Å; N81-H256 WeakPolarHBondContact ND2-CA 3.24Å; T85-H256 PolarHBondContact O-CD2 3.04Å; T87-H256 PolarHBondContact N-NE2 2.87Å; T87-H256 PolarHBondContact OG1-NE2 3.4Å; D208-H256 IonicContact OD2-CE1 3.78Å; D208-H256 PolarHBondContact OD2-CE1 2.82Å; S254-H256 PolarHBondContact OG-O 3.41Å; H256-H356 AromaticContact CD2-CE1 3.94Å; H256-H356 AromaticContact CD2-ND1 3.42Å; H256-H356 PolarHBondContact CD2-ND1 3.02Å; H256-H356 AromaticContact CE1-CD2 3.93Å; H256-H356 AromaticContact CE1-CE1 3.27Å; H256-H356 PolarHBondContact CE1-CE1 2.89Å; H256-H356 AromaticContact CE1-CG 3.47Å; H256-H356 VanDerWaalsContact CE1-CG 3.47Å; H256-H356 AromaticContact CE1-ND1 3.04Å; H256-H356 PolarHBondContact CE1-ND1 3.42Å; H256-H356 AromaticContact CE1-NE2 3.92Å; H256-H356 AromaticContact CG-ND1 3.61Å; H256-H356 AromaticContact ND1-CG 3.55Å; H256-H356 AromaticContact ND1-ND1 3.36Å; H256-H356 PolarHBondContact ND1-ND1 2.96Å; H256-H356 AromaticContact NE2-CE1 3.1Å; H256-H356 PolarHBondContact NE2-CE1 3.42Å; H256-H356 AromaticContact NE2-CG 3.9Å; H256-H356 AromaticContact NE2-ND1 3Å; H256-H356 PolarHBondContact NE2-ND1 2.98Å; H256-M365 WeakPolarHBondContact CA-O 2.92Å
257	G	98.5	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.			trans	-97.7	-149.8	164.1	0	0	0	0	0	112.2	H356 D364 M365	G257-H356 WeakPolarHBondContact O-CB 3.21Å; G257-D364 CarbonylContact C-O 3.5Å; G257-D364 VanDerWaalsContact CA-O 3.31Å; G257-D364 WeakPolarHBondContact CA-O 3.36Å; G257-M365 VanDerWaalsContact N-C 3.31Å; G257-M365 PolarHBondContact N-O 3.23Å
258	M	98.8	Very high	97.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.102	C	C	.	.			trans	-156.6	134.4	-172.2	-177.4	61.6	69.1	0	0	110.5	R54 D208 P216 G354 N355 D364	R54-M258 WeakPolarHBondContact CD-O 3.18Å; R54-M258 PolarHBondContact NH1-O 3.4Å; D208-M258 WeakPolarHBondContact OD2-CE 3.33Å; P216-M258 HydrophobicContact CB-CB 4.14Å; P216-M258 HydrophobicContact CB-CG 3.81Å; P216-M258 HydrophobicContact CG-CB 4.46Å; P216-M258 HydrophobicContact CG-CG 3.85Å; M258-G354 VanDerWaalsContact SD-C 3.51Å; M258-N355 VanDerWaalsContact SD-CA 3.55Å; M258-N355 PolarHBondContact SD-N 3.35Å; M258-D364 PolarHBondContact N-O 3.16Å
259	A	98.5	Very high	97.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149	177.8	0	0	0	0	0	112.3	P216 E339 G354 N355 Y358 D364 M365	P216-A259 VanDerWaalsContact CG-C 3.44Å; A259-E339 HydrophobicContact CB-CG 4.16Å; A259-G354 WeakPolarHBondContact O-CA 3.22Å; A259-N355 PolarHBondContact N-O 3.25Å; A259-N355 PolarHBondContact O-N 3.17Å; A259-Y358 HydrophobicContact CB-CD2 4.31Å; A259-Y358 HydrophobicContact CB-CE2 3.83Å; A259-D364 HydrophobicContact CB-CB 4.16Å; A259-M365 HydrophobicContact CB-CE 3.62Å
260	Q	98.3	Very high	97.4	Very high	47 Å²	47	22.8 Å²	22.8	22%	0.22	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.8	-177.3	-176.5	64.2	53.2	0	0	111.7	P216 Q217 G340 F353	P216-Q260 HydrophobicContact CG-CB 4.01Å; Q217-Q260 HydrophobicContact CB-CG 4.46Å; Q217-Q260 HydrophobicContact CG-CB 4.07Å; Q217-Q260 HydrophobicContact CG-CG 4.25Å; Q217-Q260 VanDerWaalsContact N-OE1 3.13Å; Q260-G340 VanDerWaalsContact O-CA 3.23Å; Q260-G340 WeakPolarHBondContact O-CA 3.49Å; Q260-F353 PolarHBondContact NE2-O 2.89Å
261	L	97.7	Very high	97.3	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.031	15%	0.145	C	C	.	.			trans	-91.5	158.8	171	-67.2	-173.2	0	0	0	111.9	T342 F351 M352 F353 N355 Y358	L261-T342 HydrophobicContact CD1-CG2 4.48Å; L261-F351 HydrophobicContact CB-CE1 4.31Å; L261-F351 HydrophobicContact CB-CZ 3.75Å; L261-M352 WeakPolarHBondContact CB-O 3.35Å; L261-M352 HydrophobicContact CD1-CB 4.39Å; L261-M352 VanDerWaalsContact CD1-O 3.28Å; L261-M352 WeakPolarHBondContact CD1-O 3.2Å; L261-F353 PolarHBondContact N-O 3.19Å; L261-N355 HydrophobicContact CD1-CB 3.65Å; L261-N355 HydrophobicContact CD2-CB 4.33Å; L261-N355 HydrophobicContact CG-CB 4Å; L261-Y358 WeakPolarHBondContact CD2-OH 3.24Å
262	S	95.1	Very high	97.2	Very high	30 Å²	30	31.8 Å²	31.8	21%	0.21	16%	0.156	C	C	.	.			trans	-138.2	144.3	166.9	108.4	0	0	0	0	111.5	E264 K265 F351	S262-E264 VanDerWaalsContact CB-OE2 3.25Å; S262-E264 WeakPolarHBondContact CB-OE2 3.49Å; S262-E264 PolarHBondContact O-N 3.08Å; S262-E264 PolarHBondContact OG-OE2 2.89Å; S262-K265 PolarHBondContact O-N 2.86Å; S262-F351 WeakPolarHBondContact O-CZ 3.38Å
263	P	92.8	Very high	97.1	Very high	59 Å²	59	32 Å²	32	38%	0.383	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.8	-175.4	27.9	-35	0	0	0	113.8	K265 I266 R347 F351	P263-K265 VanDerWaalsContact C-N 3.35Å; P263-I266 WeakPolarHBondContact O-CD1 3.5Å; P263-I266 WeakPolarHBondContact O-CG1 3.29Å; P263-R347 PolarHBondContact O-NH1 3.4Å; P263-F351 HydrophobicContact CB-CE1 4.29Å; P263-F351 HydrophobicContact CB-CE2 4.34Å; P263-F351 HydrophobicContact CB-CZ 4.22Å; P263-F351 VanDerWaalsContact N-CZ 3.33Å
264	E	94.6	Very high	97	Very high	136 Å²	136	36.5 Å²	36.5	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.7	169.2	-55.6	73.3	-157.4	0	0	112	S262 I266	S262-E264 VanDerWaalsContact CB-OE2 3.25Å; S262-E264 WeakPolarHBondContact CB-OE2 3.49Å; S262-E264 PolarHBondContact O-N 3.08Å; S262-E264 PolarHBondContact OG-OE2 2.89Å; E264-I266 PolarHBondContact O-N 2.79Å
265	K	96.9	Very high	96.8	Very high	79 Å²	79	40.8 Å²	40.8	34%	0.343	20%	0.198	S	C	.	.	S	Bend	trans	-98.4	49.5	-176	-66.1	-177.1	177.1	-178	0	113.2	S262 P263 G340 W341 T342	S262-K265 PolarHBondContact O-N 2.86Å; P263-K265 VanDerWaalsContact C-N 3.35Å; K265-G340 WeakPolarHBondContact CB-O 3.46Å; K265-G340 WeakPolarHBondContact CD-O 3.41Å; K265-W341 VanDerWaalsContact CA-CE3 3.45Å; K265-W341 HydrophobicContact CB-CB 4.46Å; K265-W341 HydrophobicContact CB-CD2 3.64Å; K265-W341 HydrophobicContact CB-CE3 3.78Å; K265-W341 HydrophobicContact CB-CG 3.96Å; K265-W341 HydrophobicContact CB-CZ2 4.43Å; K265-W341 HydrophobicContact CB-CZ3 4.25Å; K265-W341 HydrophobicContact CD-CD2 4.45Å; K265-W341 HydrophobicContact CD-CG 4.38Å; K265-W341 HydrophobicContact CG-CD2 4.03Å; K265-W341 HydrophobicContact CG-CE3 4.44Å; K265-W341 HydrophobicContact CG-CG 4.43Å; K265-W341 HydrophobicContact CG-CH2 4.46Å; K265-W341 HydrophobicContact CG-CZ2 4.06Å; K265-W341 WeakPolarHBondContact O-CA 3.39Å; K265-T342 PolarHBondContact O-N 2.79Å
266	I	97.1	Very high	96.7	Very high	18 Å²	18	46.9 Å²	46.9	9%	0.092	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.8	177.5	-55.1	-178.9	0	0	0	109.8	P263 E264 E268 T342 M344 R347 F351	P263-I266 WeakPolarHBondContact O-CD1 3.5Å; P263-I266 WeakPolarHBondContact O-CG1 3.29Å; E264-I266 PolarHBondContact O-N 2.79Å; I266-E268 HydrophobicContact CG2-CG 4.05Å; I266-T342 HydrophobicContact CB-CG2 4.33Å; I266-T342 HydrophobicContact CG1-CG2 3.8Å; I266-T342 HydrophobicContact CG2-CG2 4.41Å; I266-M344 HydrophobicContact CD1-SD 4.02Å; I266-M344 HydrophobicContact CG2-CB 4.16Å; I266-M344 HydrophobicContact CG2-CG 4.02Å; I266-M344 HydrophobicContact CG2-SD 3.81Å; I266-R347 HydrophobicContact CD1-CG 4.31Å; I266-R347 HydrophobicContact CG2-CG 4.42Å; I266-F351 HydrophobicContact CD1-CD2 3.74Å; I266-F351 HydrophobicContact CD1-CE2 3.85Å; I266-F351 HydrophobicContact CG1-CD2 4.33Å; I266-F351 HydrophobicContact CG1-CE2 3.96Å
267	I	97.3	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.7	171.8	-51.3	-175.1	0	0	0	107.2	Y272 N307 N309 M310 W341 T342 M344	I267-Y272 HydrophobicContact CG2-CE2 3.92Å; I267-N307 HydrophobicContact CD1-CB 4.41Å; I267-N307 HydrophobicContact CG2-CB 4.02Å; I267-N309 HydrophobicContact CD1-CB 4.09Å; I267-M310 HydrophobicContact CD1-CB 3.78Å; I267-M310 HydrophobicContact CG2-SD 4.23Å; I267-W341 HydrophobicContact CD1-CB 4.48Å; I267-W341 HydrophobicContact CD1-CE3 4.16Å; I267-W341 HydrophobicContact CG1-CE3 3.68Å; I267-W341 HydrophobicContact CG1-CZ3 4.27Å; I267-T342 PolarHBondContact N-O 3.06Å; I267-M344 PolarHBondContact O-N 3.24Å; I267-M344 VanDerWaalsContact O-O 3.05Å
268	E	96.3	Very high	96.6	Very high	33 Å²	33	48.3 Å²	48.3	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	105.6	-175.8	-67.7	178.1	-99.6	0	0	110.4	I266 D270 Q271 Y272 M344 R347	I266-E268 HydrophobicContact CG2-CG 4.05Å; E268-D270 VanDerWaalsContact C-N 3.27Å; E268-D270 PolarHBondContact O-N 3.42Å; E268-Q271 HydrophobicContact CB-CG 3.98Å; E268-Q271 VanDerWaalsContact CD-NE2 3.28Å; E268-Q271 WeakPolarHBondContact O-CB 3.28Å; E268-Q271 PolarHBondContact O-N 3.2Å; E268-Q271 VanDerWaalsContact O-N 3.09Å; E268-Q271 PolarHBondContact OE1-NE2 3.1Å; E268-Y272 WeakPolarHBondContact O-CD2 3.48Å; E268-Y272 WeakPolarHBondContact O-CE2 3.3Å; E268-M344 CarbonylContact C-O 3.58Å; E268-M344 WeakPolarHBondContact CA-O 3.4Å; E268-R347 HydrophobicContact CG-CG 4.08Å; E268-R347 WeakPolarHBondContact OE1-CD 3.5Å; E268-R347 IonicContact OE1-CZ 2.8Å; E268-R347 IonicContact OE1-NE 3.66Å; E268-R347 PolarHBondContact OE1-NE 2.88Å; E268-R347 IonicContact OE1-NH2 3.43Å; E268-R347 WeakPolarHBondContact OE2-CG 3.42Å; E268-R347 PolarHBondContact OE2-N 2.8Å; E268-R347 IonicContact OE2-NE 3.15Å
269	L	95.7	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.5	-30.9	-170.1	-160.6	60.3	0	0	0	113	Q271 Y272 V273 Y278 W280 I289 L303 L335 M344 Q345	L269-Q271 PolarHBondContact O-N 3.4Å; L269-Q271 VanDerWaalsContact O-N 3.14Å; L269-Y272 PolarHBondContact O-N 3.06Å; L269-V273 HydrophobicContact CD1-CG1 4.11Å; L269-V273 HydrophobicContact CD2-CG1 4.45Å; L269-V273 HydrophobicContact CG-CG1 3.8Å; L269-V273 PolarHBondContact O-N 3.23Å; L269-V273 VanDerWaalsContact O-N 3.11Å; L269-Y278 HydrophobicContact CD2-CE2 4.06Å; L269-Y278 WeakPolarHBondContact CD2-OH 3.17Å; L269-W280 HydrophobicContact CB-CZ3 4.27Å; L269-W280 HydrophobicContact CD2-CE3 3.81Å; L269-W280 HydrophobicContact CD2-CZ3 3.56Å; L269-I289 HydrophobicContact CD2-CD1 3.86Å; L269-L303 HydrophobicContact CD1-CD2 3.41Å; L269-L303 VanDerWaalsContact CD1-CD2 3.41Å; L269-L303 HydrophobicContact CG-CD2 4.49Å; L269-L335 HydrophobicContact CD1-CD1 3.74Å; L269-L335 HydrophobicContact CD2-CD1 4.04Å; L269-M344 PolarHBondContact N-O 3.03Å; L269-Q345 PolarHBondContact N-O 3.23Å
270	D	95.7	Very high	96.4	Very high	62 Å²	62	54 Å²	54	33%	0.332	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.9	-18.3	175.4	-68.1	-3.7	0	0	0	113.7	E268 Y272 R275 Q345	E268-D270 VanDerWaalsContact C-N 3.27Å; E268-D270 PolarHBondContact O-N 3.42Å; D270-Y272 VanDerWaalsContact C-N 3.25Å; D270-R275 VanDerWaalsContact CG-NE 3.31Å; D270-R275 WeakPolarHBondContact OD1-CG 3.43Å; D270-R275 IonicContact OD1-CZ 3.78Å; D270-R275 IonicContact OD1-NE 3.87Å; D270-R275 PolarHBondContact OD1-NE 2.65Å; D270-R275 IonicContact OD1-NH2 2.73Å; D270-R275 PolarHBondContact OD1-NH2 2.92Å; D270-R275 IonicContact OD2-CZ 3.31Å; D270-R275 VanDerWaalsContact OD2-CZ 3.28Å; D270-R275 IonicContact OD2-NE 3Å; D270-R275 PolarHBondContact OD2-NE 2.91Å; D270-R275 VanDerWaalsContact OD2-NE 3.11Å; D270-R275 IonicContact OD2-NH2 3.23Å; D270-R275 PolarHBondContact OD2-NH2 2.8Å; D270-Q345 VanDerWaalsContact CB-O 3.32Å; D270-Q345 WeakPolarHBondContact CB-O 3.5Å; D270-Q345 PolarHBondContact N-O 2.92Å
271	Q	96.8	Very high	96.3	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.584	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-78.2	-11.8	176.2	-60.7	-177.9	11.8	0	0	112.7	E268 L269	E268-Q271 HydrophobicContact CB-CG 3.98Å; E268-Q271 VanDerWaalsContact CD-NE2 3.28Å; E268-Q271 WeakPolarHBondContact O-CB 3.28Å; E268-Q271 PolarHBondContact O-N 3.2Å; E268-Q271 VanDerWaalsContact O-N 3.09Å; E268-Q271 PolarHBondContact OE1-NE2 3.1Å; L269-Q271 PolarHBondContact O-N 3.4Å; L269-Q271 VanDerWaalsContact O-N 3.14Å
272	Y	97.1	Very high	96	Very high	64 Å²	64	52.9 Å²	52.9	25%	0.251	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-34.9	-171	-52.9	-65.2	0	0	0	113.5	I267 E268 L269 D270 A306 N307	I267-Y272 HydrophobicContact CG2-CE2 3.92Å; E268-Y272 WeakPolarHBondContact O-CD2 3.48Å; E268-Y272 WeakPolarHBondContact O-CE2 3.3Å; L269-Y272 PolarHBondContact O-N 3.06Å; D270-Y272 VanDerWaalsContact C-N 3.25Å; Y272-A306 HydrophobicContact CD1-CB 3.7Å; Y272-A306 HydrophobicContact CD2-CB 4.21Å; Y272-A306 HydrophobicContact CE1-CB 4.13Å; Y272-A306 WeakPolarHBondContact CE1-O 3.33Å; Y272-A306 HydrophobicContact CG-CB 3.72Å; Y272-N307 HydrophobicContact CE2-CB 4.43Å; Y272-N307 PolarHBondContact OH-ND2 3.41Å
273	V	97	Very high	95.7	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.03	27%	0.268	C	S	.	.	S	Bend	trans	-143.9	138.8	-176.6	61.5	0	0	0	0	111.4	L269 L277 Y278 V299 M302 L303	L269-V273 HydrophobicContact CD1-CG1 4.11Å; L269-V273 HydrophobicContact CD2-CG1 4.45Å; L269-V273 HydrophobicContact CG-CG1 3.8Å; L269-V273 PolarHBondContact O-N 3.23Å; L269-V273 VanDerWaalsContact O-N 3.11Å; V273-L277 HydrophobicContact CG2-CB 4.42Å; V273-L277 HydrophobicContact CG2-CD1 4.2Å; V273-Y278 HydrophobicContact CG1-CD1 4.24Å; V273-Y278 HydrophobicContact CG1-CE1 3.73Å; V273-Y278 HydrophobicContact CG2-CD1 4.12Å; V273-Y278 HydrophobicContact CG2-CE1 4.29Å; V273-V299 HydrophobicContact CG2-CG1 4.28Å; V273-V299 HydrophobicContact CG2-CG2 4.24Å; V273-M302 HydrophobicContact CB-CB 4.39Å; V273-M302 HydrophobicContact CB-SD 4.27Å; V273-M302 HydrophobicContact CG2-SD 3.92Å; V273-L303 HydrophobicContact CB-CD2 4.24Å; V273-L303 HydrophobicContact CB-CG 4.49Å; V273-L303 HydrophobicContact CG1-CD1 4.26Å; V273-L303 HydrophobicContact CG1-CD2 3.75Å; V273-L303 HydrophobicContact CG1-CG 4.26Å
274	D	96.4	Very high	95.7	Very high	97 Å²	97	52.9 Å²	52.9	52%	0.519	25%	0.254	S	S	.	.			trans	-68.7	133.8	175.8	-167.3	-33.3	0	0	0	110.9	D276 L277 Y278	D274-D276 PolarHBondContact O-N 3.32Å; D274-D276 PolarHBondContact OD1-N 3.07Å; D274-L277 HydrophobicContact CB-CD1 4.08Å; D274-L277 HydrophobicContact CB-CG 4.14Å; D274-L277 WeakPolarHBondContact O-CB 3.09Å; D274-L277 PolarHBondContact O-N 3.29Å; D274-L277 VanDerWaalsContact O-N 3.12Å; D274-Y278 WeakPolarHBondContact O-CD1 3.29Å; D274-Y278 WeakPolarHBondContact O-CE1 3.3Å
275	R	95	Very high	95.8	Very high	91 Å²	91	46.4 Å²	46.4	34%	0.343	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-58.2	-30.9	178.2	-64.7	-173	-177.9	-161.4	4.6	112.8	D270 L277 Y278 N346	D270-R275 VanDerWaalsContact CG-NE 3.31Å; D270-R275 WeakPolarHBondContact OD1-CG 3.43Å; D270-R275 IonicContact OD1-CZ 3.78Å; D270-R275 IonicContact OD1-NE 3.87Å; D270-R275 PolarHBondContact OD1-NE 2.65Å; D270-R275 IonicContact OD1-NH2 2.73Å; D270-R275 PolarHBondContact OD1-NH2 2.92Å; D270-R275 IonicContact OD2-CZ 3.31Å; D270-R275 VanDerWaalsContact OD2-CZ 3.28Å; D270-R275 IonicContact OD2-NE 3Å; D270-R275 PolarHBondContact OD2-NE 2.91Å; D270-R275 VanDerWaalsContact OD2-NE 3.11Å; D270-R275 IonicContact OD2-NH2 3.23Å; D270-R275 PolarHBondContact OD2-NH2 2.8Å; R275-L277 PolarHBondContact O-N 3.06Å; R275-Y278 PolarHBondContact O-N 3.21Å; R275-Y278 VanDerWaalsContact O-O 3.08Å; R275-N346 PolarHBondContact NH2-ND2 2.65Å
276	D	96.4	Very high	95.9	Very high	131 Å²	131	42.7 Å²	42.7	70%	0.701	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-67.5	-19.2	-179.4	-76.6	-8.5	0	0	0	112.6	D274 K292	D274-D276 PolarHBondContact O-N 3.32Å; D274-D276 PolarHBondContact OD1-N 3.07Å; D276-K292 WeakPolarHBondContact O-CE 3.43Å; D276-K292 VanDerWaalsContact O-CG 3.27Å; D276-K292 WeakPolarHBondContact O-CG 3.46Å
277	L	97.8	Very high	95.9	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.131	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-82.5	-9.8	-179.3	-60	176.1	0	0	0	114.4	V273 D274 R275 K292 K295 V299 M302	V273-L277 HydrophobicContact CG2-CB 4.42Å; V273-L277 HydrophobicContact CG2-CD1 4.2Å; D274-L277 HydrophobicContact CB-CD1 4.08Å; D274-L277 HydrophobicContact CB-CG 4.14Å; D274-L277 WeakPolarHBondContact O-CB 3.09Å; D274-L277 PolarHBondContact O-N 3.29Å; D274-L277 VanDerWaalsContact O-N 3.12Å; R275-L277 PolarHBondContact O-N 3.06Å; L277-K292 PolarHBondContact O-N 3.15Å; L277-K295 HydrophobicContact CD2-CD 3.89Å; L277-K295 HydrophobicContact CD2-CG 4.2Å; L277-V299 HydrophobicContact CB-CG2 3.69Å; L277-M302 HydrophobicContact CD1-CE 4.22Å; L277-M302 HydrophobicContact CD1-SD 4.08Å
278	Y	97.5	Very high	95.9	Very high	5 Å²	5	42 Å²	42	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	178	-177.1	71.1	-82	0	0	0	113.9	L269 V273 D274 R275 W280 I289 L290 K292	L269-Y278 HydrophobicContact CD2-CE2 4.06Å; L269-Y278 WeakPolarHBondContact CD2-OH 3.17Å; V273-Y278 HydrophobicContact CG1-CD1 4.24Å; V273-Y278 HydrophobicContact CG1-CE1 3.73Å; V273-Y278 HydrophobicContact CG2-CD1 4.12Å; V273-Y278 HydrophobicContact CG2-CE1 4.29Å; D274-Y278 WeakPolarHBondContact O-CD1 3.29Å; D274-Y278 WeakPolarHBondContact O-CE1 3.3Å; R275-Y278 PolarHBondContact O-N 3.21Å; R275-Y278 VanDerWaalsContact O-O 3.08Å; Y278-W280 HydrophobicContact CE2-CB 4.11Å; Y278-W280 HydrophobicContact CE2-CE3 4.3Å; Y278-I289 HydrophobicContact CD2-CD1 3.68Å; Y278-I289 HydrophobicContact CD2-CG2 3.93Å; Y278-I289 HydrophobicContact CE2-CD1 3.66Å; Y278-I289 HydrophobicContact CG-CG2 4.06Å; Y278-L290 CarbonylContact C-O 3.54Å; Y278-L290 VanDerWaalsContact CA-O 3.3Å; Y278-L290 WeakPolarHBondContact CA-O 3.38Å; Y278-K292 VanDerWaalsContact O-CE 3.26Å; Y278-K292 WeakPolarHBondContact O-CE 3.18Å; Y278-K292 PolarHBondContact O-NZ 3.23Å
