A0A093H608_STRCA Loading...

Phosphoribosyl pyrophosphate synthase-associated protein 1

Seems to play a negative regulatory role in 5-phosphoribose 1-diphosphate synthesis.

AlphaFold DB , UniProt , Accession A0A093H608, Species STRCA (Struthio camelus australis), Gene n/a, Length 383 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	41.8	Very low	31.9	Very low	246 Å²	246	171.2 Å²	171.2	100%	1.212	84%	0.84	S	S	*	*				0	119.4	0	-79.7	-143.6	-178.3	0	0	109.8
2	P	30.9	Very low	32.2	Very low	125 Å²	125	168.1 Å²	168.1	81%	0.812	84%	0.837	S	S	*	*			trans	-122	135	153.1	27.6	-11.1	0	0	0	111.3	K4	P2-K4 PolarHBondContact O-N 3.11Å
3	R	34.7	Very low	33.1	Very low	252 Å²	252	164.7 Å²	164.7	95%	0.951	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61.6	121	175.2	-70.9	173.3	171.3	-176.9	-4	109.9
4	K	31.1	Very low	32.8	Very low	208 Å²	208	159.8 Å²	159.8	90%	0.904	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82.3	116.3	164.9	-86.8	-176.6	175.7	179