279	T	96.8	Very high	96	Very high	60 Å²	60	40.4 Å²	40.4	37%	0.368	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.8	166.6	-59.8	0	0	0	0	106.9	V281 L290 K292	T279-V281 HydrophobicContact CG2-CG2 4.4Å; T279-L290 PolarHBondContact N-O 3.08Å; T279-L290 PolarHBondContact O-N 2.89Å; T279-K292 PolarHBondContact OG1-NZ 3.39Å
280	W	95.7	Very high	96.1	Very high	62 Å²	62	42.2 Å²	42.2	24%	0.235	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.5	171.7	-175.7	-65.7	0	0	0	108.4	L269 Y278 D282 V287 I289 I343 Q345	L269-W280 HydrophobicContact CB-CZ3 4.27Å; L269-W280 HydrophobicContact CD2-CE3 3.81Å; L269-W280 HydrophobicContact CD2-CZ3 3.56Å; Y278-W280 HydrophobicContact CE2-CB 4.11Å; Y278-W280 HydrophobicContact CE2-CE3 4.3Å; W280-D282 PolarHBondContact NE1-O 2.86Å; W280-V287 HydrophobicContact CD2-CG1 3.76Å; W280-V287 HydrophobicContact CE3-CG1 3.97Å; W280-V287 HydrophobicContact CG-CG1 4.39Å; W280-V287 HydrophobicContact CH2-CB 4.43Å; W280-V287 HydrophobicContact CH2-CG1 3.93Å; W280-V287 HydrophobicContact CH2-CG2 3.68Å; W280-V287 HydrophobicContact CZ2-CB 4.2Å; W280-V287 HydrophobicContact CZ2-CG1 3.67Å; W280-V287 HydrophobicContact CZ2-CG2 3.4Å; W280-V287 HydrophobicContact CZ3-CG1 4.07Å; W280-I289 HydrophobicContact CE3-CD1 4.33Å; W280-I343 HydrophobicContact CH2-CB 4.26Å; W280-I343 HydrophobicContact CH2-CG2 3.85Å; W280-I343 HydrophobicContact CZ3-CG2 4.23Å; W280-Q345 HydrophobicContact CD2-CG 4.11Å; W280-Q345 HydrophobicContact CE3-CG 3.4Å; W280-Q345 VanDerWaalsContact CE3-CG 3.4Å; W280-Q345 HydrophobicContact CH2-CG 4.45Å; W280-Q345 HydrophobicContact CZ3-CG 3.6Å
281	V	96.2	Very high	96.2	Very high	22 Å²	22	40 Å²	40	13%	0.133	20%	0.196	C	C	.	.			trans	-112.1	-59	-176.9	-180	0	0	0	0	111.9	E109 T279 G288 L290 M331	E109-V281 WeakPolarHBondContact CB-O 3.34Å; T279-V281 HydrophobicContact CG2-CG2 4.4Å; V281-G288 WeakPolarHBondContact CB-O 3.38Å; V281-G288 PolarHBondContact N-O 3.46Å; V281-L290 HydrophobicContact CG2-CB 4.2Å; V281-M331 HydrophobicContact CB-CG 4Å; V281-M331 HydrophobicContact CB-SD 4.35Å; V281-M331 HydrophobicContact CG1-CG 4.28Å; V281-M331 HydrophobicContact CG1-SD 4.45Å; V281-M331 HydrophobicContact CG2-CG 4.01Å; V281-M331 HydrophobicContact CG2-SD 3.8Å
282	D	91.8	Very high	96.3	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.032	19%	0.187	C	C	.	.	S	Bend	trans	-102.5	150.8	-177.2	-165	18.4	0	0	0	113.6	I84 A107 W280 V287	I84-D282 WeakPolarHBondContact CD1-OD2 3.39Å; A107-D282 HydrophobicContact CB-CB 4.27Å; A107-D282 VanDerWaalsContact CB-CG 3.46Å; A107-D282 WeakPolarHBondContact CB-OD2 3.47Å; W280-D282 PolarHBondContact NE1-O 2.86Å; D282-V287 WeakPolarHBondContact O-CG1 3.31Å
283	K	89.2	Confident	96.3	Very high	77 Å²	77	44.8 Å²	44.8	34%	0.335	22%	0.219	S	C	.	.			trans	-81.4	154.5	-175.5	-72.1	164.8	179.1	164.9	0	111.7	E109 E122 V286	E109-K283 HydrophobicContact CG-CD 3.69Å; E109-K283 HydrophobicContact CG-CG 3.95Å; E109-K283 WeakPolarHBondContact OE1-CE 3.38Å; E109-K283 IonicContact OE1-NZ 2.78Å; E109-K283 PolarHBondContact OE1-NZ 3.22Å; E122-K283 IonicContact OE1-NZ 3.69Å; E122-K283 PolarHBondContact OE1-NZ 3.17Å; E122-K283 IonicContact OE2-NZ 3.92Å; E122-K283 PolarHBondContact OE2-NZ 2.84Å; K283-V286 VanDerWaalsContact O-O 3.06Å
284	S	93.1	Very high	96.3	Very high	13 Å²	13	48.3 Å²	48.3	9%	0.091	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	145.1	173.9	-169.6	0	0	0	0	113	K86 T342 I343 N355	K86-S284 PolarHBondContact NZ-O 2.76Å; S284-T342 WeakPolarHBondContact OG-CA 3.46Å; S284-T342 PolarHBondContact OG-OG1 3.16Å; S284-I343 VanDerWaalsContact CB-O 3.27Å; S284-I343 WeakPolarHBondContact CB-O 3.4Å; S284-I343 PolarHBondContact OG-N 3.47Å; S284-I343 PolarHBondContact OG-O 3Å; S284-N355 VanDerWaalsContact C-ND2 3.3Å; S284-N355 PolarHBondContact O-ND2 3.26Å
285	P	96.8	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.6	-2.4	11.4	38.5	-35.4	0	0	0	114.9	A337 H356 Y358	P285-A337 HydrophobicContact CB-CB 4.25Å; P285-A337 PolarHBondContact O-N 3.15Å; P285-H356 WeakPolarHBondContact CD-O 3.44Å; P285-Y358 HydrophobicContact CB-CD1 3.65Å; P285-Y358 HydrophobicContact CB-CD2 4.44Å; P285-Y358 HydrophobicContact CB-CE1 3.31Å; P285-Y358 HydrophobicContact CB-CE2 4.15Å; P285-Y358 HydrophobicContact CB-CG 4.22Å; P285-Y358 HydrophobicContact CG-CD1 3.65Å; P285-Y358 HydrophobicContact CG-CD2 3.72Å; P285-Y358 HydrophobicContact CG-CE1 3.68Å; P285-Y358 HydrophobicContact CG-CE2 3.73Å; P285-Y358 HydrophobicContact CG-CG 3.68Å
286	V	97.8	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.5	175.4	-178.4	0	0	0	0	108.6	I84 K283 L334 L335 E336 G357	I84-V286 HydrophobicContact CG2-CB 3.89Å; I84-V286 HydrophobicContact CG2-CG1 3.62Å; I84-V286 HydrophobicContact CG2-CG2 4.19Å; K283-V286 VanDerWaalsContact O-O 3.06Å; V286-L334 HydrophobicContact CG1-CD1 3.66Å; V286-L334 HydrophobicContact CG1-CD2 3.85Å; V286-L334 HydrophobicContact CG1-CG 3.7Å; V286-L335 CarbonylContact C-O 3.45Å; V286-L335 VanDerWaalsContact CA-O 3.24Å; V286-L335 WeakPolarHBondContact CA-O 3.43Å; V286-E336 HydrophobicContact CG2-CB 4.28Å; V286-E336 HydrophobicContact CG2-CG 4.12Å; V286-G357 WeakPolarHBondContact CG2-O 3.4Å
287	V	97.4	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.6	-168.4	175.6	0	0	0	0	110.5	W280 D282 I289 L335 I343	W280-V287 HydrophobicContact CD2-CG1 3.76Å; W280-V287 HydrophobicContact CE3-CG1 3.97Å; W280-V287 HydrophobicContact CG-CG1 4.39Å; W280-V287 HydrophobicContact CH2-CB 4.43Å; W280-V287 HydrophobicContact CH2-CG1 3.93Å; W280-V287 HydrophobicContact CH2-CG2 3.68Å; W280-V287 HydrophobicContact CZ2-CB 4.2Å; W280-V287 HydrophobicContact CZ2-CG1 3.67Å; W280-V287 HydrophobicContact CZ2-CG2 3.4Å; W280-V287 HydrophobicContact CZ3-CG1 4.07Å; D282-V287 WeakPolarHBondContact O-CG1 3.31Å; V287-I289 HydrophobicContact CG1-CD1 3.59Å; V287-I289 HydrophobicContact CG1-CG1 4.03Å; V287-L335 HydrophobicContact CB-CB 4.27Å; V287-L335 PolarHBondContact N-O 2.84Å; V287-L335 PolarHBondContact O-N 3.49Å; V287-I343 HydrophobicContact CB-CD1 4.47Å; V287-I343 HydrophobicContact CG2-CB 4.02Å; V287-I343 HydrophobicContact CG2-CD1 4.06Å; V287-I343 HydrophobicContact CG2-CG1 4.48Å; V287-I343 HydrophobicContact CG2-CG2 4.36Å
288	G	97.8	Very high	96.7	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.7	167.7	0	0	0	0	0	111.2	V281	V281-G288 WeakPolarHBondContact CB-O 3.38Å; V281-G288 PolarHBondContact N-O 3.46Å
289	I	98.1	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.7	178.8	-62.7	-65.4	0	0	0	109.4	L269 Y278 W280 V287 P291 V299 M331 I333 L335	L269-I289 HydrophobicContact CD2-CD1 3.86Å; Y278-I289 HydrophobicContact CD2-CD1 3.68Å; Y278-I289 HydrophobicContact CD2-CG2 3.93Å; Y278-I289 HydrophobicContact CE2-CD1 3.66Å; Y278-I289 HydrophobicContact CG-CG2 4.06Å; W280-I289 HydrophobicContact CE3-CD1 4.33Å; V287-I289 HydrophobicContact CG1-CD1 3.59Å; V287-I289 HydrophobicContact CG1-CG1 4.03Å; I289-P291 WeakPolarHBondContact O-CD 3.07Å; I289-V299 HydrophobicContact CG2-CG1 4.08Å; I289-M331 WeakPolarHBondContact O-CB 3.21Å; I289-I333 HydrophobicContact CB-CB 4.04Å; I289-I333 HydrophobicContact CB-CG2 4.26Å; I289-I333 HydrophobicContact CG2-CB 4.35Å; I289-I333 PolarHBondContact N-O 2.88Å; I289-I333 PolarHBondContact O-N 3.26Å; I289-L335 HydrophobicContact CD1-CD1 4.18Å; I289-L335 HydrophobicContact CG1-CD1 3.72Å; I289-L335 HydrophobicContact CG1-CG 3.91Å
290	L	97.9	Very high	96.8	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.199	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	100.4	172.6	179.2	62.1	0	0	0	110.1	Y111 Y278 T279 V281 M331 P332	Y111-L290 HydrophobicContact CD1-CD2 3.65Å; Y111-L290 HydrophobicContact CE1-CD2 3.54Å; Y278-L290 CarbonylContact C-O 3.54Å; Y278-L290 VanDerWaalsContact CA-O 3.3Å; Y278-L290 WeakPolarHBondContact CA-O 3.38Å; T279-L290 PolarHBondContact N-O 3.08Å; T279-L290 PolarHBondContact O-N 2.89Å; V281-L290 HydrophobicContact CG2-CB 4.2Å; L290-M331 HydrophobicContact CB-SD 3.78Å; L290-M331 HydrophobicContact CD1-SD 4.24Å; L290-M331 HydrophobicContact CD2-SD 4.41Å; L290-M331 HydrophobicContact CG-SD 4.37Å; L290-P332 HydrophobicContact CD1-CG 3.98Å
291	P	98.2	Very high	96.9	Very high	15 Å²	15	46.4 Å²	46.4	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	152.1	174.2	-24.4	37.1	0	0	0	111.7	I289 K295 L296 V299 I333	I289-P291 WeakPolarHBondContact O-CD 3.07Å; P291-K295 HydrophobicContact CB-CB 4.22Å; P291-L296 HydrophobicContact CG-CD1 3.97Å; P291-V299 HydrophobicContact CB-CB 4.3Å; P291-V299 HydrophobicContact CB-CG2 4.17Å; P291-V299 HydrophobicContact CG-CB 4.17Å; P291-V299 HydrophobicContact CG-CG1 4.2Å; P291-I333 HydrophobicContact CG-CD1 3.72Å; P291-I333 HydrophobicContact CG-CG1 4.3Å
292	K	97.9	Very high	97	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-62.8	165.3	167.7	-55.2	-49.2	178.4	-166.6	0	110.5	D276 L277 Y278 T279 G294 K295	D276-K292 WeakPolarHBondContact O-CE 3.43Å; D276-K292 VanDerWaalsContact O-CG 3.27Å; D276-K292 WeakPolarHBondContact O-CG 3.46Å; L277-K292 PolarHBondContact O-N 3.15Å; Y278-K292 VanDerWaalsContact O-CE 3.26Å; Y278-K292 WeakPolarHBondContact O-CE 3.18Å; Y278-K292 PolarHBondContact O-NZ 3.23Å; T279-K292 PolarHBondContact OG1-NZ 3.39Å; K292-G294 PolarHBondContact O-N 3.24Å; K292-K295 HydrophobicContact CB-CB 4.39Å; K292-K295 HydrophobicContact CB-CG 4.08Å; K292-K295 WeakPolarHBondContact O-CB 3.5Å; K292-K295 PolarHBondContact O-N 3.45Å
293	E	96.7	Very high	97.3	Very high	199 Å²	199	48.9 Å²	48.9	93%	0.93	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	130.1	177.8	-170.1	175.4	-178.4	0	0	111.5	K295	E293-K295 PolarHBondContact O-N 2.64Å
294	G	97.8	Very high	97.7	Very high	79 Å²	79	46.6 Å²	46.6	81%	0.814	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-3.2	-176.2	0	0	0	0	0	116.2	K292	K292-G294 PolarHBondContact O-N 3.24Å
295	K	98.4	Very high	97.7	Very high	63 Å²	63	53.5 Å²	53.5	27%	0.274	30%	0.3	S	S	.	.			trans	-96	0.7	-175.4	-64.7	-60.3	-165.6	162.2	0	115.6	L277 P291 K292 E293 D297 E298 V299	L277-K295 HydrophobicContact CD2-CD 3.89Å; L277-K295 HydrophobicContact CD2-CG 4.2Å; P291-K295 HydrophobicContact CB-CB 4.22Å; K292-K295 HydrophobicContact CB-CB 4.39Å; K292-K295 HydrophobicContact CB-CG 4.08Å; K292-K295 WeakPolarHBondContact O-CB 3.5Å; K292-K295 PolarHBondContact O-N 3.45Å; E293-K295 PolarHBondContact O-N 2.64Å; K295-D297 PolarHBondContact O-N 2.91Å; K295-E298 VanDerWaalsContact CD-OE2 3.24Å; K295-E298 WeakPolarHBondContact CD-OE2 3.41Å; K295-E298 IonicContact NZ-OE1 3.68Å; K295-E298 PolarHBondContact NZ-OE1 2.76Å; K295-E298 IonicContact NZ-OE2 3.11Å; K295-E298 PolarHBondContact NZ-OE2 2.65Å; K295-E298 PolarHBondContact O-N 3.26Å; K295-V299 HydrophobicContact CB-CG2 4.22Å; K295-V299 WeakPolarHBondContact O-CB 3.28Å; K295-V299 WeakPolarHBondContact O-CG2 3.43Å; K295-V299 PolarHBondContact O-N 3.01Å
296	L	98.3	Very high	97.7	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.335	31%	0.309	S	S	.	.	H	α-helix	trans	-53.6	-49.9	-176.8	176.7	60.1	0	0	0	113.3	P291 Y300 P332 I333	P291-L296 HydrophobicContact CG-CD1 3.97Å; L296-Y300 VanDerWaalsContact O-CB 3.25Å; L296-Y300 WeakPolarHBondContact O-CB 3.14Å; L296-Y300 PolarHBondContact O-N 3.41Å; L296-P332 HydrophobicContact CD1-CB 3.7Å; L296-I333 HydrophobicContact CD1-CD1 4.04Å; L296-I333 HydrophobicContact CD1-CG1 3.81Å
297	D	98.4	Very high	97.7	Very high	103 Å²	103	55.7 Å²	55.7	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-72.7	-35	-176	-64.1	-34.9	0	0	0	112.9	K295 A301 R314	K295-D297 PolarHBondContact O-N 2.91Å; D297-A301 WeakPolarHBondContact O-CB 3.44Å; D297-A301 PolarHBondContact O-N 3.17Å; D297-R314 IonicContact OD1-CZ 3.14Å; D297-R314 IonicContact OD1-NH1 2.7Å; D297-R314 PolarHBondContact OD1-NH1 2.98Å; D297-R314 IonicContact OD1-NH2 3.66Å; D297-R314 PolarHBondContact OD1-NH2 3.24Å
298	E	98.3	Very high	97.7	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-52.7	176.5	-175.5	177.3	144.5	0	0	111.2	K295 Y300 A301 M302	K295-E298 VanDerWaalsContact CD-OE2 3.24Å; K295-E298 WeakPolarHBondContact CD-OE2 3.41Å; K295-E298 IonicContact NZ-OE1 3.68Å; K295-E298 PolarHBondContact NZ-OE1 2.76Å; K295-E298 IonicContact NZ-OE2 3.11Å; K295-E298 PolarHBondContact NZ-OE2 2.65Å; K295-E298 PolarHBondContact O-N 3.26Å; E298-Y300 PolarHBondContact O-N 3.48Å; E298-A301 PolarHBondContact O-N 3.23Å; E298-M302 HydrophobicContact CG-CE 3.86Å; E298-M302 WeakPolarHBondContact O-CG 3.26Å; E298-M302 PolarHBondContact O-N 3.27Å; E298-M302 VanDerWaalsContact O-N 3.08Å
299	V	98.5	Very high	97.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-41.5	178	173.1	0	0	0	0	111	V273 L277 I289 P291 K295 M302 L303 I333	V273-V299 HydrophobicContact CG2-CG1 4.28Å; V273-V299 HydrophobicContact CG2-CG2 4.24Å; L277-V299 HydrophobicContact CB-CG2 3.69Å; I289-V299 HydrophobicContact CG2-CG1 4.08Å; P291-V299 HydrophobicContact CB-CB 4.3Å; P291-V299 HydrophobicContact CB-CG2 4.17Å; P291-V299 HydrophobicContact CG-CB 4.17Å; P291-V299 HydrophobicContact CG-CG1 4.2Å; K295-V299 HydrophobicContact CB-CG2 4.22Å; K295-V299 WeakPolarHBondContact O-CB 3.28Å; K295-V299 WeakPolarHBondContact O-CG2 3.43Å; K295-V299 PolarHBondContact O-N 3.01Å; V299-M302 PolarHBondContact O-N 3.12Å; V299-L303 HydrophobicContact CG1-CD1 3.72Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 WeakPolarHBondContact O-CD1 3.42Å; V299-L303 VanDerWaalsContact O-CG 3.25Å; V299-L303 WeakPolarHBondContact O-CG 3.21Å; V299-L303 PolarHBondContact O-N 3.06Å; V299-I333 HydrophobicContact CB-CD1 4.12Å; V299-I333 HydrophobicContact CG1-CD1 3.68Å
300	Y	98.6	Very high	97.7	Very high	50 Å²	50	62.7 Å²	62.7	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-43.9	176.9	-176.8	-97.2	0	0	0	112.3	L296 E298 M302 L303 A304 A312 R314 I333	L296-Y300 VanDerWaalsContact O-CB 3.25Å; L296-Y300 WeakPolarHBondContact O-CB 3.14Å; L296-Y300 PolarHBondContact O-N 3.41Å; E298-Y300 PolarHBondContact O-N 3.48Å; Y300-M302 VanDerWaalsContact C-N 3.28Å; Y300-M302 PolarHBondContact O-N 2.92Å; Y300-L303 PolarHBondContact O-N 3.32Å; Y300-A304 HydrophobicContact CD1-CB 4.43Å; Y300-A304 HydrophobicContact CE1-CB 3.97Å; Y300-A304 WeakPolarHBondContact O-CB 3.22Å; Y300-A304 PolarHBondContact O-N 2.99Å; Y300-A312 HydrophobicContact CE2-CB 4.29Å; Y300-A312 WeakPolarHBondContact CE2-O 3.47Å; Y300-A312 PolarHBondContact OH-O 2.9Å; Y300-R314 HydrophobicContact CD1-CG 4.26Å; Y300-R314 VanDerWaalsContact CD1-NE 3.27Å; Y300-R314 HydrophobicContact CD2-CG 3.51Å; Y300-R314 HydrophobicContact CE1-CG 4.2Å; Y300-R314 HydrophobicContact CE2-CB 4.44Å; Y300-R314 HydrophobicContact CE2-CG 3.46Å; Y300-R314 VanDerWaalsContact CE2-CG 3.46Å; Y300-R314 HydrophobicContact CG-CG 3.92Å; Y300-I333 HydrophobicContact CD2-CD1 4.35Å; Y300-I333 HydrophobicContact CD2-CG1 4.24Å
301	A	98.2	Very high	97.7	Very high	76 Å²	76	63.6 Å²	63.6	63%	0.628	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-32.5	179.5	0	0	0	0	0	112.8	D297 E298 L303	D297-A301 WeakPolarHBondContact O-CB 3.44Å; D297-A301 PolarHBondContact O-N 3.17Å; E298-A301 PolarHBondContact O-N 3.23Å; A301-L303 VanDerWaalsContact C-N 3.31Å
302	M	98	Very high	97.7	Very high	78 Å²	78	63.2 Å²	63.2	38%	0.384	36%	0.361	S	S	.	.	H	α-helix	trans	-68.7	-27	172.5	-71.3	174.3	-178.6	0	0	113.2	V273 L277 E298 V299 Y300	V273-M302 HydrophobicContact CB-CB 4.39Å; V273-M302 HydrophobicContact CB-SD 4.27Å; V273-M302 HydrophobicContact CG2-SD 3.92Å; L277-M302 HydrophobicContact CD1-CE 4.22Å; L277-M302 HydrophobicContact CD1-SD 4.08Å; E298-M302 HydrophobicContact CG-CE 3.86Å; E298-M302 WeakPolarHBondContact O-CG 3.26Å; E298-M302 PolarHBondContact O-N 3.27Å; E298-M302 VanDerWaalsContact O-N 3.08Å; V299-M302 PolarHBondContact O-N 3.12Å; Y300-M302 VanDerWaalsContact C-N 3.28Å; Y300-M302 PolarHBondContact O-N 2.92Å
303	L	98	Very high	97.7	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-104.7	-25.6	-170.3	-66.9	174.8	0	0	0	115	L269 V273 V299 Y300 A301 D305 A306 M310 A312 L335	L269-L303 HydrophobicContact CD1-CD2 3.41Å; L269-L303 VanDerWaalsContact CD1-CD2 3.41Å; L269-L303 HydrophobicContact CG-CD2 4.49Å; V273-L303 HydrophobicContact CB-CD2 4.24Å; V273-L303 HydrophobicContact CB-CG 4.49Å; V273-L303 HydrophobicContact CG1-CD1 4.26Å; V273-L303 HydrophobicContact CG1-CD2 3.75Å; V273-L303 HydrophobicContact CG1-CG 4.26Å; V299-L303 HydrophobicContact CG1-CD1 3.72Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 WeakPolarHBondContact O-CD1 3.42Å; V299-L303 VanDerWaalsContact O-CG 3.25Å; V299-L303 WeakPolarHBondContact O-CG 3.21Å; V299-L303 PolarHBondContact O-N 3.06Å; Y300-L303 PolarHBondContact O-N 3.32Å; A301-L303 VanDerWaalsContact C-N 3.31Å; L303-D305 VanDerWaalsContact C-N 3.35Å; L303-D305 PolarHBondContact O-N 3.46Å; L303-A306 WeakPolarHBondContact O-CB 3.49Å; L303-A306 PolarHBondContact O-N 3.5Å; L303-M310 HydrophobicContact CD2-CE 4.21Å; L303-A312 HydrophobicContact CB-CB 4.23Å; L303-L335 HydrophobicContact CB-CD2 4.24Å; L303-L335 HydrophobicContact CD1-CD1 4.25Å; L303-L335 HydrophobicContact CD1-CD2 4.13Å
304	A	96.8	Very high	97.8	Very high	29 Å²	29	54.1 Å²	54.1	24%	0.24	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-49.4	-172.7	0	0	0	0	0	114	Y300	Y300-A304 HydrophobicContact CD1-CB 4.43Å; Y300-A304 HydrophobicContact CE1-CB 3.97Å; Y300-A304 WeakPolarHBondContact O-CB 3.22Å; Y300-A304 PolarHBondContact O-N 2.99Å
305	D	93.9	Very high	97.8	Very high	158 Å²	158	52.4 Å²	52.4	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	19.6	-178.5	-64.4	-64.3	0	0	0	112.3	L303 N307	L303-D305 VanDerWaalsContact C-N 3.35Å; L303-D305 PolarHBondContact O-N 3.46Å; D305-N307 VanDerWaalsContact C-N 3.34Å; D305-N307 PolarHBondContact O-N 2.95Å
306	A	96.7	Very high	97.7	Very high	24 Å²	24	55.4 Å²	55.4	20%	0.198	31%	0.305	C	S	.	.	S	Bend	trans	-60	-38.5	-172.4	0	0	0	0	0	114.2	Y272 L303 M310	Y272-A306 HydrophobicContact CD1-CB 3.7Å; Y272-A306 HydrophobicContact CD2-CB 4.21Å; Y272-A306 HydrophobicContact CE1-CB 4.13Å; Y272-A306 WeakPolarHBondContact CE1-O 3.33Å; Y272-A306 HydrophobicContact CG-CB 3.72Å; L303-A306 WeakPolarHBondContact O-CB 3.49Å; L303-A306 PolarHBondContact O-N 3.5Å; A306-M310 HydrophobicContact CB-CE 4Å
307	N	97.8	Very high	97.6	Very high	22 Å²	22	57.4 Å²	57.4	12%	0.118	32%	0.317	C	S	.	.			trans	-146.3	129.8	-177.1	-168.3	-63	0	0	0	110.4	I267 Y272 D305 N309 M310	I267-N307 HydrophobicContact CD1-CB 4.41Å; I267-N307 HydrophobicContact CG2-CB 4.02Å; Y272-N307 HydrophobicContact CE2-CB 4.43Å; Y272-N307 PolarHBondContact OH-ND2 3.41Å; D305-N307 VanDerWaalsContact C-N 3.34Å; D305-N307 PolarHBondContact O-N 2.95Å; N307-N309 PolarHBondContact O-N 3.12Å; N307-N309 WeakPolarHBondContact OD1-CB 3.16Å; N307-N309 PolarHBondContact OD1-N 2.89Å; N307-N309 PolarHBondContact OD1-ND2 3.22Å; N307-M310 HydrophobicContact CB-CB 4.22Å; N307-M310 PolarHBondContact O-N 3.07Å; N307-M310 VanDerWaalsContact O-O 3.09Å
308	P	97.2	Very high	97.6	Very high	102 Å²	102	52.8 Å²	52.8	66%	0.662	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.4	-178.6	29.4	-37	0	0	0	114.3	K338	P308-K338 VanDerWaalsContact O-CE 3.3Å; P308-K338 WeakPolarHBondContact O-CE 3.46Å; P308-K338 PolarHBondContact O-NZ 2.95Å
309	N	98	Very high	97.6	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.193	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	10.8	175	-53.7	-72.4	0	0	0	113.5	I267 N307 K338 W341	I267-N309 HydrophobicContact CD1-CB 4.09Å; N307-N309 PolarHBondContact O-N 3.12Å; N307-N309 WeakPolarHBondContact OD1-CB 3.16Å; N307-N309 PolarHBondContact OD1-N 2.89Å; N307-N309 PolarHBondContact OD1-ND2 3.22Å; N309-K338 HydrophobicContact CB-CB 4.49Å; N309-K338 HydrophobicContact CB-CD 4.36Å; N309-K338 PolarHBondContact O-N 3.26Å; N309-W341 HydrophobicContact CB-CD2 3.6Å; N309-W341 HydrophobicContact CB-CE3 4.08Å; N309-W341 HydrophobicContact CB-CG 3.87Å; N309-W341 HydrophobicContact CB-CZ2 4.11Å; N309-W341 VanDerWaalsContact CG-CZ2 3.47Å; N309-W341 WeakPolarHBondContact ND2-CH2 3.25Å; N309-W341 WeakPolarHBondContact ND2-CZ2 3.36Å; N309-W341 PolarHBondContact OD1-NE1 2.98Å
310	M	97.9	Very high	97.5	Very high	13 Å²	13	59 Å²	59	6%	0.064	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.7	170.5	-173	171.3	72.1	0	0	108.9	I267 L303 A306 N307 L335 E336 I343	I267-M310 HydrophobicContact CD1-CB 3.78Å; I267-M310 HydrophobicContact CG2-SD 4.23Å; L303-M310 HydrophobicContact CD2-CE 4.21Å; A306-M310 HydrophobicContact CB-CE 4Å; N307-M310 HydrophobicContact CB-CB 4.22Å; N307-M310 PolarHBondContact O-N 3.07Å; N307-M310 VanDerWaalsContact O-O 3.09Å; M310-L335 HydrophobicContact CE-CD2 4.26Å; M310-L335 HydrophobicContact CG-CB 4.27Å; M310-L335 HydrophobicContact SD-CB 4.02Å; M310-L335 HydrophobicContact SD-CD1 3.93Å; M310-L335 HydrophobicContact SD-CD2 4.18Å; M310-L335 HydrophobicContact SD-CG 4.27Å; M310-E336 CarbonylContact C-O 3.52Å; M310-E336 VanDerWaalsContact CA-O 3.31Å; M310-E336 WeakPolarHBondContact CA-O 2.92Å; M310-I343 HydrophobicContact CG-CD1 4.13Å; M310-I343 HydrophobicContact SD-CD1 3.88Å
311	V	97.6	Very high	97.3	Very high	56 Å²	56	61.7 Å²	61.7	34%	0.339	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.2	166.8	-173.5	0	0	0	0	107.5	Y313 L335 E336	V311-Y313 HydrophobicContact CB-CE2 4Å; V311-Y313 HydrophobicContact CG1-CD1 4.31Å; V311-Y313 HydrophobicContact CG1-CD2 4.26Å; V311-Y313 HydrophobicContact CG1-CE1 3.76Å; V311-Y313 HydrophobicContact CG1-CE2 3.72Å; V311-Y313 VanDerWaalsContact CG1-CZ 3.44Å; V311-L335 WeakPolarHBondContact O-CA 3.4Å; V311-E336 PolarHBondContact N-O 2.71Å; V311-E336 PolarHBondContact O-N 3.14Å
312	A	98.3	Very high	97.3	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.3	173.5	0	0	0	0	0	109.7	Y300 L303 L334 L335	Y300-A312 HydrophobicContact CE2-CB 4.29Å; Y300-A312 WeakPolarHBondContact CE2-O 3.47Å; Y300-A312 PolarHBondContact OH-O 2.9Å; L303-A312 HydrophobicContact CB-CB 4.23Å; A312-L334 WeakPolarHBondContact CA-O 3.5Å; A312-L335 HydrophobicContact CB-CD2 3.44Å; A312-L335 VanDerWaalsContact CB-CD2 3.44Å
313	Y	98.3	Very high	97.3	Very high	40 Å²	40	57.3 Å²	57.3	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.3	172.5	-56.1	-82.1	0	0	0	109.7	V311 I318 P319 I333 L334 E336	V311-Y313 HydrophobicContact CB-CE2 4Å; V311-Y313 HydrophobicContact CG1-CD1 4.31Å; V311-Y313 HydrophobicContact CG1-CD2 4.26Å; V311-Y313 HydrophobicContact CG1-CE1 3.76Å; V311-Y313 HydrophobicContact CG1-CE2 3.72Å; V311-Y313 VanDerWaalsContact CG1-CZ 3.44Å; Y313-I318 HydrophobicContact CG-CG1 4.29Å; Y313-P319 HydrophobicContact CE1-CG 3.91Å; Y313-I333 WeakPolarHBondContact O-CA 3.09Å; Y313-L334 PolarHBondContact N-O 2.97Å; Y313-L334 PolarHBondContact O-N 2.72Å; Y313-E336 HydrophobicContact CE2-CB 4.09Å; Y313-E336 PolarHBondContact OH-OE2 3.21Å
314	R	98.3	Very high	97.3	Very high	60 Å²	60	57.6 Å²	57.6	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	144.8	149.9	-66.3	-173	176	-123.6	3.1	107.8	D297 Y300 D316 N317 I318	D297-R314 IonicContact OD1-CZ 3.14Å; D297-R314 IonicContact OD1-NH1 2.7Å; D297-R314 PolarHBondContact OD1-NH1 2.98Å; D297-R314 IonicContact OD1-NH2 3.66Å; D297-R314 PolarHBondContact OD1-NH2 3.24Å; Y300-R314 HydrophobicContact CD1-CG 4.26Å; Y300-R314 VanDerWaalsContact CD1-NE 3.27Å; Y300-R314 HydrophobicContact CD2-CG 3.51Å; Y300-R314 HydrophobicContact CE1-CG 4.2Å; Y300-R314 HydrophobicContact CE2-CB 4.44Å; Y300-R314 HydrophobicContact CE2-CG 3.46Å; Y300-R314 VanDerWaalsContact CE2-CG 3.46Å; Y300-R314 HydrophobicContact CG-CG 3.92Å; R314-D316 VanDerWaalsContact C-N 3.26Å; R314-D316 PolarHBondContact O-N 2.92Å; R314-N317 HydrophobicContact CB-CB 4.42Å; R314-N317 CarbonylContact O-C 3.56Å; R314-N317 WeakPolarHBondContact O-CA 3.43Å; R314-N317 PolarHBondContact O-N 2.79Å; R314-I318 PolarHBondContact O-N 2.82Å; R314-I318 VanDerWaalsContact O-N 3.15Å
315	K	97.6	Very high	97.3	Very high	42 Å²	42	58.4 Å²	58.4	18%	0.183	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-45.1	-49.6	176.9	-175.3	173.9	-176.2	165.9	0	113.6	N317 I318 Q325 N327 I330 P332	K315-N317 PolarHBondContact O-N 2.91Å; K315-N317 VanDerWaalsContact O-N 3.13Å; K315-I318 WeakPolarHBondContact O-CB 3.17Å; K315-I318 WeakPolarHBondContact O-CG1 3.12Å; K315-I318 PolarHBondContact O-N 2.94Å; K315-I318 VanDerWaalsContact O-N 3.15Å; K315-Q325 WeakPolarHBondContact CE-O 3.47Å; K315-Q325 WeakPolarHBondContact O-CG 3.46Å; K315-Q325 PolarHBondContact O-NE2 3Å; K315-N327 WeakPolarHBondContact CE-O 3.24Å; K315-N327 PolarHBondContact NZ-O 2.97Å; K315-I330 HydrophobicContact CD-CG2 4.39Å; K315-I330 WeakPolarHBondContact CE-O 3.33Å; K315-I330 HydrophobicContact CG-CG2 4.21Å; K315-I330 PolarHBondContact NZ-O 2.88Å; K315-P332 PolarHBondContact N-O 3.47Å
316	D	96.8	Very high	97.4	Very high	126 Å²	126	57.2 Å²	57.2	67%	0.674	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.8	-10.4	-178.4	-50.1	-38.8	0	0	0	113.8	R314 Q325	R314-D316 VanDerWaalsContact C-N 3.26Å; R314-D316 PolarHBondContact O-N 2.92Å; D316-Q325 PolarHBondContact O-NE2 3.39Å
317	N	97.3	Very high	97.5	Very high	107 Å²	107	56.7 Å²	56.7	57%	0.572	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-114.4	8.3	178	-63.1	-11.4	0	0	0	113	R314 K315	R314-N317 HydrophobicContact CB-CB 4.42Å; R314-N317 CarbonylContact O-C 3.56Å; R314-N317 WeakPolarHBondContact O-CA 3.43Å; R314-N317 PolarHBondContact O-N 2.79Å; K315-N317 PolarHBondContact O-N 2.91Å; K315-N317 VanDerWaalsContact O-N 3.13Å
318	I	97.9	Very high	97.5	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.301	C	S	.	.	S	Bend	trans	-62.7	134.7	170.2	-65.7	170.9	0	0	0	108.2	Y313 R314 K315 E320 F322 Y324 I330 L334	Y313-I318 HydrophobicContact CG-CG1 4.29Å; R314-I318 PolarHBondContact O-N 2.82Å; R314-I318 VanDerWaalsContact O-N 3.15Å; K315-I318 WeakPolarHBondContact O-CB 3.17Å; K315-I318 WeakPolarHBondContact O-CG1 3.12Å; K315-I318 PolarHBondContact O-N 2.94Å; K315-I318 VanDerWaalsContact O-N 3.15Å; I318-E320 PolarHBondContact O-N 3.11Å; I318-F322 HydrophobicContact CG2-CB 4.45Å; I318-F322 HydrophobicContact CG2-CD2 3.96Å; I318-Y324 HydrophobicContact CD1-CD1 4.38Å; I318-Y324 WeakPolarHBondContact CD1-O 3.48Å; I318-I330 HydrophobicContact CD1-CG2 4.01Å; I318-L334 HydrophobicContact CD1-CB 4.16Å; I318-L334 HydrophobicContact CD1-CD2 3.97Å; I318-L334 HydrophobicContact CG1-CD2 4.44Å
319	P	97.4	Very high	97.5	Very high	34 Å²	34	54.6 Å²	54.6	22%	0.221	27%	0.271	C	S	.	.			trans	-57.1	129.3	-178.6	-26.7	34.6	0	0	0	113.4	Y313 H321 F322	Y313-P319 HydrophobicContact CE1-CG 3.91Å; P319-H321 WeakPolarHBondContact CB-CE1 3.48Å; P319-H321 PolarHBondContact O-N 3.23Å; P319-H321 VanDerWaalsContact O-N 3.12Å; P319-F322 HydrophobicContact CB-CD2 4.15Å; P319-F322 HydrophobicContact CB-CE2 4.31Å; P319-F322 HydrophobicContact CB-CG 4.49Å; P319-F322 HydrophobicContact CG-CD2 4.09Å; P319-F322 HydrophobicContact CG-CE2 3.89Å; P319-F322 WeakPolarHBondContact O-CB 3.02Å; P319-F322 PolarHBondContact O-N 3.33Å
320	E	96.5	Very high	97.5	Very high	170 Å²	170	53 Å²	53	79%	0.794	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-53.2	-37.3	-176.1	-174.1	179.7	-174.2	0	0	113.3	I318 F322 H323	I318-E320 PolarHBondContact O-N 3.11Å; E320-F322 PolarHBondContact O-N 3.09Å; E320-F322 VanDerWaalsContact O-N 3.17Å; E320-H323 PolarHBondContact O-N 2.75Å
321	H	95.4	Very high	97.5	Very high	107 Å²	107	52.7 Å²	52.7	50%	0.495	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-66.2	-14.3	-179.7	69.6	-90	0	0	0	114.7	P319 H323	P319-H321 WeakPolarHBondContact CB-CE1 3.48Å; P319-H321 PolarHBondContact O-N 3.23Å; P319-H321 VanDerWaalsContact O-N 3.12Å; H321-H323 VanDerWaalsContact C-N 3.34Å
322	F	97.5	Very high	97.5	Very high	4 Å²	4	52 Å²	52	2%	0.018	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-77.5	-19.1	171.7	-68.8	-22.2	0	0	0	113	Y83 I318 P319 E320 Y324 N359	Y83-F322 HydrophobicContact CD1-CB 3.83Å; Y83-F322 AromaticContact CD1-CD2 3.97Å; Y83-F322 HydrophobicContact CD1-CD2 3.97Å; Y83-F322 AromaticContact CD1-CG 3.93Å; Y83-F322 HydrophobicContact CD1-CG 3.93Å; Y83-F322 AromaticContact CD2-CD1 3.89Å; Y83-F322 HydrophobicContact CD2-CD1 3.89Å; Y83-F322 HydrophobicContact CD2-CD2 4.17Å; Y83-F322 AromaticContact CD2-CE1 3.99Å; Y83-F322 HydrophobicContact CD2-CE1 3.99Å; Y83-F322 HydrophobicContact CD2-CE2 4.27Å; Y83-F322 AromaticContact CD2-CG 4Å; Y83-F322 HydrophobicContact CD2-CG 4Å; Y83-F322 HydrophobicContact CD2-CZ 4.18Å; Y83-F322 HydrophobicContact CE1-CB 4.47Å; Y83-F322 AromaticContact CE1-CD2 3.83Å; Y83-F322 HydrophobicContact CE1-CD2 3.83Å; Y83-F322 HydrophobicContact CE1-CE2 4.27Å; Y83-F322 HydrophobicContact CE1-CG 4.26Å; Y83-F322 HydrophobicContact CE2-CD1 4.39Å; Y83-F322 HydrophobicContact CE2-CD2 4.04Å; Y83-F322 HydrophobicContact CE2-CE1 4.19Å; Y83-F322 AromaticContact CE2-CE2 3.82Å; Y83-F322 HydrophobicContact CE2-CE2 3.82Å; Y83-F322 HydrophobicContact CE2-CG 4.33Å; Y83-F322 AromaticContact CE2-CZ 3.91Å; Y83-F322 HydrophobicContact CE2-CZ 3.91Å; Y83-F322 HydrophobicContact CG-CB 3.87Å; Y83-F322 AromaticContact CG-CD1 3.98Å; Y83-F322 HydrophobicContact CG-CD1 3.98Å; Y83-F322 HydrophobicContact CG-CD2 4.12Å; Y83-F322 AromaticContact CG-CG 3.76Å; Y83-F322 HydrophobicContact CG-CG 3.76Å; Y83-F322 AromaticContact CZ-CD2 3.85Å; Y83-F322 AromaticContact CZ-CE2 3.8Å; I318-F322 HydrophobicContact CG2-CB 4.45Å; I318-F322 HydrophobicContact CG2-CD2 3.96Å; P319-F322 HydrophobicContact CB-CD2 4.15Å; P319-F322 HydrophobicContact CB-CE2 4.31Å; P319-F322 HydrophobicContact CB-CG 4.49Å; P319-F322 HydrophobicContact CG-CD2 4.09Å; P319-F322 HydrophobicContact CG-CE2 3.89Å; P319-F322 WeakPolarHBondContact O-CB 3.02Å; P319-F322 PolarHBondContact O-N 3.33Å; E320-F322 PolarHBondContact O-N 3.09Å; E320-F322 VanDerWaalsContact O-N 3.17Å; F322-Y324 PolarHBondContact O-N 3.41Å; F322-N359 WeakPolarHBondContact CZ-ND2 3.46Å
323	H	98.2	Very high	97.6	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.269	26%	0.255	S	S	.	.			trans	49.9	47.1	-173.2	-60.9	-71.1	0	0	0	112.1	Y99 E101 E320 H321	Y99-H323 HydrophobicContact CD1-CB 3.79Å; Y99-H323 HydrophobicContact CD2-CB 3.52Å; Y99-H323 AromaticContact CD2-CD2 3.77Å; Y99-H323 AromaticContact CD2-CG 3.47Å; Y99-H323 VanDerWaalsContact CD2-CG 3.47Å; Y99-H323 HydrophobicContact CE1-CB 4.27Å; Y99-H323 AromaticContact CE1-CD2 3.73Å; Y99-H323 HydrophobicContact CE2-CB 4.04Å; Y99-H323 AromaticContact CE2-CD2 3.31Å; Y99-H323 WeakPolarHBondContact CE2-CD2 3.47Å; Y99-H323 AromaticContact CE2-CG 3.5Å; Y99-H323 VanDerWaalsContact CE2-CG 3.5Å; Y99-H323 AromaticContact CE2-ND1 3.99Å; Y99-H323 AromaticContact CE2-NE2 3.69Å; Y99-H323 HydrophobicContact CG-CB 3.39Å; Y99-H323 AromaticContact CG-CG 3.84Å; Y99-H323 AromaticContact CZ-CD2 3.29Å; Y99-H323 AromaticContact CZ-CG 3.9Å; Y99-H323 AromaticContact CZ-NE2 3.84Å; E101-H323 WeakPolarHBondContact CB-O 3.44Å; E101-H323 WeakPolarHBondContact CG-O 3.49Å; E101-H323 WeakPolarHBondContact OE1-CA 3.32Å; E101-H323 IonicContact OE1-ND1 3.73Å; E101-H323 VanDerWaalsContact OE2-C 3.26Å; E320-H323 PolarHBondContact O-N 2.75Å; H321-H323 VanDerWaalsContact C-N 3.34Å
324	Y	98.2	Very high	97.6	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.031	25%	0.248	C	C	.	.			trans	-137.2	49.3	-171.2	-158.7	-101.5	0	0	0	111.8	Y83 I84 A100 E101 V106 I318 F322 I330 L334	Y83-Y324 AromaticContact CD1-CD1 3.95Å; Y83-Y324 HydrophobicContact CD1-CD1 3.95Å; Y83-Y324 HydrophobicContact CD1-CD2 4.16Å; Y83-Y324 AromaticContact CD1-CG 3.68Å; Y83-Y324 HydrophobicContact CD1-CG 3.68Å; Y83-Y324 AromaticContact CE1-CD1 3.85Å; Y83-Y324 HydrophobicContact CE1-CD1 3.85Å; Y83-Y324 HydrophobicContact CE1-CE1 4.4Å; Y83-Y324 HydrophobicContact CE1-CG 4.08Å; Y83-Y324 VanDerWaalsContact O-CD2 3.31Å; Y83-Y324 WeakPolarHBondContact O-CD2 3.24Å; I84-Y324 HydrophobicContact CG2-CE1 4.32Å; I84-Y324 HydrophobicContact CG2-CE2 4.49Å; A100-Y324 HydrophobicContact CB-CD2 3.88Å; A100-Y324 HydrophobicContact CB-CE2 3.96Å; E101-Y324 PolarHBondContact OE2-N 2.85Å; V106-Y324 HydrophobicContact CB-CE2 3.78Å; V106-Y324 WeakPolarHBondContact O-CE2 3.42Å; V106-Y324 PolarHBondContact O-OH 2.97Å; V106-Y324 VanDerWaalsContact O-OH 3.09Å; I318-Y324 HydrophobicContact CD1-CD1 4.38Å; I318-Y324 WeakPolarHBondContact CD1-O 3.48Å; F322-Y324 PolarHBondContact O-N 3.41Å; Y324-I330 HydrophobicContact CD1-CD1 4.22Å; Y324-I330 HydrophobicContact CD1-CG1 4.26Å; Y324-I330 HydrophobicContact CD1-CG2 4.15Å; Y324-I330 HydrophobicContact CD2-CD1 4.15Å; Y324-I330 HydrophobicContact CD2-CG1 4.5Å; Y324-I330 HydrophobicContact CE1-CD1 4.41Å; Y324-I330 HydrophobicContact CE1-CG1 3.97Å; Y324-I330 HydrophobicContact CE1-CG2 4Å; Y324-I330 HydrophobicContact CE2-CD1 4.33Å; Y324-I330 HydrophobicContact CE2-CG1 4.22Å; Y324-I330 HydrophobicContact CG-CD1 4.08Å; Y324-L334 HydrophobicContact CD1-CD2 3.96Å; Y324-L334 HydrophobicContact CE1-CD1 4.01Å; Y324-L334 HydrophobicContact CE1-CD2 3.96Å
325	Q	96.3	Very high	97.6	Very high	46 Å²	46	47 Å²	47	22%	0.215	24%	0.238	C	C	.	.	S	Bend	trans	-127.6	-39.3	179.2	179.1	169.3	98.4	0	0	112.6	E101 K315 D316 N327	E101-Q325 PolarHBondContact OE2-N 2.77Å; K315-Q325 WeakPolarHBondContact CE-O 3.47Å; K315-Q325 WeakPolarHBondContact O-CG 3.46Å; K315-Q325 PolarHBondContact O-NE2 3Å; D316-Q325 PolarHBondContact O-NE2 3.39Å; Q325-N327 PolarHBondContact O-N 3.1Å
326	H	96.8	Very high	97.6	Very high	133 Å²	133	45.7 Å²	45.7	62%	0.616	23%	0.232	S	C	*	.	S	Bend	trans	-93.7	39.6	-159.9	-56.8	-55.1	0	0	0	115.3	E101	E101-H326 HydrophobicContact CG-CB 4.42Å; E101-H326 IonicContact OE1-CD2 3.53Å; E101-H326 IonicContact OE2-CD2 3.51Å; E101-H326 PolarHBondContact OE2-CD2 3.17Å; E101-H326 IonicContact OE2-CG 2.73Å; E101-H326 PolarHBondContact OE2-N 3.4Å
327	N	98.1	Very high	97.7	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	20%	0.201	C	C	.	.			trans	-134.5	143.8	174.1	-157.1	-76.1	0	0	0	112.9	E101 V106 Q134 K315 Q325 R329 I330	E101-N327 HydrophobicContact CB-CB 4.33Å; E101-N327 WeakPolarHBondContact O-CB 3.3Å; E101-N327 PolarHBondContact O-ND2 2.93Å; V106-N327 HydrophobicContact CG1-CB 4.07Å; Q134-N327 PolarHBondContact OE1-ND2 2.86Å; K315-N327 WeakPolarHBondContact CE-O 3.24Å; K315-N327 PolarHBondContact NZ-O 2.97Å; Q325-N327 PolarHBondContact O-N 3.1Å; N327-R329 PolarHBondContact O-N 2.93Å; N327-R329 PolarHBondContact OD1-N 2.9Å; N327-R329 VanDerWaalsContact OD1-N 3.13Å; N327-I330 HydrophobicContact CB-CD1 3.88Å; N327-I330 HydrophobicContact CB-CG1 4.26Å; N327-I330 PolarHBondContact O-N 3.42Å
328	V	97.1	Very high	97.7	Very high	73 Å²	73	39.8 Å²	39.8	44%	0.442	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	179.8	-53	0	0	0	0	113.2	P113 I330	P113-V328 WeakPolarHBondContact CD-O 3.47Å; V328-I330 VanDerWaalsContact C-N 3.34Å
329	R	98	Very high	97.7	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.03	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.9	-179.1	-63.3	163.8	-173.9	176.7	-2.4	113.8	G104 V106 D112 R130 W131 N327 M331	G104-R329 WeakPolarHBondContact O-CD 3.42Å; G104-R329 PolarHBondContact O-NH1 3.44Å; V106-R329 HydrophobicContact CG2-CB 3.72Å; D112-R329 HydrophobicContact CB-CG 4.11Å; D112-R329 IonicContact OD2-CZ 2.88Å; D112-R329 IonicContact OD2-NE 3Å; D112-R329 PolarHBondContact OD2-NE 3.17Å; D112-R329 IonicContact OD2-NH2 3.98Å; D112-R329 PolarHBondContact OD2-NH2 2.76Å; R130-R329 PolarHBondContact O-NH2 3.11Å; W131-R329 VanDerWaalsContact CE3-CZ 3.5Å; W131-R329 HydrophobicContact CZ3-CG 4.17Å; W131-R329 PolarHBondContact O-NH1 3.15Å; N327-R329 PolarHBondContact O-N 2.93Å; N327-R329 PolarHBondContact OD1-N 2.9Å; N327-R329 VanDerWaalsContact OD1-N 3.13Å; R329-M331 WeakPolarHBondContact O-CE 3.3Å
330	I	98.4	Very high	97.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.203	C	C	.	.	S	Bend	trans	-79.3	121.4	169.6	-64.7	159.9	0	0	0	107.6	E101 V106 K315 I318 Y324 N327 V328	E101-I330 HydrophobicContact CB-CD1 4.01Å; V106-I330 HydrophobicContact CB-CG1 4.01Å; V106-I330 HydrophobicContact CG1-CD1 4.15Å; V106-I330 HydrophobicContact CG1-CG1 3.87Å; V106-I330 HydrophobicContact CG2-CG1 4.17Å; K315-I330 HydrophobicContact CD-CG2 4.39Å; K315-I330 WeakPolarHBondContact CE-O 3.33Å; K315-I330 HydrophobicContact CG-CG2 4.21Å; K315-I330 PolarHBondContact NZ-O 2.88Å; I318-I330 HydrophobicContact CD1-CG2 4.01Å; Y324-I330 HydrophobicContact CD1-CD1 4.22Å; Y324-I330 HydrophobicContact CD1-CG1 4.26Å; Y324-I330 HydrophobicContact CD1-CG2 4.15Å; Y324-I330 HydrophobicContact CD2-CD1 4.15Å; Y324-I330 HydrophobicContact CD2-CG1 4.5Å; Y324-I330 HydrophobicContact CE1-CD1 4.41Å; Y324-I330 HydrophobicContact CE1-CG1 3.97Å; Y324-I330 HydrophobicContact CE1-CG2 4Å; Y324-I330 HydrophobicContact CE2-CD1 4.33Å; Y324-I330 HydrophobicContact CE2-CG1 4.22Å; Y324-I330 HydrophobicContact CG-CD1 4.08Å; N327-I330 HydrophobicContact CB-CD1 3.88Å; N327-I330 HydrophobicContact CB-CG1 4.26Å; N327-I330 PolarHBondContact O-N 3.42Å; V328-I330 VanDerWaalsContact C-N 3.34Å
331	M	98.1	Very high	97.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.03	18%	0.175	C	C	.	.			trans	-70.3	157	-172.2	-67.6	-59.7	105.7	0	0	112.9	Y111 V281 I289 L290 R329 I333	Y111-M331 HydrophobicContact CD1-CE 4.33Å; Y111-M331 HydrophobicContact CD1-SD 4.48Å; Y111-M331 WeakPolarHBondContact O-CE 3.39Å; V281-M331 HydrophobicContact CB-CG 4Å; V281-M331 HydrophobicContact CB-SD 4.35Å; V281-M331 HydrophobicContact CG1-CG 4.28Å; V281-M331 HydrophobicContact CG1-SD 4.45Å; V281-M331 HydrophobicContact CG2-CG 4.01Å; V281-M331 HydrophobicContact CG2-SD 3.8Å; I289-M331 WeakPolarHBondContact O-CB 3.21Å; L290-M331 HydrophobicContact CB-SD 3.78Å; L290-M331 HydrophobicContact CD1-SD 4.24Å; L290-M331 HydrophobicContact CD2-SD 4.41Å; L290-M331 HydrophobicContact CG-SD 4.37Å; R329-M331 WeakPolarHBondContact O-CE 3.3Å; M331-I333 PolarHBondContact O-N 2.88Å
332	P	98.3	Very high	97.8	Very high	42 Å²	42	31.6 Å²	31.6	27%	0.273	15%	0.154	S	C	.	.	S	Bend	trans	-59.6	-30.3	-177.3	-26.7	36.4	0	0	0	114.7	L290 L296 K315	L290-P332 HydrophobicContact CD1-CG 3.98Å; L296-P332 HydrophobicContact CD1-CB 3.7Å; K315-P332 PolarHBondContact N-O 3.47Å
333	I	98.5	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	172.8	-60.7	172.4	0	0	0	108.2	I289 P291 L296 V299 Y300 Y313 M331 L335	I289-I333 HydrophobicContact CB-CB 4.04Å; I289-I333 HydrophobicContact CB-CG2 4.26Å; I289-I333 HydrophobicContact CG2-CB 4.35Å; I289-I333 PolarHBondContact N-O 2.88Å; I289-I333 PolarHBondContact O-N 3.26Å; P291-I333 HydrophobicContact CG-CD1 3.72Å; P291-I333 HydrophobicContact CG-CG1 4.3Å; L296-I333 HydrophobicContact CD1-CD1 4.04Å; L296-I333 HydrophobicContact CD1-CG1 3.81Å; V299-I333 HydrophobicContact CB-CD1 4.12Å; V299-I333 HydrophobicContact CG1-CD1 3.68Å; Y300-I333 HydrophobicContact CD2-CD1 4.35Å; Y300-I333 HydrophobicContact CD2-CG1 4.24Å; Y313-I333 WeakPolarHBondContact O-CA 3.09Å; M331-I333 PolarHBondContact O-N 2.88Å; I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.43Å
334	L	98.4	Very high	97.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127	172.5	-166.2	74.6	0	0	0	108.7	Y83 V286 A312 Y313 I318 Y324	Y83-L334 HydrophobicContact CE1-CD2 3.94Å; V286-L334 HydrophobicContact CG1-CD1 3.66Å; V286-L334 HydrophobicContact CG1-CD2 3.85Å; V286-L334 HydrophobicContact CG1-CG 3.7Å; A312-L334 WeakPolarHBondContact CA-O 3.5Å; Y313-L334 PolarHBondContact N-O 2.97Å; Y313-L334 PolarHBondContact O-N 2.72Å; I318-L334 HydrophobicContact CD1-CB 4.16Å; I318-L334 HydrophobicContact CD1-CD2 3.97Å; I318-L334 HydrophobicContact CG1-CD2 4.44Å; Y324-L334 HydrophobicContact CD1-CD2 3.96Å; Y324-L334 HydrophobicContact CE1-CD1 4.01Å; Y324-L334 HydrophobicContact CE1-CD2 3.96Å
335	L	98.5	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.8	175.2	-54.4	179.5	0	0	0	109.5	L269 V286 V287 I289 L303 M310 V311 A312 I333 I343	L269-L335 HydrophobicContact CD1-CD1 3.74Å; L269-L335 HydrophobicContact CD2-CD1 4.04Å; V286-L335 CarbonylContact C-O 3.45Å; V286-L335 VanDerWaalsContact CA-O 3.24Å; V286-L335 WeakPolarHBondContact CA-O 3.43Å; V287-L335 HydrophobicContact CB-CB 4.27Å; V287-L335 PolarHBondContact N-O 2.84Å; V287-L335 PolarHBondContact O-N 3.49Å; I289-L335 HydrophobicContact CD1-CD1 4.18Å; I289-L335 HydrophobicContact CG1-CD1 3.72Å; I289-L335 HydrophobicContact CG1-CG 3.91Å; L303-L335 HydrophobicContact CB-CD2 4.24Å; L303-L335 HydrophobicContact CD1-CD1 4.25Å; L303-L335 HydrophobicContact CD1-CD2 4.13Å; M310-L335 HydrophobicContact CE-CD2 4.26Å; M310-L335 HydrophobicContact CG-CB 4.27Å; M310-L335 HydrophobicContact SD-CB 4.02Å; M310-L335 HydrophobicContact SD-CD1 3.93Å; M310-L335 HydrophobicContact SD-CD2 4.18Å; M310-L335 HydrophobicContact SD-CG 4.27Å; V311-L335 WeakPolarHBondContact O-CA 3.4Å; A312-L335 HydrophobicContact CB-CD2 3.44Å; A312-L335 VanDerWaalsContact CB-CD2 3.44Å; I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.43Å; L335-I343 HydrophobicContact CB-CD1 3.65Å
336	E	97.8	Very high	97.1	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.3	174.7	173.9	168.8	-135.4	0	0	110.2	Y83 V286 M310 V311 Y313 N359	Y83-E336 WeakPolarHBondContact CE2-OE1 3.5Å; V286-E336 HydrophobicContact CG2-CB 4.28Å; V286-E336 HydrophobicContact CG2-CG 4.12Å; M310-E336 CarbonylContact C-O 3.52Å; M310-E336 VanDerWaalsContact CA-O 3.31Å; M310-E336 WeakPolarHBondContact CA-O 2.92Å; V311-E336 PolarHBondContact N-O 2.71Å; V311-E336 PolarHBondContact O-N 3.14Å; Y313-E336 HydrophobicContact CE2-CB 4.09Å; Y313-E336 PolarHBondContact OH-OE2 3.21Å; E336-N359 WeakPolarHBondContact OE1-CB 3.46Å; E336-N359 PolarHBondContact OE1-N 2.85Å
337	A	98.3	Very high	96.8	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.2	167.5	0	0	0	0	0	111.4	P285 W341 I343 Y358	P285-A337 HydrophobicContact CB-CB 4.25Å; P285-A337 PolarHBondContact O-N 3.15Å; A337-W341 HydrophobicContact CB-CB 4.03Å; A337-W341 WeakPolarHBondContact CB-O 3.37Å; A337-I343 HydrophobicContact CB-CD1 4.25Å; A337-I343 HydrophobicContact CB-CG1 3.81Å; A337-Y358 HydrophobicContact CB-CE1 4.48Å; A337-Y358 WeakPolarHBondContact O-CD1 3.36Å
338	K	97.7	Very high	96.2	Very high	107 Å²	107	37.1 Å²	37.1	47%	0.465	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-64.5	152.7	167.3	-71.6	-174.8	-178.6	164.4	0	110.8	P308 N309 G340 W341 Y358	P308-K338 VanDerWaalsContact O-CE 3.3Å; P308-K338 WeakPolarHBondContact O-CE 3.46Å; P308-K338 PolarHBondContact O-NZ 2.95Å; N309-K338 HydrophobicContact CB-CB 4.49Å; N309-K338 HydrophobicContact CB-CD 4.36Å; N309-K338 PolarHBondContact O-N 3.26Å; K338-G340 PolarHBondContact O-N 2.92Å; K338-W341 VanDerWaalsContact O-CB 3.3Å; K338-W341 WeakPolarHBondContact O-CB 3.21Å; K338-W341 PolarHBondContact O-N 3.25Å; K338-Y358 WeakPolarHBondContact O-CE1 3.38Å
339	E	97.8	Very high	95.4	Very high	80 Å²	80	35.6 Å²	35.6	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	127	179.8	-169	177.1	-118.6	0	0	113.1	A259 W341 L362	A259-E339 HydrophobicContact CB-CG 4.16Å; E339-W341 VanDerWaalsContact C-N 3.27Å; E339-W341 PolarHBondContact O-N 3.49Å; E339-L362 HydrophobicContact CB-CD1 3.94Å; E339-L362 HydrophobicContact CB-CD2 4.44Å; E339-L362 HydrophobicContact CG-CD1 4.16Å
340	G	97.3	Very high	94.7	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.9	-178	0	0	0	0	0	115.6	Q260 K265 K338 Y358	Q260-G340 VanDerWaalsContact O-CA 3.23Å; Q260-G340 WeakPolarHBondContact O-CA 3.49Å; K265-G340 WeakPolarHBondContact CB-O 3.46Å; K265-G340 WeakPolarHBondContact CD-O 3.41Å; K338-G340 PolarHBondContact O-N 2.92Å; G340-Y358 PolarHBondContact N-OH 3.37Å
341	W	98	Very high	94.4	Very high	53 Å²	53	45.8 Å²	45.8	20%	0.201	24%	0.236	C	C	.	.			trans	-97.1	147.3	165.7	-69.8	79.1	0	0	0	110.9	K265 I267 N309 A337 K338 E339 Y358	K265-W341 VanDerWaalsContact CA-CE3 3.45Å; K265-W341 HydrophobicContact CB-CB 4.46Å; K265-W341 HydrophobicContact CB-CD2 3.64Å; K265-W341 HydrophobicContact CB-CE3 3.78Å; K265-W341 HydrophobicContact CB-CG 3.96Å; K265-W341 HydrophobicContact CB-CZ2 4.43Å; K265-W341 HydrophobicContact CB-CZ3 4.25Å; K265-W341 HydrophobicContact CD-CD2 4.45Å; K265-W341 HydrophobicContact CD-CG 4.38Å; K265-W341 HydrophobicContact CG-CD2 4.03Å; K265-W341 HydrophobicContact CG-CE3 4.44Å; K265-W341 HydrophobicContact CG-CG 4.43Å; K265-W341 HydrophobicContact CG-CH2 4.46Å; K265-W341 HydrophobicContact CG-CZ2 4.06Å; K265-W341 WeakPolarHBondContact O-CA 3.39Å; I267-W341 HydrophobicContact CD1-CB 4.48Å; I267-W341 HydrophobicContact CD1-CE3 4.16Å; I267-W341 HydrophobicContact CG1-CE3 3.68Å; I267-W341 HydrophobicContact CG1-CZ3 4.27Å; N309-W341 HydrophobicContact CB-CD2 3.6Å; N309-W341 HydrophobicContact CB-CE3 4.08Å; N309-W341 HydrophobicContact CB-CG 3.87Å; N309-W341 HydrophobicContact CB-CZ2 4.11Å; N309-W341 VanDerWaalsContact CG-CZ2 3.47Å; N309-W341 WeakPolarHBondContact ND2-CH2 3.25Å; N309-W341 WeakPolarHBondContact ND2-CZ2 3.36Å; N309-W341 PolarHBondContact OD1-NE1 2.98Å; A337-W341 HydrophobicContact CB-CB 4.03Å; A337-W341 WeakPolarHBondContact CB-O 3.37Å; K338-W341 VanDerWaalsContact O-CB 3.3Å; K338-W341 WeakPolarHBondContact O-CB 3.21Å; K338-W341 PolarHBondContact O-N 3.25Å; E339-W341 VanDerWaalsContact C-N 3.27Å; E339-W341 PolarHBondContact O-N 3.49Å; W341-Y358 WeakPolarHBondContact O-CE1 3.48Å; W341-Y358 PolarHBondContact O-OH 3.15Å; W341-Y358 VanDerWaalsContact O-OH 3.1Å
342	T	97.3	Very high	94.2	Very high	8 Å²	8	49 Å²	49	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.9	176.4	-174.8	0	0	0	0	110.7	L261 K265 I266 I267 S284 M344 F351	L261-T342 HydrophobicContact CD1-CG2 4.48Å; K265-T342 PolarHBondContact O-N 2.79Å; I266-T342 HydrophobicContact CB-CG2 4.33Å; I266-T342 HydrophobicContact CG1-CG2 3.8Å; I266-T342 HydrophobicContact CG2-CG2 4.41Å; I267-T342 PolarHBondContact N-O 3.06Å; S284-T342 WeakPolarHBondContact OG-CA 3.46Å; S284-T342 PolarHBondContact OG-OG1 3.16Å; T342-M344 HydrophobicContact CG2-CG 4.44Å; T342-M344 HydrophobicContact CG2-SD 4.47Å; T342-F351 HydrophobicContact CG2-CE2 3.97Å
343	I	96.9	Very high	94.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	172	-44.6	-178.8	0	0	0	107.9	W280 S284 V287 M310 L335 A337	W280-I343 HydrophobicContact CH2-CB 4.26Å; W280-I343 HydrophobicContact CH2-CG2 3.85Å; W280-I343 HydrophobicContact CZ3-CG2 4.23Å; S284-I343 VanDerWaalsContact CB-O 3.27Å; S284-I343 WeakPolarHBondContact CB-O 3.4Å; S284-I343 PolarHBondContact OG-N 3.47Å; S284-I343 PolarHBondContact OG-O 3Å; V287-I343 HydrophobicContact CB-CD1 4.47Å; V287-I343 HydrophobicContact CG2-CB 4.02Å; V287-I343 HydrophobicContact CG2-CD1 4.06Å; V287-I343 HydrophobicContact CG2-CG1 4.48Å; V287-I343 HydrophobicContact CG2-CG2 4.36Å; M310-I343 HydrophobicContact CG-CD1 4.13Å; M310-I343 HydrophobicContact SD-CD1 3.88Å; L335-I343 HydrophobicContact CB-CD1 3.65Å; A337-I343 HydrophobicContact CB-CD1 4.25Å; A337-I343 HydrophobicContact CB-CG1 3.81Å
344	M	95	Very high	94.2	Very high	27 Å²	27	51.9 Å²	51.9	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.5	172	-60.1	179.1	74.2	0	0	108.3	I266 I267 E268 L269 T342 N346	I266-M344 HydrophobicContact CD1-SD 4.02Å; I266-M344 HydrophobicContact CG2-CB 4.16Å; I266-M344 HydrophobicContact CG2-CG 4.02Å; I266-M344 HydrophobicContact CG2-SD 3.81Å; I267-M344 PolarHBondContact O-N 3.24Å; I267-M344 VanDerWaalsContact O-O 3.05Å; E268-M344 CarbonylContact C-O 3.58Å; E268-M344 WeakPolarHBondContact CA-O 3.4Å; L269-M344 PolarHBondContact N-O 3.03Å; T342-M344 HydrophobicContact CG2-CG 4.44Å; T342-M344 HydrophobicContact CG2-SD 4.47Å; M344-N346 VanDerWaalsContact C-N 3.31Å; M344-N346 WeakPolarHBondContact CB-O 3.38Å
345	Q	92.3	Very high	94.1	Very high	60 Å²	60	51.8 Å²	51.8	28%	0.28	26%	0.26	S	S	.	.	S	Bend	trans	-61.8	-46.7	169.5	-63.5	-173	-53.9	0	0	109.9	L269 D270 W280	L269-Q345 PolarHBondContact N-O 3.23Å; D270-Q345 VanDerWaalsContact CB-O 3.32Å; D270-Q345 WeakPolarHBondContact CB-O 3.5Å; D270-Q345 PolarHBondContact N-O 2.92Å; W280-Q345 HydrophobicContact CD2-CG 4.11Å; W280-Q345 HydrophobicContact CE3-CG 3.4Å; W280-Q345 VanDerWaalsContact CE3-CG 3.4Å; W280-Q345 HydrophobicContact CH2-CG 4.45Å; W280-Q345 HydrophobicContact CZ3-CG 3.6Å
346	N	91.1	Very high	94.1	Very high	43 Å²	43	51.9 Å²	51.9	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	-150.9	175.5	174.5	64.5	11.6	0	0	0	111.1	R275 M344 T348	R275-N346 PolarHBondContact NH2-ND2 2.65Å; M344-N346 VanDerWaalsContact C-N 3.31Å; M344-N346 WeakPolarHBondContact CB-O 3.38Å; N346-T348 VanDerWaalsContact C-N 3.26Å; N346-T348 PolarHBondContact ND2-OG1 2.87Å; N346-T348 PolarHBondContact O-N 2.9Å; N346-T348 PolarHBondContact OD1-N 3.18Å; N346-T348 VanDerWaalsContact OD1-N 3.14Å; N346-T348 PolarHBondContact OD1-OG1 3Å
347	R	89.3	Confident	94.1	Very high	123 Å²	123	51.2 Å²	51.2	46%	0.464	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	13.4	174.8	-77.5	171.1	-168.6	-89.1	-5.1	116.5	P263 I266 E268	P263-R347 PolarHBondContact O-NH1 3.4Å; I266-R347 HydrophobicContact CD1-CG 4.31Å; I266-R347 HydrophobicContact CG2-CG 4.42Å; E268-R347 HydrophobicContact CG-CG 4.08Å; E268-R347 WeakPolarHBondContact OE1-CD 3.5Å; E268-R347 IonicContact OE1-CZ 2.8Å; E268-R347 IonicContact OE1-NE 3.66Å; E268-R347 PolarHBondContact OE1-NE 2.88Å; E268-R347 IonicContact OE1-NH2 3.43Å; E268-R347 WeakPolarHBondContact OE2-CG 3.42Å; E268-R347 PolarHBondContact OE2-N 2.8Å; E268-R347 IonicContact OE2-NE 3.15Å
348	T	86.1	Confident	94.1	Very high	122 Å²	122	51.1 Å²	51.1	75%	0.748	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.6	-179.2	66.9	0	0	0	0	114.4	N346	N346-T348 VanDerWaalsContact C-N 3.26Å; N346-T348 PolarHBondContact ND2-OG1 2.87Å; N346-T348 PolarHBondContact O-N 2.9Å; N346-T348 PolarHBondContact OD1-N 3.18Å; N346-T348 VanDerWaalsContact OD1-N 3.14Å; N346-T348 PolarHBondContact OD1-OG1 3Å
349	G	79.8	Confident	94.1	Very high	42 Å²	42	47.7 Å²	47.7	43%	0.433	24%	0.243	S	C	.	.	S	Bend	trans	-78.1	165	175.6	0	0	0	0	0	113.5
350	L	85	Confident	94.1	Very high	173 Å²	173	44 Å²	44	91%	0.906	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-64	143.1	168	-66.3	175	0	0	0	110.2
351	F	90.7	Very high	93.9	Very high	52 Å²	52	47.3 Å²	47.3	23%	0.228	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-102.6	126	179.1	-175.5	-95.3	0	0	0	110.3	L261 S262 P263 I266 T342 F353	L261-F351 HydrophobicContact CB-CE1 4.31Å; L261-F351 HydrophobicContact CB-CZ 3.75Å; S262-F351 WeakPolarHBondContact O-CZ 3.38Å; P263-F351 HydrophobicContact CB-CE1 4.29Å; P263-F351 HydrophobicContact CB-CE2 4.34Å; P263-F351 HydrophobicContact CB-CZ 4.22Å; P263-F351 VanDerWaalsContact N-CZ 3.33Å; I266-F351 HydrophobicContact CD1-CD2 3.74Å; I266-F351 HydrophobicContact CD1-CE2 3.85Å; I266-F351 HydrophobicContact CG1-CD2 4.33Å; I266-F351 HydrophobicContact CG1-CE2 3.96Å; T342-F351 HydrophobicContact CG2-CE2 3.97Å; F351-F353 HydrophobicContact CE1-CD1 4.45Å
352	M	94.5	Very high	93.9	Very high	73 Å²	73	47 Å²	47	36%	0.36	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-90.3	145.2	173.8	-57	-176.3	-62.2	0	0	110.1	H212 L261 G354 N355	H212-M352 PolarHBondContact ND1-SD 3.31Å; H212-M352 VanDerWaalsContact ND1-SD 3.44Å; L261-M352 WeakPolarHBondContact CB-O 3.35Å; L261-M352 HydrophobicContact CD1-CB 4.39Å; L261-M352 VanDerWaalsContact CD1-O 3.28Å; L261-M352 WeakPolarHBondContact CD1-O 3.2Å; M352-G354 WeakPolarHBondContact CB-O 3.31Å; M352-N355 HydrophobicContact CE-CB 4.22Å
353	F	97.6	Very high	93.9	Very high	102 Å²	102	50.4 Å²	50.4	45%	0.447	26%	0.259	S	S	.	.	S	Bend	trans	-88.6	-24.9	178.9	-65.8	-85.7	0	0	0	112.5	H212 N213 Q260 L261 F351	H212-F353 PolarHBondContact O-N 3.35Å; N213-F353 WeakPolarHBondContact O-CD2 3.31Å; Q260-F353 PolarHBondContact NE2-O 2.89Å; L261-F353 PolarHBondContact N-O 3.19Å; F351-F353 HydrophobicContact CE1-CD1 4.45Å
354	G	98.3	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.2	166.5	0	0	0	0	0	111.7	G211 H212 M258 A259 M352	G211-G354 VanDerWaalsContact O-CA 3.31Å; G211-G354 WeakPolarHBondContact O-CA 3.48Å; G211-G354 PolarHBondContact O-N 3.08Å; H212-G354 PolarHBondContact ND1-O 3.4Å; H212-G354 PolarHBondContact O-N 2.82Å; H212-G354 VanDerWaalsContact O-N 3.17Å; M258-G354 VanDerWaalsContact SD-C 3.51Å; A259-G354 WeakPolarHBondContact O-CA 3.22Å; M352-G354 WeakPolarHBondContact CB-O 3.31Å
355	N	97.9	Very high	94.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162.8	162.9	-159.7	-0.4	0	0	0	111.1	K86 H212 M258 A259 L261 S284 M352	K86-N355 PolarHBondContact NZ-OD1 2.86Å; H212-N355 PolarHBondContact CE1-OD1 2.79Å; M258-N355 VanDerWaalsContact SD-CA 3.55Å; M258-N355 PolarHBondContact SD-N 3.35Å; A259-N355 PolarHBondContact N-O 3.25Å; A259-N355 PolarHBondContact O-N 3.17Å; L261-N355 HydrophobicContact CD1-CB 3.65Å; L261-N355 HydrophobicContact CD2-CB 4.33Å; L261-N355 HydrophobicContact CG-CB 4Å; S284-N355 VanDerWaalsContact C-ND2 3.3Å; S284-N355 PolarHBondContact O-ND2 3.26Å; M352-N355 HydrophobicContact CE-CB 4.22Å
356	H	98.4	Very high	94.4	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.014	25%	0.248	C	C	.	.			trans	-140	167.9	-177.2	66.4	101.7	0	0	0	108.8	T85 K86 D208 H212 H256 G257 P285 M365	T85-H356 PolarHBondContact O-ND1 2.73Å; K86-H356 WeakPolarHBondContact CD-CE1 3.49Å; K86-H356 VanDerWaalsContact CE-O 3.3Å; K86-H356 WeakPolarHBondContact CE-O 3.36Å; K86-H356 PolarHBondContact NZ-O 3.42Å; D208-H356 IonicContact OD2-CD2 2.76Å; H212-H356 AromaticContact CE1-CD2 3.53Å; H212-H356 AromaticContact CE1-NE2 3.8Å; H212-H356 AromaticContact NE2-CD2 3.38Å; H212-H356 PolarHBondContact NE2-CD2 3.05Å; H212-H356 AromaticContact NE2-NE2 3.34Å; H212-H356 PolarHBondContact NE2-NE2 3.12Å; H256-H356 AromaticContact CD2-CE1 3.94Å; H256-H356 AromaticContact CD2-ND1 3.42Å; H256-H356 PolarHBondContact CD2-ND1 3.02Å; H256-H356 AromaticContact CE1-CD2 3.93Å; H256-H356 AromaticContact CE1-CE1 3.27Å; H256-H356 PolarHBondContact CE1-CE1 2.89Å; H256-H356 AromaticContact CE1-CG 3.47Å; H256-H356 VanDerWaalsContact CE1-CG 3.47Å; H256-H356 AromaticContact CE1-ND1 3.04Å; H256-H356 PolarHBondContact CE1-ND1 3.42Å; H256-H356 AromaticContact CE1-NE2 3.92Å; H256-H356 AromaticContact CG-ND1 3.61Å; H256-H356 AromaticContact ND1-CG 3.55Å; H256-H356 AromaticContact ND1-ND1 3.36Å; H256-H356 PolarHBondContact ND1-ND1 2.96Å; H256-H356 AromaticContact NE2-CE1 3.1Å; H256-H356 PolarHBondContact NE2-CE1 3.42Å; H256-H356 AromaticContact NE2-CG 3.9Å; H256-H356 AromaticContact NE2-ND1 3Å; H256-H356 PolarHBondContact NE2-ND1 2.98Å; G257-H356 WeakPolarHBondContact O-CB 3.21Å; P285-H356 WeakPolarHBondContact CD-O 3.44Å; H356-M365 HydrophobicContact CB-CE 4.24Å; H356-M365 HydrophobicContact CB-SD 4.06Å
357	G	98.1	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.			trans	118.6	-13	-175.4	0	0	0	0	0	114.3	T85 V286	T85-G357 PolarHBondContact N-O 2.91Å; T85-G357 WeakPolarHBondContact O-CA 3.46Å; T85-G357 PolarHBondContact O-N 3.1Å; T85-G357 VanDerWaalsContact O-N 3.16Å; T85-G357 WeakPolarHBondContact OG1-CA 3.2Å; T85-G357 PolarHBondContact OG1-N 3.25Å; V286-G357 WeakPolarHBondContact CG2-O 3.4Å
358	Y	98.1	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-62	171	175.6	-51.6	-90.8	0	0	0	112.7	T85 A259 L261 P285 A337 K338 G340 W341 N360 L362 M365	T85-Y358 WeakPolarHBondContact CG2-O 3.25Å; T85-Y358 PolarHBondContact OG1-N 3.07Å; T85-Y358 PolarHBondContact OG1-O 3.32Å; A259-Y358 HydrophobicContact CB-CD2 4.31Å; A259-Y358 HydrophobicContact CB-CE2 3.83Å; L261-Y358 WeakPolarHBondContact CD2-OH 3.24Å; P285-Y358 HydrophobicContact CB-CD1 3.65Å; P285-Y358 HydrophobicContact CB-CD2 4.44Å; P285-Y358 HydrophobicContact CB-CE1 3.31Å; P285-Y358 HydrophobicContact CB-CE2 4.15Å; P285-Y358 HydrophobicContact CB-CG 4.22Å; P285-Y358 HydrophobicContact CG-CD1 3.65Å; P285-Y358 HydrophobicContact CG-CD2 3.72Å; P285-Y358 HydrophobicContact CG-CE1 3.68Å; P285-Y358 HydrophobicContact CG-CE2 3.73Å; P285-Y358 HydrophobicContact CG-CG 3.68Å; A337-Y358 HydrophobicContact CB-CE1 4.48Å; A337-Y358 WeakPolarHBondContact O-CD1 3.36Å; K338-Y358 WeakPolarHBondContact O-CE1 3.38Å; G340-Y358 PolarHBondContact N-OH 3.37Å; W341-Y358 WeakPolarHBondContact O-CE1 3.48Å; W341-Y358 PolarHBondContact O-OH 3.15Å; W341-Y358 VanDerWaalsContact O-OH 3.1Å; Y358-N360 PolarHBondContact O-N 2.75Å; Y358-L362 HydrophobicContact CG-CD1 4.36Å; Y358-M365 HydrophobicContact CD2-CE 3.89Å; Y358-M365 HydrophobicContact CD2-SD 3.66Å; Y358-M365 HydrophobicContact CE2-CE 4.44Å; Y358-M365 HydrophobicContact CG-SD 4.38Å
359	N	97	Very high	95.8	Very high	34 Å²	34	34.5 Å²	34.5	18%	0.182	18%	0.182	C	C	.	.			trans	-30.9	120.7	165.4	-169.3	-42.4	0	0	0	114.1	F322 E336 T361 L362	F322-N359 WeakPolarHBondContact CZ-ND2 3.46Å; E336-N359 WeakPolarHBondContact OE1-CB 3.46Å; E336-N359 PolarHBondContact OE1-N 2.85Å; N359-T361 PolarHBondContact O-N 2.77Å; N359-T361 WeakPolarHBondContact OD1-CB 3.49Å; N359-T361 WeakPolarHBondContact OD1-CG2 3.27Å; N359-T361 PolarHBondContact OD1-N 3.04Å; N359-T361 PolarHBondContact OD1-OG1 3.36Å; N359-L362 HydrophobicContact CB-CD1 4.07Å; N359-L362 HydrophobicContact CB-CG 4.18Å; N359-L362 VanDerWaalsContact O-CB 3.31Å; N359-L362 WeakPolarHBondContact O-CB 3.19Å; N359-L362 WeakPolarHBondContact O-CG 3.45Å; N359-L362 PolarHBondContact O-N 2.86Å; N359-L362 VanDerWaalsContact O-N 3.12Å
360	N	96.8	Very high	96.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15	-176.8	62.2	-33.5	0	0	0	114.5	N81 T85 Y358 L362	N81-N360 WeakPolarHBondContact O-CB 3.21Å; N81-N360 PolarHBondContact O-ND2 2.77Å; T85-N360 HydrophobicContact CG2-CB 3.61Å; Y358-N360 PolarHBondContact O-N 2.75Å; N360-L362 VanDerWaalsContact C-N 3.28Å; N360-L362 PolarHBondContact O-N 2.71Å
361	T	94.9	Very high	97.4	Very high	73 Å²	73	24.3 Å²	24.3	45%	0.448	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.1	172.2	67.5	0	0	0	0	113.3	N359 Q366	N359-T361 PolarHBondContact O-N 2.77Å; N359-T361 WeakPolarHBondContact OD1-CB 3.49Å; N359-T361 WeakPolarHBondContact OD1-CG2 3.27Å; N359-T361 PolarHBondContact OD1-N 3.04Å; N359-T361 PolarHBondContact OD1-OG1 3.36Å; T361-Q366 PolarHBondContact O-NE2 3.12Å
362	L	97.2	Very high	97.7	Very high	46 Å²	46	22 Å²	22	24%	0.241	11%	0.108	C	C	.	.	S	Bend	trans	-66.7	134.3	-178.8	-68.5	169.4	0	0	0	110.9	E339 Y358 N359 N360 D364 M365	E339-L362 HydrophobicContact CB-CD1 3.94Å; E339-L362 HydrophobicContact CB-CD2 4.44Å; E339-L362 HydrophobicContact CG-CD1 4.16Å; Y358-L362 HydrophobicContact CG-CD1 4.36Å; N359-L362 HydrophobicContact CB-CD1 4.07Å; N359-L362 HydrophobicContact CB-CG 4.18Å; N359-L362 VanDerWaalsContact O-CB 3.31Å; N359-L362 WeakPolarHBondContact O-CB 3.19Å; N359-L362 WeakPolarHBondContact O-CG 3.45Å; N359-L362 PolarHBondContact O-N 2.86Å; N359-L362 VanDerWaalsContact O-N 3.12Å; N360-L362 VanDerWaalsContact C-N 3.28Å; N360-L362 PolarHBondContact O-N 2.71Å; L362-D364 VanDerWaalsContact C-N 3.27Å; L362-D364 PolarHBondContact O-N 2.92Å; L362-M365 HydrophobicContact CB-CB 4.41Å; L362-M365 HydrophobicContact CB-CG 4.04Å; L362-M365 HydrophobicContact CD1-CG 4.48Å; L362-M365 PolarHBondContact O-N 2.82Å
363	R	96.7	Very high	97.9	Very high	80 Å²	80	19.1 Å²	19.1	30%	0.302	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-67.3	-29.1	-175.3	-170.6	53.9	173.1	-174.5	5.1	112.3	W55 E77 M365 Q366	W55-R363 HydrophobicContact CZ2-CG 3.75Å; W55-R363 PolarHBondContact NE1-O 2.86Å; E77-R363 VanDerWaalsContact O-CZ 3.27Å; E77-R363 PolarHBondContact O-NH1 2.91Å; E77-R363 PolarHBondContact O-NH2 3.37Å; R363-M365 VanDerWaalsContact C-N 3.26Å; R363-M365 PolarHBondContact O-N 2.79Å; R363-Q366 VanDerWaalsContact CD-OE1 3.25Å; R363-Q366 PolarHBondContact O-N 3.12Å
364	D	98.3	Very high	97.9	Very high	34 Å²	34	17.3 Å²	17.3	18%	0.182	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-72.1	-17.6	175.1	-85.8	14.1	0	0	0	113.1	R54 G257 M258 A259 L362	R54-D364 WeakPolarHBondContact CD-O 2.93Å; R54-D364 WeakPolarHBondContact CG-O 3.3Å; R54-D364 IonicContact CZ-OD1 2.73Å; R54-D364 IonicContact CZ-OD2 2.65Å; R54-D364 IonicContact NH1-OD1 3.51Å; R54-D364 PolarHBondContact NH1-OD1 3.11Å; R54-D364 VanDerWaalsContact NH1-OD1 3.15Å; R54-D364 IonicContact NH1-OD2 3.85Å; R54-D364 PolarHBondContact NH1-OD2 3.08Å; R54-D364 IonicContact NH2-OD1 2.64Å; G257-D364 CarbonylContact C-O 3.5Å; G257-D364 VanDerWaalsContact CA-O 3.31Å; G257-D364 WeakPolarHBondContact CA-O 3.36Å; M258-D364 PolarHBondContact N-O 3.16Å; A259-D364 HydrophobicContact CB-CB 4.16Å; L362-D364 VanDerWaalsContact C-N 3.27Å; L362-D364 PolarHBondContact O-N 2.92Å
365	M	98.6	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-87.5	-3.6	177.6	-65.9	-61.5	92.7	0	0	114.4	N81 T85 H256 G257 A259 H356 Y358 L362 R363	N81-M365 PolarHBondContact ND2-O 3.46Å; T85-M365 HydrophobicContact CG2-CB 4.06Å; T85-M365 HydrophobicContact CG2-CG 4.47Å; T85-M365 PolarHBondContact OG1-SD 2.87Å; H256-M365 WeakPolarHBondContact CA-O 2.92Å; G257-M365 VanDerWaalsContact N-C 3.31Å; G257-M365 PolarHBondContact N-O 3.23Å; A259-M365 HydrophobicContact CB-CE 3.62Å; H356-M365 HydrophobicContact CB-CE 4.24Å; H356-M365 HydrophobicContact CB-SD 4.06Å; Y358-M365 HydrophobicContact CD2-CE 3.89Å; Y358-M365 HydrophobicContact CD2-SD 3.66Å; Y358-M365 HydrophobicContact CE2-CE 4.44Å; Y358-M365 HydrophobicContact CG-SD 4.38Å; L362-M365 HydrophobicContact CB-CB 4.41Å; L362-M365 HydrophobicContact CB-CG 4.04Å; L362-M365 HydrophobicContact CD1-CG 4.48Å; L362-M365 PolarHBondContact O-N 2.82Å; R363-M365 VanDerWaalsContact C-N 3.26Å; R363-M365 PolarHBondContact O-N 2.79Å
366	Q	98.1	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-86.7	131.6	-169.9	-68.3	174.1	21.5	0	0	112.6	W55 T361 R363	W55-Q366 PolarHBondContact N-O 3.35Å; T361-Q366 PolarHBondContact O-NE2 3.12Å; R363-Q366 VanDerWaalsContact CD-OE1 3.25Å; R363-Q366 PolarHBondContact O-N 3.12Å
367	P	98.4	Very high	97.9	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-75.8	159.6	178.3	31.7	-34.8	0	0	0	112.2	V79 N81 S254	V79-P367 HydrophobicContact CB-CG 3.76Å; V79-P367 HydrophobicContact CG1-CG 3.66Å; N81-P367 HydrophobicContact CB-CG 4.26Å; S254-P367 VanDerWaalsContact C-CB 3.45Å; S254-P367 VanDerWaalsContact O-CB 3.25Å; S254-P367 WeakPolarHBondContact O-CB 3.45Å; S254-P367 WeakPolarHBondContact OG-CA 3.33Å; S254-P367 WeakPolarHBondContact OG-CB 3.06Å
368	V	98.5	Very high	97.9	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.024	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-69.4	151.2	163.7	68	0	0	0	0	110.8	F53 I58 F66 T253 S254	F53-V368 HydrophobicContact CB-CG1 4.02Å; F53-V368 HydrophobicContact CD1-CB 3.88Å; F53-V368 HydrophobicContact CD1-CG1 3.59Å; F53-V368 HydrophobicContact CE1-CB 4.45Å; F53-V368 HydrophobicContact CE1-CG1 4.38Å; F53-V368 HydrophobicContact CG-CG1 4.01Å; F53-V368 PolarHBondContact O-N 2.9Å; I58-V368 HydrophobicContact CD1-CG2 4.07Å; I58-V368 HydrophobicContact CG2-CG2 3.95Å; F66-V368 HydrophobicContact CE1-CG1 4.45Å; F66-V368 HydrophobicContact CE1-CG2 4.37Å; T253-V368 WeakPolarHBondContact CA-O 3.4Å; T253-V368 PolarHBondContact OG1-O 3.33Å; T253-V368 VanDerWaalsContact OG1-O 3.05Å; S254-V368 PolarHBondContact N-O 2.76Å
369	F	98.8	Very high	97.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	121.7	163.8	-176.4	-77	0	0	0	111.6	V74 V76 V79 V251 A371 M385 L390 L415	V74-F369 HydrophobicContact CG2-CE1 4.41Å; V76-F369 HydrophobicContact CB-CB 4.28Å; V76-F369 HydrophobicContact CB-CD1 4.15Å; V76-F369 HydrophobicContact CB-CG 4.49Å; V76-F369 HydrophobicContact CG2-CD1 3.56Å; V76-F369 HydrophobicContact CG2-CE1 4.02Å; V76-F369 HydrophobicContact CG2-CG 4.24Å; V76-F369 PolarHBondContact N-O 3.05Å; V76-F369 VanDerWaalsContact N-O 3.1Å; V79-F369 HydrophobicContact CG2-CB 3.61Å; V251-F369 HydrophobicContact CG1-CD2 4.19Å; V251-F369 HydrophobicContact CG1-CE2 3.48Å; V251-F369 VanDerWaalsContact CG1-CE2 3.48Å; V251-F369 HydrophobicContact CG1-CZ 3.79Å; F369-A371 HydrophobicContact CE1-CB 4.13Å; F369-A371 HydrophobicContact CZ-CB 4.38Å; F369-M385 HydrophobicContact CD1-SD 4.3Å; F369-M385 HydrophobicContact CD2-SD 3.96Å; F369-M385 HydrophobicContact CE1-SD 4.34Å; F369-M385 HydrophobicContact CE2-CE 4.21Å; F369-M385 HydrophobicContact CE2-SD 3.99Å; F369-M385 HydrophobicContact CG-SD 4.11Å; F369-M385 HydrophobicContact CZ-SD 4.18Å; F369-L390 HydrophobicContact CE2-CD1 3.83Å; F369-L390 HydrophobicContact CE2-CD2 4.35Å; F369-L390 HydrophobicContact CZ-CD1 4.26Å; F369-L415 HydrophobicContact CE1-CD1 4.17Å; F369-L415 HydrophobicContact CZ-CD1 4.44Å
370	V	98.9	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148	169.6	-59.5	0	0	0	0	110	F66 I69 M70 V74 K75 V252	F66-V370 HydrophobicContact CD1-CG2 3.88Å; F66-V370 HydrophobicContact CE1-CG2 4.31Å; I69-V370 HydrophobicContact CB-CG2 4.21Å; I69-V370 HydrophobicContact CG2-CB 3.86Å; I69-V370 HydrophobicContact CG2-CG2 3.67Å; M70-V370 HydrophobicContact CG-CB 4.37Å; M70-V370 HydrophobicContact CG-CG1 3.58Å; M70-V370 HydrophobicContact SD-CG1 4.34Å; V74-V370 CarbonylContact O-C 3.59Å; V74-V370 VanDerWaalsContact O-CA 3.3Å; V74-V370 WeakPolarHBondContact O-CA 3.44Å; K75-V370 HydrophobicContact CB-CG1 4.41Å; K75-V370 HydrophobicContact CG-CG1 4.32Å; V252-V370 HydrophobicContact CB-CG2 3.91Å; V252-V370 PolarHBondContact N-O 3.34Å; V252-V370 PolarHBondContact O-N 3.19Å
371	A	98.9	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.1	177.1	0	0	0	0	0	112.5	G73 V74 L250 V251 F369 F376	G73-A371 CarbonylContact C-O 3.41Å; G73-A371 VanDerWaalsContact CA-O 3.3Å; G73-A371 WeakPolarHBondContact CA-O 3.35Å; V74-A371 HydrophobicContact CG2-CB 3.82Å; V74-A371 PolarHBondContact N-O 3.32Å; V74-A371 PolarHBondContact O-N 3.13Å; L250-A371 CarbonylContact O-C 3.47Å; L250-A371 WeakPolarHBondContact O-CA 3.4Å; L250-A371 VanDerWaalsContact O-CB 3.3Å; L250-A371 WeakPolarHBondContact O-CB 3.33Å; V251-A371 HydrophobicContact CB-CB 4.33Å; V251-A371 HydrophobicContact CG2-CB 3.91Å; F369-A371 HydrophobicContact CE1-CB 4.13Å; F369-A371 HydrophobicContact CZ-CB 4.38Å; A371-F376 HydrophobicContact CB-CD1 4.2Å; A371-F376 HydrophobicContact CB-CD2 4.08Å; A371-F376 HydrophobicContact CB-CE1 3.88Å; A371-F376 HydrophobicContact CB-CE2 3.72Å; A371-F376 HydrophobicContact CB-CG 4.3Å; A371-F376 HydrophobicContact CB-CZ 3.62Å
372	R	98.6	Very high	98.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.3	174.7	66.5	145.5	-66	-69.5	7.3	111.9	I69 E72 Y245 E246 V248 N249 L250	I69-R372 HydrophobicContact CG1-CG 4.33Å; I69-R372 HydrophobicContact CG2-CB 4.1Å; I69-R372 HydrophobicContact CG2-CG 4.07Å; E72-R372 IonicContact OE2-NE 3.47Å; Y245-R372 VanDerWaalsContact O-CZ 3.23Å; Y245-R372 PolarHBondContact O-NH1 3.04Å; Y245-R372 PolarHBondContact O-NH2 3.38Å; E246-R372 IonicContact OE2-NH2 3.81Å; E246-R372 PolarHBondContact OE2-NH2 3.47Å; V248-R372 PolarHBondContact O-NH1 3.36Å; V248-R372 VanDerWaalsContact O-NH1 3.08Å; N249-R372 CarbonylContact C-O 3.27Å; N249-R372 WeakPolarHBondContact CA-O 3.44Å; L250-R372 HydrophobicContact CB-CG 4.29Å; L250-R372 PolarHBondContact N-O 2.77Å; L250-R372 PolarHBondContact O-N 3.27Å
373	G	98.1	Very high	98.1	Very high	13 Å²	13	39.4 Å²	39.4	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	130	178.7	174.7	0	0	0	0	0	112.9	A375 F376	G373-A375 VanDerWaalsContact C-N 3.27Å; G373-A375 PolarHBondContact O-N 3.22Å; G373-A375 VanDerWaalsContact O-N 3.14Å; G373-F376 PolarHBondContact O-N 3.39Å
374	P	97.2	Very high	98.2	Very high	64 Å²	64	38.7 Å²	38.7	42%	0.416	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.2	-166.7	21.9	-33.8	0	0	0	115.1	N249	N249-P374 VanDerWaalsContact OD1-CD 3.29Å; N249-P374 WeakPolarHBondContact OD1-CD 3.44Å
375	A	97.8	Very high	98.2	Very high	20 Å²	20	37.5 Å²	37.5	17%	0.165	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.7	178	0	0	0	0	0	113.5	N249 G373 I397 L416 S417	N249-A375 VanDerWaalsContact OD1-CB 3.23Å; N249-A375 WeakPolarHBondContact OD1-CB 3.35Å; N249-A375 PolarHBondContact OD1-N 2.95Å; G373-A375 VanDerWaalsContact C-N 3.27Å; G373-A375 PolarHBondContact O-N 3.22Å; G373-A375 VanDerWaalsContact O-N 3.14Å; A375-I397 HydrophobicContact CB-CD1 4.4Å; A375-I397 HydrophobicContact CB-CG1 3.96Å; A375-I397 HydrophobicContact CB-CG2 4.32Å; A375-L416 HydrophobicContact CB-CD2 4.11Å; A375-L416 WeakPolarHBondContact O-CA 3.48Å; A375-L416 WeakPolarHBondContact O-CD2 3.43Å; A375-S417 PolarHBondContact O-N 3.32Å
376	F	98.6	Very high	98.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-87.5	157.3	-173.1	-71	-70.2	0	0	0	112.2	V74 N249 V251 A371 G373 L393 I397 L415 S417	V74-F376 HydrophobicContact CG1-CB 4.28Å; V74-F376 HydrophobicContact CG1-CD1 4.43Å; V74-F376 HydrophobicContact CG2-CD1 3.87Å; V74-F376 HydrophobicContact CG2-CE1 4.36Å; V74-F376 HydrophobicContact CG2-CG 4.45Å; N249-F376 HydrophobicContact CB-CD2 4.43Å; N249-F376 HydrophobicContact CB-CE2 4.05Å; V251-F376 HydrophobicContact CG2-CE2 4.08Å; V251-F376 HydrophobicContact CG2-CZ 3.73Å; A371-F376 HydrophobicContact CB-CD1 4.2Å; A371-F376 HydrophobicContact CB-CD2 4.08Å; A371-F376 HydrophobicContact CB-CE1 3.88Å; A371-F376 HydrophobicContact CB-CE2 3.72Å; A371-F376 HydrophobicContact CB-CG 4.3Å; A371-F376 HydrophobicContact CB-CZ 3.62Å; G373-F376 PolarHBondContact O-N 3.39Å; F376-L393 HydrophobicContact CE1-CD2 4.3Å; F376-I397 HydrophobicContact CE1-CD1 4.19Å; F376-I397 HydrophobicContact CE2-CD1 3.97Å; F376-I397 HydrophobicContact CZ-CD1 3.57Å; F376-L415 WeakPolarHBondContact CA-O 3.05Å; F376-L415 HydrophobicContact CD1-CB 4.33Å; F376-L415 HydrophobicContact CE1-CB 4.49Å; F376-S417 PolarHBondContact O-OG 2.93Å
377	R	98.2	Very high	98.2	Very high	85 Å²	85	40.8 Å²	40.8	32%	0.321	22%	0.22	S	C	.	.			trans	-70.2	162.5	163.8	-64.1	-173.5	-176	172.7	0.6	110.3	G73 V74 Y380 D414 L415 L416	G73-R377 CarbonylContact C-O 3.48Å; G73-R377 WeakPolarHBondContact CA-O 3.47Å; G73-R377 VanDerWaalsContact O-O 3.14Å; V74-R377 HydrophobicContact CG1-CB 4.01Å; V74-R377 WeakPolarHBondContact CG1-O 3.39Å; R377-Y380 HydrophobicContact CB-CG 4.32Å; R377-D414 WeakPolarHBondContact CD-O 3.22Å; R377-D414 PolarHBondContact NE-O 3.03Å; R377-D414 PolarHBondContact NH1-O 2.99Å; R377-L415 PolarHBondContact N-O 3.31Å; R377-L416 WeakPolarHBondContact CG-O 3.36Å; R377-L416 PolarHBondContact NE-O 2.64Å
378	Q	97.3	Very high	98.2	Very high	158 Å²	158	40.7 Å²	40.7	74%	0.738	22%	0.219	S	C	*	.	S	Bend	trans	-108.5	144.9	174.5	-59	-177	-15.7	0	0	110.1	G73 Y380	G73-Q378 CarbonylContact O-C 3.46Å; G73-Q378 VanDerWaalsContact O-C 3.27Å; G73-Q378 WeakPolarHBondContact O-CA 3.49Å; Q378-Y380 PolarHBondContact O-N 3.05Å
379	N	96.9	Very high	98.2	Very high	112 Å²	112	40.5 Å²	40.5	60%	0.599	22%	0.219	S	C	*	.	S	Bend	trans	45	45.1	-177.5	-170.3	26.7	0	0	0	113.7	D71 G73	D71-N379 PolarHBondContact O-N 3.13Å; G73-N379 PolarHBondContact O-N 2.95Å
380	Y	98.3	Very high	98.2	Very high	68 Å²	68	40.5 Å²	40.5	27%	0.267	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	-177.8	-179.7	-106	0	0	0	112.1	G73 V74 K75 R377 Q378 K382 D414 L415	G73-Y380 PolarHBondContact O-N 3.3Å; V74-Y380 CarbonylContact C-O 3.46Å; V74-Y380 VanDerWaalsContact CA-O 3.22Å; V74-Y380 WeakPolarHBondContact CA-O 3.33Å; V74-Y380 HydrophobicContact CG1-CD1 4.22Å; K75-Y380 PolarHBondContact N-O 2.98Å; R377-Y380 HydrophobicContact CB-CG 4.32Å; Q378-Y380 PolarHBondContact O-N 3.05Å; Y380-K382 HydrophobicContact CE1-CB 4.03Å; Y380-D414 HydrophobicContact CE1-CB 4.35Å; Y380-D414 WeakPolarHBondContact CE1-O 3.4Å; Y380-D414 PolarHBondContact OH-OD2 2.9Å; Y380-D414 VanDerWaalsContact OH-OD2 3.04Å; Y380-L415 HydrophobicContact CD1-CD2 4.26Å; Y380-L415 HydrophobicContact CE1-CD2 4.24Å
381	I	98.4	Very high	98.2	Very high	86 Å²	86	40.6 Å²	40.6	44%	0.441	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	178.5	-56.7	178.9	0	0	0	108.8	K75 E77	K75-I381 HydrophobicContact CD-CG2 4.42Å; E77-I381 VanDerWaalsContact CD-CG2 3.49Å; E77-I381 HydrophobicContact CG-CG2 3.39Å
382	K	98.2	Very high	98.2	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	174.9	177.1	175.9	-176.3	58	0	109.8	K75 V76 E77 Y380 S384 N411 D414 L415	K75-K382 PolarHBondContact O-N 3.31Å; V76-K382 CarbonylContact C-O 3.51Å; V76-K382 WeakPolarHBondContact CA-O 3.33Å; V76-K382 HydrophobicContact CG1-CB 4.5Å; V76-K382 HydrophobicContact CG1-CG 4.4Å; V76-K382 HydrophobicContact CG2-CB 4.16Å; V76-K382 HydrophobicContact CG2-CD 4.17Å; V76-K382 HydrophobicContact CG2-CG 4.46Å; E77-K382 PolarHBondContact N-O 2.94Å; Y380-K382 HydrophobicContact CE1-CB 4.03Å; K382-S384 WeakPolarHBondContact CE-O 3.43Å; K382-N411 WeakPolarHBondContact CE-O 3.48Å; K382-N411 PolarHBondContact NZ-O 3.37Å; K382-D414 WeakPolarHBondContact CE-OD1 3.49Å; K382-D414 IonicContact NZ-OD1 2.77Å; K382-D414 PolarHBondContact NZ-OD1 3.2Å; K382-D414 IonicContact NZ-OD2 3.52Å; K382-D414 PolarHBondContact NZ-OD2 3.28Å; K382-L415 HydrophobicContact CB-CD2 3.79Å; K382-L415 HydrophobicContact CD-CD1 4.27Å; K382-L415 HydrophobicContact CD-CD2 3.5Å; K382-L415 HydrophobicContact CD-CG 3.79Å; K382-L415 HydrophobicContact CG-CD2 4.31Å
383	A	98.3	Very high	98.2	Very high	70 Å²	70	40.8 Å²	40.8	58%	0.579	22%	0.22	S	C	*	.	S	Bend	trans	-61.1	-51.2	-176.9	0	0	0	0	0	112.7	F78	F78-A383 WeakPolarHBondContact CB-O 3.26Å; F78-A383 PolarHBondContact N-O 2.97Å; F78-A383 VanDerWaalsContact N-O 3.09Å
384	S	98.1	Very high	98.3	Very high	66 Å²	66	40.1 Å²	40.1	46%	0.462	21%	0.214	S	C	.	.			trans	-149.7	156.3	179.6	62.3	0	0	0	0	114.4	F78 K382	F78-S384 CarbonylContact O-C 3.59Å; F78-S384 WeakPolarHBondContact O-CA 2.95Å; K382-S384 WeakPolarHBondContact CE-O 3.43Å
385	M	98	Very high	98.3	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.4	165.6	76.9	-179.4	-86.1	0	0	110.4	V76 F78 V79 E80 F369 L390 V412	V76-M385 HydrophobicContact CB-CG 4.43Å; V76-M385 HydrophobicContact CB-SD 4.4Å; V76-M385 HydrophobicContact CG1-CB 4.16Å; V76-M385 HydrophobicContact CG1-CG 3.94Å; V76-M385 HydrophobicContact CG2-CG 4.25Å; V76-M385 HydrophobicContact CG2-SD 3.77Å; F78-M385 PolarHBondContact O-N 2.92Å; V79-M385 WeakPolarHBondContact CA-O 3.45Å; V79-M385 HydrophobicContact CG1-CG 4.24Å; V79-M385 HydrophobicContact CG2-CG 4.2Å; E80-M385 PolarHBondContact N-O 3.37Å; F369-M385 HydrophobicContact CD1-SD 4.3Å; F369-M385 HydrophobicContact CD2-SD 3.96Å; F369-M385 HydrophobicContact CE1-SD 4.34Å; F369-M385 HydrophobicContact CE2-CE 4.21Å; F369-M385 HydrophobicContact CE2-SD 3.99Å; F369-M385 HydrophobicContact CG-SD 4.11Å; F369-M385 HydrophobicContact CZ-SD 4.18Å; M385-L390 HydrophobicContact CE-CB 4.07Å; M385-V412 HydrophobicContact CB-CG1 3.9Å; M385-V412 HydrophobicContact CE-CG1 4.23Å
386	R	98.4	Very high	98.4	Very high	60 Å²	60	40.7 Å²	40.7	23%	0.226	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.4	166.2	-49	174.9	-60.6	155.1	10.2	109.8	E80 Y99 V388 D389 N406 N411	E80-R386 HydrophobicContact CB-CB 4.43Å; E80-R386 HydrophobicContact CB-CG 4.24Å; E80-R386 CarbonylContact O-C 3.39Å; E80-R386 WeakPolarHBondContact O-CA 3.16Å; Y99-R386 PolarHBondContact OH-NH1 3.22Å; R386-V388 HydrophobicContact CB-CG2 3.9Å; R386-V388 PolarHBondContact O-N 2.93Å; R386-D389 WeakPolarHBondContact CB-OD2 3.46Å; R386-D389 IonicContact CZ-OD1 2.68Å; R386-D389 IonicContact CZ-OD2 2.77Å; R386-D389 PolarHBondContact N-OD2 3.4Å; R386-D389 IonicContact NE-OD1 3.18Å; R386-D389 IonicContact NE-OD2 3.57Å; R386-D389 PolarHBondContact NE-OD2 2.71Å; R386-D389 IonicContact NH2-OD1 2.84Å; R386-D389 PolarHBondContact NH2-OD1 3.38Å; R386-D389 IonicContact NH2-OD2 2.71Å; R386-D389 VanDerWaalsContact O-CB 3.32Å; R386-D389 WeakPolarHBondContact O-CB 3.5Å; R386-D389 PolarHBondContact O-N 3.12Å; R386-N406 PolarHBondContact NH2-O 3.4Å; R386-N411 PolarHBondContact NH2-ND2 3.43Å
387	S	98.2	Very high	98.3	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.063	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.6	-34.5	179.9	65.2	0	0	0	0	112.3	E80 D389 L390	E80-S387 PolarHBondContact O-N 2.7Å; S387-D389 PolarHBondContact O-N 2.61Å; S387-L390 WeakPolarHBondContact O-CB 3.46Å; S387-L390 PolarHBondContact O-N 3Å
388	V	98.7	Very high	98.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.3	-25.5	174.1	-65.6	0	0	0	0	113.4	I82 Y99 R386 L390 P392 G407	I82-V388 HydrophobicContact CG2-CG1 3.83Å; Y99-V388 HydrophobicContact CD1-CG1 4.08Å; Y99-V388 HydrophobicContact CE1-CG1 3.98Å; Y99-V388 HydrophobicContact CE1-CG2 4.48Å; R386-V388 HydrophobicContact CB-CG2 3.9Å; R386-V388 PolarHBondContact O-N 2.93Å; V388-L390 PolarHBondContact O-N 2.83Å; V388-P392 VanDerWaalsContact O-CD 3.32Å; V388-P392 WeakPolarHBondContact O-CD 3.21Å; V388-G407 WeakPolarHBondContact O-CA 3.45Å
389	D	98.8	Very high	98.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-72.3	-11.7	176.1	-60.3	-37.1	0	0	0	112.3	R386 S387 P392 L393 G407 S408 N411 V412	R386-D389 WeakPolarHBondContact CB-OD2 3.46Å; R386-D389 IonicContact CZ-OD1 2.68Å; R386-D389 IonicContact CZ-OD2 2.77Å; R386-D389 PolarHBondContact N-OD2 3.4Å; R386-D389 IonicContact NE-OD1 3.18Å; R386-D389 IonicContact NE-OD2 3.57Å; R386-D389 PolarHBondContact NE-OD2 2.71Å; R386-D389 IonicContact NH2-OD1 2.84Å; R386-D389 PolarHBondContact NH2-OD1 3.38Å; R386-D389 IonicContact NH2-OD2 2.71Å; R386-D389 VanDerWaalsContact O-CB 3.32Å; R386-D389 WeakPolarHBondContact O-CB 3.5Å; R386-D389 PolarHBondContact O-N 3.12Å; S387-D389 PolarHBondContact O-N 2.61Å; D389-P392 WeakPolarHBondContact O-CD 3.3Å; D389-P392 WeakPolarHBondContact O-CG 3.45Å; D389-L393 PolarHBondContact O-N 3.27Å; D389-G407 VanDerWaalsContact OD1-CA 3.24Å; D389-G407 WeakPolarHBondContact OD1-CA 3.46Å; D389-S408 PolarHBondContact OD1-N 2.73Å; D389-N411 HydrophobicContact CB-CB 4.45Å; D389-N411 PolarHBondContact OD1-ND2 3.08Å; D389-N411 WeakPolarHBondContact OD2-CB 3.34Å; D389-N411 PolarHBondContact OD2-ND2 3.33Å; D389-V412 HydrophobicContact CB-CG1 3.73Å; D389-V412 HydrophobicContact CB-CG2 4.18Å
390	L	98.8	Very high	98.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-41.6	177.2	-176.1	52.6	0	0	0	112.7	L47 M94 V251 F369 M385 S387 V388 L393 M394	L47-L390 HydrophobicContact CD1-CD2 4.12Å; M94-L390 HydrophobicContact CB-CD2 4.34Å; M94-L390 HydrophobicContact CG-CD2 4.19Å; M94-L390 HydrophobicContact SD-CD2 4.18Å; V251-L390 HydrophobicContact CG1-CD1 4.39Å; F369-L390 HydrophobicContact CE2-CD1 3.83Å; F369-L390 HydrophobicContact CE2-CD2 4.35Å; F369-L390 HydrophobicContact CZ-CD1 4.26Å; M385-L390 HydrophobicContact CE-CB 4.07Å; S387-L390 WeakPolarHBondContact O-CB 3.46Å; S387-L390 PolarHBondContact O-N 3Å; V388-L390 PolarHBondContact O-N 2.83Å; L390-L393 HydrophobicContact CD1-CD2 4.15Å; L390-L393 WeakPolarHBondContact O-CB 3.49Å; L390-L393 PolarHBondContact O-N 2.6Å; L390-M394 HydrophobicContact CD1-CG 3.88Å; L390-M394 HydrophobicContact CD1-SD 4.38Å; L390-M394 HydrophobicContact CG-CE 4.07Å; L390-M394 HydrophobicContact CG-CG 4.14Å; L390-M394 HydrophobicContact CG-SD 4.22Å; L390-M394 VanDerWaalsContact O-CG 3.3Å; L390-M394 WeakPolarHBondContact O-CG 3.31Å; L390-M394 PolarHBondContact O-N 3.36Å
391	Y	98.9	Very high	98.2	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-51.3	179.2	172.6	-97.7	0	0	0	113.9	V95 T96 L138 L393 M394 C395 P402 L403 N405	V95-Y391 VanDerWaalsContact O-CD2 3.28Å; V95-Y391 WeakPolarHBondContact O-CD2 3.3Å; V95-Y391 WeakPolarHBondContact O-CE2 3.39Å; T96-Y391 VanDerWaalsContact C-CG 3.43Å; T96-Y391 WeakPolarHBondContact O-CD1 3.23Å; L138-Y391 HydrophobicContact CB-CD2 4.15Å; L138-Y391 HydrophobicContact CB-CE2 3.95Å; L138-Y391 HydrophobicContact CD1-CD2 4.46Å; L138-Y391 HydrophobicContact CD1-CE2 3.96Å; L138-Y391 HydrophobicContact CG-CE2 4.45Å; Y391-L393 VanDerWaalsContact C-N 3.29Å; Y391-L393 PolarHBondContact O-N 2.92Å; Y391-M394 PolarHBondContact O-N 2.93Å; Y391-C395 VanDerWaalsContact CZ-SG 3.56Å; Y391-C395 PolarHBondContact O-N 2.74Å; Y391-C395 PolarHBondContact O-SG 3.13Å; Y391-P402 HydrophobicContact CD1-CB 4.45Å; Y391-P402 HydrophobicContact CE1-CB 3.83Å; Y391-L403 PolarHBondContact OH-N 3.03Å; Y391-L403 VanDerWaalsContact OH-N 3.15Å; Y391-N405 HydrophobicContact CD1-CB 3.98Å; Y391-N405 HydrophobicContact CE1-CB 4.18Å
392	P	98.8	Very high	98.2	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.045	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-28.1	177.8	25.8	-33.5	0	0	0	112.9	V388 D389 H396 L409	V388-P392 VanDerWaalsContact O-CD 3.32Å; V388-P392 WeakPolarHBondContact O-CD 3.21Å; D389-P392 WeakPolarHBondContact O-CD 3.3Å; D389-P392 WeakPolarHBondContact O-CG 3.45Å; P392-H396 WeakPolarHBondContact O-CB 3.48Å; P392-H396 PolarHBondContact O-N 2.95Å; P392-L409 HydrophobicContact CB-CB 4.31Å
393	L	98.9	Very high	98.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-48.7	170	175.9	64.1	0	0	0	111.7	F376 D389 L390 Y391 C395 H396 I397 L409 V412 L415 L416	F376-L393 HydrophobicContact CE1-CD2 4.3Å; D389-L393 PolarHBondContact O-N 3.27Å; L390-L393 HydrophobicContact CD1-CD2 4.15Å; L390-L393 WeakPolarHBondContact O-CB 3.49Å; L390-L393 PolarHBondContact O-N 2.6Å; Y391-L393 VanDerWaalsContact C-N 3.29Å; Y391-L393 PolarHBondContact O-N 2.92Å; L393-C395 VanDerWaalsContact C-N 3.34Å; L393-C395 PolarHBondContact O-N 2.71Å; L393-H396 WeakPolarHBondContact O-CB 3.36Å; L393-H396 PolarHBondContact O-N 3.06Å; L393-I397 HydrophobicContact CD1-CD1 4.24Å; L393-I397 HydrophobicContact CG-CD1 4.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.49Å; L393-I397 PolarHBondContact O-N 3.23Å; L393-L409 HydrophobicContact CD1-CD1 4.37Å; L393-V412 HydrophobicContact CB-CG2 3.89Å; L393-V412 HydrophobicContact CD1-CG2 4.45Å; L393-V412 HydrophobicContact CD2-CB 4.44Å; L393-V412 HydrophobicContact CD2-CG2 4.38Å; L393-V412 HydrophobicContact CG-CG2 4.48Å; L393-L415 HydrophobicContact CD2-CD1 3.95Å; L393-L416 HydrophobicContact CD1-CD1 3.95Å; L393-L416 HydrophobicContact CD1-CD2 3.73Å; L393-L416 HydrophobicContact CD1-CG 3.82Å
394	M	98.8	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-40	176.8	-66.1	-162.9	-68.8	0	0	111.9	L45 L47 M94 L138 F199 L390 Y391 H396 I397 L398	L45-M394 HydrophobicContact CD2-CB 3.55Å; L45-M394 HydrophobicContact CD2-CG 3.63Å; L45-M394 HydrophobicContact CD2-SD 3.99Å; L47-M394 HydrophobicContact CB-SD 4.3Å; L47-M394 HydrophobicContact CD2-CE 4.09Å; L47-M394 HydrophobicContact CD2-SD 3.86Å; L47-M394 HydrophobicContact CG-SD 4.49Å; M94-M394 WeakPolarHBondContact O-CE 3.25Å; L138-M394 HydrophobicContact CD2-CB 3.5Å; L138-M394 HydrophobicContact CD2-CE 3.7Å; L138-M394 HydrophobicContact CD2-CG 4.41Å; L138-M394 HydrophobicContact CD2-SD 4.1Å; F199-M394 HydrophobicContact CE2-SD 4.02Å; F199-M394 HydrophobicContact CZ-SD 4.26Å; L390-M394 HydrophobicContact CD1-CG 3.88Å; L390-M394 HydrophobicContact CD1-SD 4.38Å; L390-M394 HydrophobicContact CG-CE 4.07Å; L390-M394 HydrophobicContact CG-CG 4.14Å; L390-M394 HydrophobicContact CG-SD 4.22Å; L390-M394 VanDerWaalsContact O-CG 3.3Å; L390-M394 WeakPolarHBondContact O-CG 3.31Å; L390-M394 PolarHBondContact O-N 3.36Å; Y391-M394 PolarHBondContact O-N 2.93Å; M394-H396 VanDerWaalsContact C-N 3.34Å; M394-H396 PolarHBondContact O-N 3.06Å; M394-I397 PolarHBondContact O-N 2.94Å; M394-L398 WeakPolarHBondContact O-CB 3.31Å; M394-L398 WeakPolarHBondContact O-CG 3.49Å; M394-L398 PolarHBondContact O-N 3.31Å
395	C	98.7	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-44	173.9	-67.9	0	0	0	0	112	L138 Y391 L393 L398 A399 V400 P402	L138-C395 VanDerWaalsContact CD1-SG 3.58Å; Y391-C395 VanDerWaalsContact CZ-SG 3.56Å; Y391-C395 PolarHBondContact O-N 2.74Å; Y391-C395 PolarHBondContact O-SG 3.13Å; L393-C395 VanDerWaalsContact C-N 3.34Å; L393-C395 PolarHBondContact O-N 2.71Å; C395-L398 PolarHBondContact O-N 2.87Å; C395-A399 PolarHBondContact O-N 3.42Å; C395-A399 VanDerWaalsContact O-N 3.12Å; C395-V400 CarbonylContact C-O 3.57Å; C395-V400 HydrophobicContact CB-CG1 3.99Å; C395-V400 PolarHBondContact O-N 3.26Å; C395-V400 VanDerWaalsContact O-O 3.12Å; C395-P402 HydrophobicContact CB-CB 3.88Å; C395-P402 HydrophobicContact CB-CG 4.43Å
396	H	98.2	Very high	98.3	Very high	96 Å²	96	35.3 Å²	35.3	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-48.4	176.6	-177.2	85.4	0	0	0	111.7	P392 L393 M394 L398 A399 L409 L416	P392-H396 WeakPolarHBondContact O-CB 3.48Å; P392-H396 PolarHBondContact O-N 2.95Å; L393-H396 WeakPolarHBondContact O-CB 3.36Å; L393-H396 PolarHBondContact O-N 3.06Å; M394-H396 VanDerWaalsContact C-N 3.34Å; M394-H396 PolarHBondContact O-N 3.06Å; H396-L398 PolarHBondContact O-N 3.04Å; H396-A399 PolarHBondContact O-N 3.04Å; H396-A399 VanDerWaalsContact O-N 3.12Å; H396-L409 HydrophobicContact CB-CD1 3.89Å; H396-L409 HydrophobicContact CB-CD2 3.99Å; H396-L409 WeakPolarHBondContact ND1-CD2 3.36Å; H396-L416 WeakPolarHBondContact CD2-CD1 3.18Å
397	I	98.3	Very high	98.3	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-44.7	178.1	-66.2	168.9	0	0	0	111	P43 L45 N249 A375 F376 L393 M394 A399 L416	P43-I397 VanDerWaalsContact CB-O 3.32Å; P43-I397 WeakPolarHBondContact CB-O 3.35Å; P43-I397 VanDerWaalsContact CG-O 3.24Å; P43-I397 WeakPolarHBondContact CG-O 3.15Å; L45-I397 HydrophobicContact CB-CG2 4.25Å; L45-I397 HydrophobicContact CD1-CD1 4.39Å; L45-I397 HydrophobicContact CD1-CG2 4.38Å; N249-I397 HydrophobicContact CB-CG2 4.04Å; N249-I397 WeakPolarHBondContact ND2-CG2 3.36Å; A375-I397 HydrophobicContact CB-CD1 4.4Å; A375-I397 HydrophobicContact CB-CG1 3.96Å; A375-I397 HydrophobicContact CB-CG2 4.32Å; F376-I397 HydrophobicContact CE1-CD1 4.19Å; F376-I397 HydrophobicContact CE2-CD1 3.97Å; F376-I397 HydrophobicContact CZ-CD1 3.57Å; L393-I397 HydrophobicContact CD1-CD1 4.24Å; L393-I397 HydrophobicContact CG-CD1 4.23Å; L393-I397 WeakPolarHBondContact O-CG1 3.49Å; L393-I397 PolarHBondContact O-N 3.23Å; M394-I397 PolarHBondContact O-N 2.94Å; I397-A399 PolarHBondContact O-N 2.7Å; I397-L416 HydrophobicContact CD1-CD2 4.33Å; I397-L416 HydrophobicContact CG1-CD2 4.11Å
398	L	97.9	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.8	179	-71.4	165.1	0	0	0	114.2	R42 L45 L138 V142 D198 F199 M394 C395 H396 V400	R42-L398 PolarHBondContact NH1-O 3.43Å; L45-L398 HydrophobicContact CB-CD2 3.92Å; L45-L398 HydrophobicContact CB-CG 4.11Å; L45-L398 HydrophobicContact CD2-CD1 3.88Å; L45-L398 HydrophobicContact CD2-CG 3.98Å; L138-L398 HydrophobicContact CD1-CD1 4.37Å; L138-L398 HydrophobicContact CD2-CD1 3.95Å; L138-L398 HydrophobicContact CG-CD1 4.25Å; V142-L398 HydrophobicContact CG2-CD1 3.79Å; D198-L398 HydrophobicContact CB-CD2 4.29Å; F199-L398 HydrophobicContact CB-CD1 3.91Å; F199-L398 HydrophobicContact CB-CD2 3.97Å; F199-L398 HydrophobicContact CD2-CD1 3.85Å; F199-L398 HydrophobicContact CG-CD1 3.89Å; M394-L398 WeakPolarHBondContact O-CB 3.31Å; M394-L398 WeakPolarHBondContact O-CG 3.49Å; M394-L398 PolarHBondContact O-N 3.31Å; C395-L398 PolarHBondContact O-N 2.87Å; H396-L398 PolarHBondContact O-N 3.04Å; L398-V400 HydrophobicContact CB-CG1 3.97Å; L398-V400 PolarHBondContact O-N 2.8Å
399	A	96.8	Very high	98.3	Very high	41 Å²	41	36.5 Å²	36.5	34%	0.339	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.6	-176.2	0	0	0	0	0	113.7	K40 R42 C395 H396 I397	K40-A399 PolarHBondContact NZ-O 3.24Å; R42-A399 PolarHBondContact NH1-O 2.88Å; C395-A399 PolarHBondContact O-N 3.42Å; C395-A399 VanDerWaalsContact O-N 3.12Å; H396-A399 PolarHBondContact O-N 3.04Å; H396-A399 VanDerWaalsContact O-N 3.12Å; I397-A399 PolarHBondContact O-N 2.7Å
400	V	96.6	Very high	98.2	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	24%	0.242	C	C	.	.			trans	-111.3	147.3	176.2	63.4	0	0	0	0	109.7	L138 T141 V142 D145 C395 L398	L138-V400 HydrophobicContact CD1-CG1 4.27Å; T141-V400 HydrophobicContact CG2-CG2 3.94Å; V142-V400 HydrophobicContact CG2-CG1 4.43Å; D145-V400 HydrophobicContact CB-CG2 3.76Å; C395-V400 CarbonylContact C-O 3.57Å; C395-V400 HydrophobicContact CB-CG1 3.99Å; C395-V400 PolarHBondContact O-N 3.26Å; C395-V400 VanDerWaalsContact O-O 3.12Å; L398-V400 HydrophobicContact CB-CG1 3.97Å; L398-V400 PolarHBondContact O-N 2.8Å
401	Q	97.1	Very high	98.2	Very high	160 Å²	160	45.8 Å²	45.8	75%	0.748	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-73.3	125.3	176.2	-66.8	-60	-50.1	0	0	110
402	P	97.9	Very high	98.2	Very high	58 Å²	58	45.8 Å²	45.8	38%	0.377	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-66.5	142.1	174.6	28.3	-33.5	0	0	0	110.1	Y391 C395	Y391-P402 HydrophobicContact CD1-CB 4.45Å; Y391-P402 HydrophobicContact CE1-CB 3.83Å; C395-P402 HydrophobicContact CB-CB 3.88Å; C395-P402 HydrophobicContact CB-CG 4.43Å
403	L	98.3	Very high	98.1	Very high	70 Å²	70	50 Å²	50	37%	0.366	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74	164	167.1	-64.7	172.9	0	0	0	110.2	V136 T141 Y391 N405	V136-L403 HydrophobicContact CB-CD1 3.45Å; V136-L403 VanDerWaalsContact CB-CD1 3.45Å; V136-L403 HydrophobicContact CG1-CD1 3.58Å; V136-L403 HydrophobicContact CG2-CD1 3.83Å; T141-L403 HydrophobicContact CG2-CD1 4.26Å; T141-L403 HydrophobicContact CG2-CG 4.2Å; Y391-L403 PolarHBondContact OH-N 3.03Å; Y391-L403 VanDerWaalsContact OH-N 3.15Å; L403-N405 PolarHBondContact O-N 2.85Å; L403-N405 PolarHBondContact O-ND2 3.29Å
404	P	98.5	Very high	98.1	Very high	124 Å²	124	51.8 Å²	51.8	81%	0.805	29%	0.286	S	S	*	.	S	Bend	trans	-53.5	124.4	175.3	-26.2	35.8	0	0	0	111.1
405	N	98.7	Very high	98	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.203	29%	0.286	C	S	.	.			trans	-148.7	169.5	-174	71.5	94.7	0	0	0	110.7	G97 L98 Y391 L403 G407	G97-N405 WeakPolarHBondContact O-CB 3.34Å; L98-N405 HydrophobicContact CD2-CB 4.37Å; Y391-N405 HydrophobicContact CD1-CB 3.98Å; Y391-N405 HydrophobicContact CE1-CB 4.18Å; L403-N405 PolarHBondContact O-N 2.85Å; L403-N405 PolarHBondContact O-ND2 3.29Å; N405-G407 VanDerWaalsContact OD1-CA 3.25Å; N405-G407 WeakPolarHBondContact OD1-CA 3.27Å; N405-G407 PolarHBondContact OD1-N 2.65Å; N405-G407 PolarHBondContact OD1-O 2.71Å
406	N	98.6	Very high	98	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	29%	0.289	S	S	.	.	S	Bend	trans	-87.6	-9.9	-179.3	-57.9	110	0	0	0	113.4	G97 L98 Y99 R386	G97-N406 WeakPolarHBondContact O-CA 3.42Å; G97-N406 WeakPolarHBondContact O-CB 3.27Å; G97-N406 PolarHBondContact O-N 3.22Å; L98-N406 VanDerWaalsContact CA-OD1 3.27Å; L98-N406 WeakPolarHBondContact CA-OD1 3.24Å; L98-N406 WeakPolarHBondContact CD2-OD1 3.38Å; Y99-N406 HydrophobicContact CD2-CB 3.6Å; Y99-N406 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N406 HydrophobicContact CE2-CB 3.5Å; Y99-N406 PolarHBondContact N-OD1 2.89Å; R386-N406 PolarHBondContact NH2-O 3.4Å
407	G	98.4	Very high	97.8	Very high	16 Å²	16	50 Å²	50	17%	0.165	28%	0.284	C	S	.	.			trans	-78.2	164.6	174.6	0	0	0	0	0	114.1	G97 V388 D389 N405	G97-G407 PolarHBondContact O-N 3.02Å; V388-G407 WeakPolarHBondContact O-CA 3.45Å; D389-G407 VanDerWaalsContact OD1-CA 3.24Å; D389-G407 WeakPolarHBondContact OD1-CA 3.46Å; N405-G407 VanDerWaalsContact OD1-CA 3.25Å; N405-G407 WeakPolarHBondContact OD1-CA 3.27Å; N405-G407 PolarHBondContact OD1-N 2.65Å; N405-G407 PolarHBondContact OD1-O 2.71Å
408	S	98.3	Very high	96.8	Very high	34 Å²	34	55.3 Å²	55.3	24%	0.238	32%	0.322	C	S	.	.			trans	-138.1	120.9	176.7	170.5	0	0	0	0	110.4	D389 L410 N411	D389-S408 PolarHBondContact OD1-N 2.73Å; S408-L410 PolarHBondContact O-N 2.74Å; S408-L410 PolarHBondContact OG-N 2.95Å; S408-N411 WeakPolarHBondContact O-CB 3.47Å; S408-N411 PolarHBondContact O-N 3.06Å; S408-N411 VanDerWaalsContact O-N 3.11Å; S408-N411 PolarHBondContact OG-OD1 3.47Å
409	L	98.4	Very high	95.1	Very high	44 Å²	44	60.6 Å²	60.6	23%	0.23	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.9	173.4	179.2	63.8	0	0	0	111.6	P392 L393 H396 N411 V412 Q413 L416	P392-L409 HydrophobicContact CB-CB 4.31Å; L393-L409 HydrophobicContact CD1-CD1 4.37Å; H396-L409 HydrophobicContact CB-CD1 3.89Å; H396-L409 HydrophobicContact CB-CD2 3.99Å; H396-L409 WeakPolarHBondContact ND1-CD2 3.36Å; L409-N411 PolarHBondContact O-N 3.26Å; L409-V412 HydrophobicContact CD1-CG2 4.49Å; L409-V412 CarbonylContact O-C 3.29Å; L409-V412 WeakPolarHBondContact O-CG2 3.26Å; L409-V412 PolarHBondContact O-N 2.99Å; L409-Q413 WeakPolarHBondContact O-CB 3.27Å; L409-Q413 PolarHBondContact O-N 3.1Å; L409-L416 HydrophobicContact CD1-CD1 4.24Å
410	L	98.1	Very high	92.8	Very high	134 Å²	134	63.7 Å²	63.7	70%	0.702	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-60.8	-28.7	-179.4	-63.8	173.8	0	0	0	112.5	S408 V412	S408-L410 PolarHBondContact O-N 2.74Å; S408-L410 PolarHBondContact OG-N 2.95Å; L410-V412 PolarHBondContact O-N 2.97Å
411	N	98.3	Very high	90.3	Very high	65 Å²	65	68.1 Å²	68.1	35%	0.348	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-69.8	-21.6	178.6	-63.9	3.2	0	0	0	112.6	K382 R386 D389 S408 L409	K382-N411 WeakPolarHBondContact CE-O 3.48Å; K382-N411 PolarHBondContact NZ-O 3.37Å; R386-N411 PolarHBondContact NH2-ND2 3.43Å; D389-N411 HydrophobicContact CB-CB 4.45Å; D389-N411 PolarHBondContact OD1-ND2 3.08Å; D389-N411 WeakPolarHBondContact OD2-CB 3.34Å; D389-N411 PolarHBondContact OD2-ND2 3.33Å; S408-N411 WeakPolarHBondContact O-CB 3.47Å; S408-N411 PolarHBondContact O-N 3.06Å; S408-N411 VanDerWaalsContact O-N 3.11Å; S408-N411 PolarHBondContact OG-OD1 3.47Å; L409-N411 PolarHBondContact O-N 3.26Å
412	V	98.3	Very high	87.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	4.1	-170.4	-68.2	0	0	0	0	113.4	M385 D389 L393 L409 L410 D414 L415	M385-V412 HydrophobicContact CB-CG1 3.9Å; M385-V412 HydrophobicContact CE-CG1 4.23Å; D389-V412 HydrophobicContact CB-CG1 3.73Å; D389-V412 HydrophobicContact CB-CG2 4.18Å; L393-V412 HydrophobicContact CB-CG2 3.89Å; L393-V412 HydrophobicContact CD1-CG2 4.45Å; L393-V412 HydrophobicContact CD2-CB 4.44Å; L393-V412 HydrophobicContact CD2-CG2 4.38Å; L393-V412 HydrophobicContact CG-CG2 4.48Å; L409-V412 HydrophobicContact CD1-CG2 4.49Å; L409-V412 CarbonylContact O-C 3.29Å; L409-V412 WeakPolarHBondContact O-CG2 3.26Å; L409-V412 PolarHBondContact O-N 2.99Å; L410-V412 PolarHBondContact O-N 2.97Å; V412-D414 WeakPolarHBondContact CA-OD1 3.14Å; V412-D414 PolarHBondContact O-N 2.94Å; V412-L415 HydrophobicContact CB-CD1 4.11Å; V412-L415 HydrophobicContact CG1-CD1 4.37Å; V412-L415 VanDerWaalsContact O-CB 3.27Å; V412-L415 WeakPolarHBondContact O-CB 3.3Å; V412-L415 WeakPolarHBondContact O-CG 3.14Å; V412-L415 PolarHBondContact O-N 3.15Å
413	Q	97.4	Very high	84.4	Confident	95 Å²	95	68.8 Å²	68.8	44%	0.444	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.6	177.8	-171.6	174.8	28.4	0	0	112.2	L409 L415 L416	L409-Q413 WeakPolarHBondContact O-CB 3.27Å; L409-Q413 PolarHBondContact O-N 3.1Å; Q413-L415 PolarHBondContact O-N 3.12Å; Q413-L416 WeakPolarHBondContact O-CB 3.33Å; Q413-L416 PolarHBondContact O-N 3.48Å; Q413-L416 VanDerWaalsContact O-N 3.11Å
414	D	97.7	Very high	81.3	Confident	39 Å²	39	69 Å²	69	21%	0.209	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-69.6	-14.9	171.9	63.2	-40.8	0	0	0	113.9	R377 Y380 K382 V412 L416	R377-D414 WeakPolarHBondContact CD-O 3.22Å; R377-D414 PolarHBondContact NE-O 3.03Å; R377-D414 PolarHBondContact NH1-O 2.99Å; Y380-D414 HydrophobicContact CE1-CB 4.35Å; Y380-D414 WeakPolarHBondContact CE1-O 3.4Å; Y380-D414 PolarHBondContact OH-OD2 2.9Å; Y380-D414 VanDerWaalsContact OH-OD2 3.04Å; K382-D414 WeakPolarHBondContact CE-OD1 3.49Å; K382-D414 IonicContact NZ-OD1 2.77Å; K382-D414 PolarHBondContact NZ-OD1 3.2Å; K382-D414 IonicContact NZ-OD2 3.52Å; K382-D414 PolarHBondContact NZ-OD2 3.28Å; V412-D414 WeakPolarHBondContact CA-OD1 3.14Å; V412-D414 PolarHBondContact O-N 2.94Å; D414-L416 VanDerWaalsContact C-N 3.27Å
415	L	98.4	Very high	78.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-73.5	-20.6	167.6	-60.4	179.2	0	0	0	112.5	V74 V76 F369 F376 R377 Y380 K382 L393 V412 Q413	V74-L415 HydrophobicContact CB-CD2 4Å; V74-L415 HydrophobicContact CG1-CD2 4.34Å; V74-L415 HydrophobicContact CG2-CB 4.49Å; V74-L415 HydrophobicContact CG2-CD2 4Å; V76-L415 HydrophobicContact CG2-CD1 4.33Å; V76-L415 HydrophobicContact CG2-CD2 4.14Å; F369-L415 HydrophobicContact CE1-CD1 4.17Å; F369-L415 HydrophobicContact CZ-CD1 4.44Å; F376-L415 WeakPolarHBondContact CA-O 3.05Å; F376-L415 HydrophobicContact CD1-CB 4.33Å; F376-L415 HydrophobicContact CE1-CB 4.49Å; R377-L415 PolarHBondContact N-O 3.31Å; Y380-L415 HydrophobicContact CD1-CD2 4.26Å; Y380-L415 HydrophobicContact CE1-CD2 4.24Å; K382-L415 HydrophobicContact CB-CD2 3.79Å; K382-L415 HydrophobicContact CD-CD1 4.27Å; K382-L415 HydrophobicContact CD-CD2 3.5Å; K382-L415 HydrophobicContact CD-CG 3.79Å; K382-L415 HydrophobicContact CG-CD2 4.31Å; L393-L415 HydrophobicContact CD2-CD1 3.95Å; V412-L415 HydrophobicContact CB-CD1 4.11Å; V412-L415 HydrophobicContact CG1-CD1 4.37Å; V412-L415 VanDerWaalsContact O-CB 3.27Å; V412-L415 WeakPolarHBondContact O-CB 3.3Å; V412-L415 WeakPolarHBondContact O-CG 3.14Å; V412-L415 PolarHBondContact O-N 3.15Å; Q413-L415 PolarHBondContact O-N 3.12Å
416	L	98.3	Very high	75.7	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-90.8	146.8	-174.4	-62.3	170.4	0	0	0	112.3	A375 R377 L393 H396 I397 L409 Q413 D414	A375-L416 HydrophobicContact CB-CD2 4.11Å; A375-L416 WeakPolarHBondContact O-CA 3.48Å; A375-L416 WeakPolarHBondContact O-CD2 3.43Å; R377-L416 WeakPolarHBondContact CG-O 3.36Å; R377-L416 PolarHBondContact NE-O 2.64Å; L393-L416 HydrophobicContact CD1-CD1 3.95Å; L393-L416 HydrophobicContact CD1-CD2 3.73Å; L393-L416 HydrophobicContact CD1-CG 3.82Å; H396-L416 WeakPolarHBondContact CD2-CD1 3.18Å; I397-L416 HydrophobicContact CD1-CD2 4.33Å; I397-L416 HydrophobicContact CG1-CD2 4.11Å; L409-L416 HydrophobicContact CD1-CD1 4.24Å; Q413-L416 WeakPolarHBondContact O-CB 3.33Å; Q413-L416 PolarHBondContact O-N 3.48Å; Q413-L416 VanDerWaalsContact O-N 3.11Å; D414-L416 VanDerWaalsContact C-N 3.27Å
417	S	94.3	Very high	72.8	Confident	47 Å²	47	74.7 Å²	74.7	33%	0.329	48%	0.475	S	S	.	.			trans	-71.1	140.3	170.2	-78.7	0	0	0	0	110.9	A375 F376 E419	A375-S417 PolarHBondContact O-N 3.32Å; F376-S417 PolarHBondContact O-OG 2.93Å; S417-E419 VanDerWaalsContact C-N 3.35Å; S417-E419 PolarHBondContact O-N 2.88Å
418	S	77.3	Confident	69.9	Low	120 Å²	120	77.9 Å²	77.9	84%	0.839	50%	0.5	S	S	*	.			trans	-77.7	86	175.8	52.8	0	0	0	0	110.3
419	E	60.7	Low	67	Low	110 Å²	110	85 Å²	85	51%	0.514	53%	0.529	S	S	.	.			trans	-57.1	158	-177.9	-90	-80	112	0	0	114.8	S417 T421	S417-E419 VanDerWaalsContact C-N 3.35Å; S417-E419 PolarHBondContact O-N 2.88Å; E419-T421 VanDerWaalsContact OE1-CB 3.25Å; E419-T421 WeakPolarHBondContact OE1-CB 3.36Å; E419-T421 PolarHBondContact OE1-N 3.35Å; E419-T421 PolarHBondContact OE1-OG1 3.46Å; E419-T421 PolarHBondContact OE2-N 2.84Å
420	P	50.1	Low	64	Low	106 Å²	106	88.9 Å²	88.9	69%	0.688	56%	0.56	S	S	*	*			cis	-127.4	136.6	39.2	36.8	-20.3	0	0	0	118.9	T422	P420-T422 PolarHBondContact O-N 3.44Å; P420-T422 VanDerWaalsContact O-N 3.09Å
421	T	42.9	Very low	61.5	Low	101 Å²	101	88.5 Å²	88.5	62%	0.62	56%	0.563	S	S	*	*			trans	-77.1	85.6	162.4	-58.9	0	0	0	0	109	E419	E419-T421 VanDerWaalsContact OE1-CB 3.25Å; E419-T421 WeakPolarHBondContact OE1-CB 3.36Å; E419-T421 PolarHBondContact OE1-N 3.35Å; E419-T421 PolarHBondContact OE1-OG1 3.46Å; E419-T421 PolarHBondContact OE2-N 2.84Å
422	T	36	Very low	59	Low	114 Å²	114	91.1 Å²	91.1	70%	0.699	58%	0.584	S	S	*	*			trans	-124.9	83.7	162.1	-13.7	0	0	0	0	109.3	P420 A424	P420-T422 PolarHBondContact O-N 3.44Å; P420-T422 VanDerWaalsContact O-N 3.09Å; T422-A424 PolarHBondContact O-N 3.14Å
423	S	36.5	Very low	56.3	Low	118 Å²	118	96.5 Å²	96.5	83%	0.825	62%	0.619	S	S	*	*			trans	-75	55.5	173.3	46.4	0	0	0	0	112
424	A	33.1	Very low	53.7	Low	75 Å²	75	97.4 Å²	97.4	62%	0.62	63%	0.633	S	S	*	*			trans	-74.9	130	164.4	0	0	0	0	0	109.2	T422 A426	T422-A424 PolarHBondContact O-N 3.14Å; A424-A426 PolarHBondContact O-N 2.84Å
425	P	41	Very low	51.1	Low	119 Å²	119	105.9 Å²	105.9	77%	0.773	67%	0.668	S	S	*	*			trans	-66.6	127.7	178.9	26.6	-33.2	0	0	0	110.4	S427	P425-S427 PolarHBondContact O-N 3.46Å; P425-S427 VanDerWaalsContact O-N 3.11Å
426	A	38	Very low	48.5	Very low	109 Å²	109	111.3 Å²	111.3	90%	0.901	70%	0.701	S	S	*	*			trans	-64.4	111.3	-178.4	0	0	0	0	0	111.6	A424	A424-A426 PolarHBondContact O-N 2.84Å
427	S	36.7	Very low	46.1	Very low	111 Å²	111	115.5 Å²	115.5	78%	0.776	73%	0.731	S	S	*	*			trans	-150.9	146.2	163.8	67.8	0	0	0	0	113	P425	P425-S427 PolarHBondContact O-N 3.46Å; P425-S427 VanDerWaalsContact O-N 3.11Å
428	A	37.3	Very low	43.9	Very low	83 Å²	83	124.2 Å²	124.2	69%	0.686	76%	0.757	S	S	*	*	S	Bend	trans	65	99.5	162.9	0	0	0	0	0	120.4
429	H	38.1	Very low	42.8	Very low	185 Å²	185	128 Å²	128	86%	0.856	75%	0.754	S	S	*	*			trans	55.1	110.7	134.3	-61.4	-54.3	0	0	0	121.3
430	S	36.3	Very low	42.9	Very low	124 Å²	124	126.8 Å²	126.8	87%	0.867	76%	0.758	S	S	*	*			trans	-71.7	120.7	161.2	42.9	0	0	0	0	112.7
431	T	45.3	Very low	43.8	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	76%	0.758	S	S	*	*			trans	-120.9	138	154.3	46.2	0	0	0	0	109.3
432	P	46.6	Very low	45	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.2	-179.1	30.3	-33.9	0	0	0	111.1
433	P	40.3	Very low	46.4	Very low	114 Å²	114	127 Å²	127	74%	0.74	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-73.4	151.4	179.9	30.6	-35.1	0	0	0	112
434	P	42.2	Very low	48.3	Very low	114 Å²	114	126.2 Å²	126.2	74%	0.74	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71.3	135.8	178.5	29.5	-34.1	0	0	0	111.5	V436	P434-V436 PolarHBondContact O-N 2.97Å; P434-V436 VanDerWaalsContact O-N 3.17Å
435	K	45.1	Very low	50.5	Low	217 Å²	217	126.6 Å²	126.6	94%	0.943	73%	0.731	S	S	*	*			trans	-68.8	109.4	171.8	-74.1	-178.3	176.3	178.5	0	110.3
436	V	43.3	Very low	52.4	Low	114 Å²	114	123 Å²	123	69%	0.691	72%	0.716	S	S	*	*			trans	-101.8	108	170	-177.8	0	0	0	0	109.3	P434 R438	P434-V436 PolarHBondContact O-N 2.97Å; P434-V436 VanDerWaalsContact O-N 3.17Å; V436-R438 HydrophobicContact CG1-CG 4.44Å; V436-R438 PolarHBondContact O-N 2.81Å; V436-R438 VanDerWaalsContact O-N 3.08Å
437	S	46.9	Very low	54.3	Low	99 Å²	99	121.8 Å²	121.8	69%	0.692	70%	0.7	S	S	*	*			trans	-75.4	94.6	173.5	60.6	0	0	0	0	110.7	Y439	S437-Y439 PolarHBondContact O-N 3.4Å
438	R	47.9	Very low	56.8	Low	229 Å²	229	123.4 Å²	123.4	86%	0.864	69%	0.694	S	S	*	*			trans	-79	106.3	166.3	-75.2	-170.5	179.9	-177	2.1	109.8	V436 S440	V436-R438 HydrophobicContact CG1-CG 4.44Å; V436-R438 PolarHBondContact O-N 2.81Å; V436-R438 VanDerWaalsContact O-N 3.08Å; R438-S440 PolarHBondContact O-N 3.48Å
439	Y	54.8	Low	59.1	Low	199 Å²	199	123.8 Å²	123.8	78%	0.78	68%	0.684	S	S	*	*			trans	-65.7	123	160.7	-74.4	-84.5	0	0	0	108.8	S437	S437-Y439 PolarHBondContact O-N 3.4Å
440	S	62.5	Low	61.4	Low	85 Å²	85	116.6 Å²	116.6	59%	0.594	66%	0.659	S	S	*	*			trans	-91.9	120.8	176.1	-176.9	0	0	0	0	109.9	R438 A442 P443	R438-S440 PolarHBondContact O-N 3.48Å; S440-A442 PolarHBondContact O-N 3.22Å; S440-A442 WeakPolarHBondContact OG-CB 3.45Å; S440-A442 PolarHBondContact OG-N 2.65Å; S440-P443 VanDerWaalsContact O-CD 3.25Å; S440-P443 WeakPolarHBondContact O-CD 3.28Å
441	Y	69	Low	64	Low	177 Å²	177	114.8 Å²	114.8	69%	0.694	64%	0.643	S	S	*	*			trans	-79.9	-3.5	173.8	-63.1	-80.2	0	0	0	113.1	V444 V445	Y441-V444 PolarHBondContact O-N 2.89Å; Y441-V445 PolarHBondContact O-N 2.76Å
442	A	67.6	Low	66.1	Low	64 Å²	64	112.6 Å²	112.6	53%	0.529	63%	0.629	S	S	.	*	H	α-helix	trans	-53.4	-39.6	-178.6	0	0	0	0	0	114.7	S440 V444 V445 G446	S440-A442 PolarHBondContact O-N 3.22Å; S440-A442 WeakPolarHBondContact OG-CB 3.45Å; S440-A442 PolarHBondContact OG-N 2.65Å; A442-V444 VanDerWaalsContact C-N 3.35Å; A442-V444 PolarHBondContact O-N 3.34Å; A442-V445 PolarHBondContact O-N 2.84Å; A442-G446 PolarHBondContact O-N 3.01Å
443	P	66.8	Low	68.1	Low	86 Å²	86	113.3 Å²	113.3	56%	0.558	62%	0.624	S	S	*	*	H	α-helix	trans	-63.6	-40.4	176.5	-20.5	33.6	0	0	0	112.2	S440 G446 S447	S440-P443 VanDerWaalsContact O-CD 3.25Å; S440-P443 WeakPolarHBondContact O-CD 3.28Å; P443-G446 PolarHBondContact O-N 2.88Å; P443-S447 WeakPolarHBondContact O-CB 3.16Å; P443-S447 PolarHBondContact O-N 3.2Å; P443-S447 PolarHBondContact O-OG 2.98Å
444	V	76.5	Confident	70.5	Confident	101 Å²	101	112 Å²	112	61%	0.612	61%	0.614	S	S	*	*	H	α-helix	trans	-68	-44.2	-179	-175.5	0	0	0	0	110.8	Y441 A442 S447 F448	Y441-V444 PolarHBondContact O-N 2.89Å; A442-V444 VanDerWaalsContact C-N 3.35Å; A442-V444 PolarHBondContact O-N 3.34Å; V444-S447 PolarHBondContact O-N 2.75Å; V444-F448 WeakPolarHBondContact O-CB 3.47Å; V444-F448 PolarHBondContact O-N 3.5Å
445	V	77.8	Confident	72.7	Confident	82 Å²	82	111.5 Å²	111.5	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-64.8	-44	176.9	176.7	0	0	0	0	111	Y441 A442 F448 I449	Y441-V445 PolarHBondContact O-N 2.76Å; A442-V445 PolarHBondContact O-N 2.84Å; V445-F448 PolarHBondContact O-N 3.45Å; V445-I449 HydrophobicContact CG1-CD1 3.83Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 2.96Å
446	G	81.7	Confident	74.8	Confident	44 Å²	44	103 Å²	103	45%	0.454	58%	0.578	S	S	.	*	H	α-helix	trans	-60.9	-45.9	176.2	0	0	0	0	0	112.8	A442 P443 F448 I449 G450	A442-G446 PolarHBondContact O-N 3.01Å; P443-G446 PolarHBondContact O-N 2.88Å; G446-F448 PolarHBondContact O-N 3.32Å; G446-I449 PolarHBondContact O-N 2.88Å; G446-G450 PolarHBondContact O-N 2.97Å
447	S	78.6	Confident	77.1	Confident	83 Å²	83	104.2 Å²	104.2	58%	0.58	57%	0.574	S	S	*	*	H	α-helix	trans	-61.2	-41.9	175.5	-63	0	0	0	0	112.5	P443 V444 G450 V451	P443-S447 WeakPolarHBondContact O-CB 3.16Å; P443-S447 PolarHBondContact O-N 3.2Å; P443-S447 PolarHBondContact O-OG 2.98Å; V444-S447 PolarHBondContact O-N 2.75Å; S447-G450 PolarHBondContact O-N 2.67Å; S447-V451 WeakPolarHBondContact O-CG2 3.2Å; S447-V451 PolarHBondContact O-N 2.91Å; S447-V451 VanDerWaalsContact O-N 3.11Å
448	F	87.9	Confident	79	Confident	145 Å²	145	103.6 Å²	103.6	64%	0.636	56%	0.562	S	S	*	*	H	α-helix	trans	-64.3	-45.9	178.6	-174.2	-99.3	0	0	0	112.2	V444 V445 G446 G450 V451 V452	V444-F448 WeakPolarHBondContact O-CB 3.47Å; V444-F448 PolarHBondContact O-N 3.5Å; V445-F448 PolarHBondContact O-N 3.45Å; G446-F448 PolarHBondContact O-N 3.32Å; F448-G450 PolarHBondContact O-N 3Å; F448-V451 PolarHBondContact O-N 2.94Å; F448-V452 HydrophobicContact CD1-CG2 4.34Å; F448-V452 HydrophobicContact CE1-CG2 3.97Å; F448-V452 HydrophobicContact CZ-CG2 4.15Å; F448-V452 WeakPolarHBondContact O-CG2 3.38Å; F448-V452 PolarHBondContact O-N 2.86Å; F448-V452 VanDerWaalsContact O-N 3.1Å
449	I	85.9	Confident	81	Confident	92 Å²	92	96.9 Å²	96.9	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-44.7	177.2	-67.2	168.1	0	0	0	110.7	V445 G446 V451 V452 M453	V445-I449 HydrophobicContact CG1-CD1 3.83Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 2.96Å; G446-I449 PolarHBondContact O-N 2.88Å; I449-V451 PolarHBondContact O-N 3.02Å; I449-V452 PolarHBondContact O-N 2.91Å; I449-M453 HydrophobicContact CG2-CG 4.45Å; I449-M453 HydrophobicContact CG2-SD 4.09Å; I449-M453 WeakPolarHBondContact O-CG 3.22Å; I449-M453 PolarHBondContact O-N 2.9Å
450	G	86.7	Confident	82.6	Confident	34 Å²	34	91.3 Å²	91.3	35%	0.351	53%	0.533	S	S	.	.	H	α-helix	trans	-58.4	-44	177.6	0	0	0	0	0	113.1	G446 S447 F448 M453 V454	G446-G450 PolarHBondContact O-N 2.97Å; S447-G450 PolarHBondContact O-N 2.67Å; F448-G450 PolarHBondContact O-N 3Å; G450-M453 PolarHBondContact O-N 3.17Å; G450-V454 WeakPolarHBondContact O-CG2 3.45Å; G450-V454 PolarHBondContact O-N 2.89Å; G450-V454 VanDerWaalsContact O-N 3.08Å
451	V	90.1	Very high	83.8	Confident	86 Å²	86	93.5 Å²	93.5	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176.9	171.2	0	0	0	0	111.6	S447 F448 I449 M453 V454 L455	S447-V451 WeakPolarHBondContact O-CG2 3.2Å; S447-V451 PolarHBondContact O-N 2.91Å; S447-V451 VanDerWaalsContact O-N 3.11Å; F448-V451 PolarHBondContact O-N 2.94Å; I449-V451 PolarHBondContact O-N 3.02Å; V451-M453 VanDerWaalsContact C-N 3.35Å; V451-M453 PolarHBondContact O-N 3.01Å; V451-V454 PolarHBondContact O-N 3.36Å; V451-L455 HydrophobicContact CG1-CD1 3.83Å; V451-L455 HydrophobicContact CG1-CG 4.4Å; V451-L455 WeakPolarHBondContact O-CG 3.23Å; V451-L455 PolarHBondContact O-N 2.99Å
452	V	90.3	Very high	84.7	Confident	79 Å²	79	89 Å²	89	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-62.7	-41	177.8	173.8	0	0	0	0	111.4	F448 I449 G456	F448-V452 HydrophobicContact CD1-CG2 4.34Å; F448-V452 HydrophobicContact CE1-CG2 3.97Å; F448-V452 HydrophobicContact CZ-CG2 4.15Å; F448-V452 WeakPolarHBondContact O-CG2 3.38Å; F448-V452 PolarHBondContact O-N 2.86Å; F448-V452 VanDerWaalsContact O-N 3.1Å; I449-V452 PolarHBondContact O-N 2.91Å; V452-G456 PolarHBondContact O-N 2.67Å
453	M	87.9	Confident	85.3	Confident	135 Å²	135	90.3 Å²	90.3	67%	0.665	52%	0.517	S	S	*	.	H	α-helix	trans	-63.7	-44.6	177.1	-71.5	179.6	76.2	0	0	112.6	I449 G450 V451 G456 F457	I449-M453 HydrophobicContact CG2-CG 4.45Å; I449-M453 HydrophobicContact CG2-SD 4.09Å; I449-M453 WeakPolarHBondContact O-CG 3.22Å; I449-M453 PolarHBondContact O-N 2.9Å; G450-M453 PolarHBondContact O-N 3.17Å; V451-M453 VanDerWaalsContact C-N 3.35Å; V451-M453 PolarHBondContact O-N 3.01Å; M453-G456 PolarHBondContact O-N 3.3Å; M453-F457 WeakPolarHBondContact O-CB 3.43Å; M453-F457 PolarHBondContact O-N 2.78Å
454	V	90.4	Very high	86	Confident	88 Å²	88	91.3 Å²	91.3	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-43.3	178.6	171.8	0	0	0	0	111.4	G450 V451 F457 L458	G450-V454 WeakPolarHBondContact O-CG2 3.45Å; G450-V454 PolarHBondContact O-N 2.89Å; G450-V454 VanDerWaalsContact O-N 3.08Å; V451-V454 PolarHBondContact O-N 3.36Å; V454-F457 PolarHBondContact O-N 3.33Å; V454-L458 HydrophobicContact CG1-CD1 4.1Å; V454-L458 WeakPolarHBondContact O-CG 3.33Å; V454-L458 PolarHBondContact O-N 3.13Å
455	L	89.6	Confident	86.3	Confident	102 Å²	102	89 Å²	89	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-41.8	176.8	-69.5	173.4	0	0	0	111.9	V451 L458 V459	V451-L455 HydrophobicContact CG1-CD1 3.83Å; V451-L455 HydrophobicContact CG1-CG 4.4Å; V451-L455 WeakPolarHBondContact O-CG 3.23Å; V451-L455 PolarHBondContact O-N 2.99Å; L455-L458 PolarHBondContact O-N 3.28Å; L455-V459 WeakPolarHBondContact O-CG2 3.36Å; L455-V459 PolarHBondContact O-N 3.06Å
456	G	89.3	Confident	86.3	Confident	38 Å²	38	88.8 Å²	88.8	39%	0.392	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-45.1	174.9	0	0	0	0	0	112.5	V452 M453 V459 V460	V452-G456 PolarHBondContact O-N 2.67Å; M453-G456 PolarHBondContact O-N 3.3Å; G456-V459 PolarHBondContact O-N 3.23Å; G456-V460 WeakPolarHBondContact O-CG2 3.4Å; G456-V460 PolarHBondContact O-N 2.94Å; G456-V460 VanDerWaalsContact O-N 3.13Å
457	F	90.7	Very high	85.8	Confident	140 Å²	140	91.5 Å²	91.5	61%	0.614	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-45.7	175.1	178	-96.8	0	0	0	112.2	M453 V454 V459 V460 Y461	M453-F457 WeakPolarHBondContact O-CB 3.43Å; M453-F457 PolarHBondContact O-N 2.78Å; V454-F457 PolarHBondContact O-N 3.33Å; F457-V459 PolarHBondContact O-N 3.11Å; F457-V460 PolarHBondContact O-N 2.83Å; F457-Y461 VanDerWaalsContact O-CB 3.32Å; F457-Y461 WeakPolarHBondContact O-CB 3.44Å; F457-Y461 PolarHBondContact O-N 2.86Å
458	L	87.9	Confident	85.4	Confident	86 Å²	86	96.8 Å²	96.8	45%	0.45	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-41.7	178.3	-81.2	165.7	0	0	0	112.6	V454 L455 Y461 V462	V454-L458 HydrophobicContact CG1-CD1 4.1Å; V454-L458 WeakPolarHBondContact O-CG 3.33Å; V454-L458 PolarHBondContact O-N 3.13Å; L455-L458 PolarHBondContact O-N 3.28Å; L458-Y461 PolarHBondContact O-N 2.82Å; L458-V462 WeakPolarHBondContact O-CB 3.41Å; L458-V462 VanDerWaalsContact O-CG2 3.32Å; L458-V462 WeakPolarHBondContact O-CG2 3.39Å; L458-V462 PolarHBondContact O-N 3.12Å
459	V	90.1	Very high	84.5	Confident	88 Å²	88	97 Å²	97	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-46.9	176.5	170.7	0	0	0	0	111.1	L455 G456 F457 Y461 V462 I463	L455-V459 WeakPolarHBondContact O-CG2 3.36Å; L455-V459 PolarHBondContact O-N 3.06Å; G456-V459 PolarHBondContact O-N 3.23Å; F457-V459 PolarHBondContact O-N 3.11Å; V459-Y461 PolarHBondContact O-N 3.25Å; V459-V462 PolarHBondContact O-N 2.97Å; V459-I463 HydrophobicContact CG1-CD1 3.84Å; V459-I463 VanDerWaalsContact O-CG1 3.29Å; V459-I463 WeakPolarHBondContact O-CG1 3.43Å; V459-I463 PolarHBondContact O-N 3.41Å
460	V	87.3	Confident	83.4	Confident	82 Å²	82	101.6 Å²	101.6	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-43.6	177.3	173.4	0	0	0	0	111.1	G456 F457 I463 L464	G456-V460 WeakPolarHBondContact O-CG2 3.4Å; G456-V460 PolarHBondContact O-N 2.94Å; G456-V460 VanDerWaalsContact O-N 3.13Å; F457-V460 PolarHBondContact O-N 2.83Å; V460-I463 PolarHBondContact O-N 3.02Å; V460-L464 HydrophobicContact CG1-CD1 3.87Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 WeakPolarHBondContact O-CG 3.25Å; V460-L464 PolarHBondContact O-N 3.28Å
461	Y	88.8	Confident	82.1	Confident	131 Å²	131	105.7 Å²	105.7	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-59.7	-48.4	177.4	-179.2	-96.1	0	0	0	112.1	F457 L458 V459 I463 L464 V465	F457-Y461 VanDerWaalsContact O-CB 3.32Å; F457-Y461 WeakPolarHBondContact O-CB 3.44Å; F457-Y461 PolarHBondContact O-N 2.86Å; L458-Y461 PolarHBondContact O-N 2.82Å; V459-Y461 PolarHBondContact O-N 3.25Å; Y461-I463 PolarHBondContact O-N 3.14Å; Y461-L464 PolarHBondContact O-N 2.87Å; Y461-V465 HydrophobicContact CD1-CG2 4.32Å; Y461-V465 HydrophobicContact CE1-CG2 3.94Å; Y461-V465 HydrophobicContact CE2-CG2 4.25Å; Y461-V465 WeakPolarHBondContact O-CG2 3.39Å; Y461-V465 PolarHBondContact O-N 3.05Å
462	V	87.3	Confident	80.6	Confident	84 Å²	84	106.2 Å²	106.2	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-61.9	-42.1	177.4	170.2	0	0	0	0	111.3	L458 V459 V465 T466	L458-V462 WeakPolarHBondContact O-CB 3.41Å; L458-V462 VanDerWaalsContact O-CG2 3.32Å; L458-V462 WeakPolarHBondContact O-CG2 3.39Å; L458-V462 PolarHBondContact O-N 3.12Å; V459-V462 PolarHBondContact O-N 2.97Å; V462-V465 PolarHBondContact O-N 3.21Å; V462-T466 VanDerWaalsContact O-CB 3.28Å; V462-T466 WeakPolarHBondContact O-CB 3.39Å; V462-T466 PolarHBondContact O-N 2.58Å; V462-T466 PolarHBondContact O-OG1 3.23Å
463	I	80.1	Confident	78.7	Confident	90 Å²	90	110.6 Å²	110.6	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-60.4	-48.4	176.3	-71	166.7	0	0	0	110.8	V459 V460 Y461 V465 T466 L467	V459-I463 HydrophobicContact CG1-CD1 3.84Å; V459-I463 VanDerWaalsContact O-CG1 3.29Å; V459-I463 WeakPolarHBondContact O-CG1 3.43Å; V459-I463 PolarHBondContact O-N 3.41Å; V460-I463 PolarHBondContact O-N 3.02Å; Y461-I463 PolarHBondContact O-N 3.14Å; I463-V465 PolarHBondContact O-N 3.25Å; I463-T466 PolarHBondContact O-N 2.76Å; I463-L467 HydrophobicContact CG2-CD1 3.78Å; I463-L467 HydrophobicContact CG2-CG 4.36Å; I463-L467 WeakPolarHBondContact O-CB 3.5Å; I463-L467 VanDerWaalsContact O-CG 3.3Å; I463-L467 WeakPolarHBondContact O-CG 3.47Å; I463-L467 PolarHBondContact O-N 3.09Å
464	L	80.4	Confident	76.8	Confident	107 Å²	107	114.2 Å²	114.2	56%	0.56	60%	0.599	S	S	*	*	H	α-helix	trans	-62.6	-43.9	-179.6	-72.3	171.2	0	0	0	112.3	V460 Y461 K468	V460-L464 HydrophobicContact CG1-CD1 3.87Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 WeakPolarHBondContact O-CG 3.25Å; V460-L464 PolarHBondContact O-N 3.28Å; Y461-L464 PolarHBondContact O-N 2.87Å; L464-K468 WeakPolarHBondContact O-CB 3.32Å; L464-K468 PolarHBondContact O-N 2.67Å; L464-K468 VanDerWaalsContact O-N 3.08Å
465	V	82.9	Confident	74.7	Confident	53 Å²	53	119 Å²	119	32%	0.321	62%	0.615	S	S	.	*	H	α-helix	trans	-64.5	-43.6	176.5	173.7	0	0	0	0	111.1	Y461 V462 I463 L467 K468 Q469	Y461-V465 HydrophobicContact CD1-CG2 4.32Å; Y461-V465 HydrophobicContact CE1-CG2 3.94Å; Y461-V465 HydrophobicContact CE2-CG2 4.25Å; Y461-V465 WeakPolarHBondContact O-CG2 3.39Å; Y461-V465 PolarHBondContact O-N 3.05Å; V462-V465 PolarHBondContact O-N 3.21Å; I463-V465 PolarHBondContact O-N 3.25Å; V465-L467 PolarHBondContact O-N 3.46Å; V465-K468 PolarHBondContact O-N 3.08Å; V465-Q469 WeakPolarHBondContact O-CG 3.37Å; V465-Q469 PolarHBondContact O-N 3.11Å
466	T	78	Confident	72.3	Confident	78 Å²	78	125 Å²	125	48%	0.479	63%	0.63	S	S	.	*	H	α-helix	trans	-66.2	-37.9	-179.8	-53.1	0	0	0	0	112.1	V462 I463 Q469	V462-T466 VanDerWaalsContact O-CB 3.28Å; V462-T466 WeakPolarHBondContact O-CB 3.39Å; V462-T466 PolarHBondContact O-N 2.58Å; V462-T466 PolarHBondContact O-OG1 3.23Å; I463-T466 PolarHBondContact O-N 2.76Å; T466-Q469 PolarHBondContact O-N 2.85Å
467	L	72.3	Confident	70	Confident	101 Å²	101	128.3 Å²	128.3	53%	0.529	65%	0.648	S	S	.	*	H	α-helix	trans	-66.2	-39.1	174.4	-72.9	171.3	0	0	0	111.7	I463 V465 Q469 R470	I463-L467 HydrophobicContact CG2-CD1 3.78Å; I463-L467 HydrophobicContact CG2-CG 4.36Å; I463-L467 WeakPolarHBondContact O-CB 3.5Å; I463-L467 VanDerWaalsContact O-CG 3.3Å; I463-L467 WeakPolarHBondContact O-CG 3.47Å; I463-L467 PolarHBondContact O-N 3.09Å; V465-L467 PolarHBondContact O-N 3.46Å; L467-Q469 VanDerWaalsContact C-N 3.25Å; L467-Q469 PolarHBondContact O-N 3Å; L467-R470 PolarHBondContact O-N 2.73Å
468	K	68.9	Low	67.6	Low	193 Å²	193	133 Å²	133	84%	0.839	66%	0.662	S	S	*	*	H	α-helix	trans	-70.6	-17.3	179.9	-156.8	175.2	-173.8	-179.7	0	113.9	L464 V465	L464-K468 WeakPolarHBondContact O-CB 3.32Å; L464-K468 PolarHBondContact O-N 2.67Å; L464-K468 VanDerWaalsContact O-N 3.08Å; V465-K468 PolarHBondContact O-N 3.08Å
469	Q	70.6	Confident	65.6	Low	151 Å²	151	137.2 Å²	137.2	71%	0.706	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	0.6	177.5	-72.4	-175.8	-6.1	0	0	114.5	V465 T466 L467 P471	V465-Q469 WeakPolarHBondContact O-CG 3.37Å; V465-Q469 PolarHBondContact O-N 3.11Å; T466-Q469 PolarHBondContact O-N 2.85Å; L467-Q469 VanDerWaalsContact C-N 3.25Å; L467-Q469 PolarHBondContact O-N 3Å; Q469-P471 WeakPolarHBondContact O-CD 3.35Å
470	R	62.7	Low	63.1	Low	187 Å²	187	141 Å²	141	71%	0.706	69%	0.693	S	S	*	*	S	Bend	trans	-73.3	123.9	174.6	-69.6	-170.6	174.7	-157.6	-0.8	110.7	L467	L467-R470 PolarHBondContact O-N 2.73Å
471	P	59.3	Low	60.9	Low	121 Å²	121	142.3 Å²	142.3	79%	0.786	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-68.3	139	177	27.9	-33.8	0	0	0	111	Q469 L473	Q469-P471 WeakPolarHBondContact O-CD 3.35Å; P471-L473 PolarHBondContact O-N 3.14Å
472	A	56.9	Low	58.5	Low	97 Å²	97	143.5 Å²	143.5	80%	0.802	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.6	128.7	178.5	0	0	0	0	0	111.4	K474	A472-K474 PolarHBondContact O-N 3.2Å
473	L	51.1	Low	56.9	Low	171 Å²	171	145.4 Å²	145.4	90%	0.895	73%	0.73	S	S	*	*			trans	-66.5	115.8	171.9	-81.1	159	0	0	0	109.7	P471 H475	P471-L473 PolarHBondContact O-N 3.14Å; L473-H475 PolarHBondContact O-N 3.29Å; L473-H475 VanDerWaalsContact O-N 3.07Å
474	K	48.1	Very low	55.3	Low	210 Å²	210	147.4 Å²	147.4	91%	0.913	74%	0.741	S	S	*	*			trans	-65.4	105.1	170.6	-82.9	-174.5	173.1	-178.8	0	109.7	A472	A472-K474 PolarHBondContact O-N 3.2Å
475	H	45.8	Very low	53.6	Low	188 Å²	188	150 Å²	150	87%	0.87	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-75.7	132.1	166.1	-130.4	-78.1	0	0	0	110	L473	L473-H475 PolarHBondContact O-N 3.29Å; L473-H475 VanDerWaalsContact O-N 3.07Å
476	R	39.2	Very low	51.7	Low	228 Å²	228	154.6 Å²	154.6	86%	0.86	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-84.3	137.9	-173.7	-152.9	176.3	-171.4	178.7	0.8	109.7
477	S	42	Very low	50.2	Low	109 Å²	109	159.5 Å²	159.5	76%	0.762	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72	149.3	177.7	48.9	0	0	0	0	112.4
478	W	39.8	Very low	49.3	Very low	238 Å²	238	160.3 Å²	160.3	90%	0.902	80%	0.795	S	S	*	*			trans	-143.8	131.1	159.5	-146.4	-70.4	0	0	0	108.9
479	E	45.8	Very low	48.1	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.813	79%	0.791	S	S	*	*			trans	-85.5	152.7	179.3	-59.4	170.8	126.6	0	0	111.1
480	M	38.5	Very low	46.8	Very low	167 Å²	167	158.4 Å²	158.4	82%	0.823	79%	0.792	S	S	*	*			trans	-162.3	112.3	147.7	-112.3	177.7	-59.7	0	0	112.5
481	S	39.9	Very low	45.7	Very low	111 Å²	111	161.2 Å²	161.2	78%	0.776	82%	0.82	S	S	*	*			trans	32	128	142	56	0	0	0	0	122.8
482	Q	39.7	Very low	45	Very low	156 Å²	156	163.3 Å²	163.3	73%	0.729	82%	0.822	S	S	*	*			trans	-48.9	168.2	153.1	-126.6	-177.3	13.9	0	0	114.2
483	P	52.2	Low	44.4	Very low	124 Å²	124	166.7 Å²	166.7	81%	0.805	82%	0.823	S	S	*	*				-144.6	172.7	71.1	38.7	-19.8	0	0	0	117.5
484	L	46.3	Very low	44	Very low	131 Å²	131	166.5 Å²	166.5	69%	0.686	82%	0.819	S	S	*	*			trans	-68.9	158.7	169.5	-63.3	106.3	0	0	0	112.5
485	L	45.3	Very low	43.8	Very low	161 Å²	161	163.9 Å²	163.9	84%	0.843	81%	0.814	S	S	*	*			trans	-143.1	122.6	147.2	-112.1	164.1	0	0	0	109.8
486	Q	42.6	Very low	43.6	Very low	150 Å²	150	162.4 Å²	162.4	70%	0.701	81%	0.81	S	S	*	*			trans	-120.9	127.4	169.8	167.2	-179.2	-13.1	0	0	104.7
487	E	48.3	Very low	43.9	Very low	182 Å²	182	158.1 Å²	158.1	85%	0.85	81%	0.807	S	S	*	*			trans	-142.6	115.9	167.9	-122.4	173.1	-166.8	0	0	110.2
488	D	51.4	Low	44.1	Very low	117 Å²	117	161.6 Å²	161.6	63%	0.626	81%	0.81	S	S	*	*			trans	-66.1	157.6	173.2	-54.8	-63.2	0	0	0	111.8
489	L	45	Very low	44.4	Very low	143 Å²	143	155.7 Å²	155.7	75%	0.749	80%	0.803	S	S	*	*				153.4	139.9	113.6	-87.1	140.9	0	0	0	116.3
490	H	43	Very low	44.3	Very low	161 Å²	161	154.2 Å²	154.2	75%	0.745	80%	0.802	S	S	*	*			trans	83.6	130.5	146.1	-73.9	-45.5	0	0	0	123.4
491	L	39	Very low	44.8	Very low	247 Å²	247	153 Å²	153	100%	1.293	80%	0.8	S	S	*	*			trans	80.8	0	162.8	-70.2	162.1	0	0	0	117.7

Retrieved 491 of 491 residues in 239 ms (Link to these results)

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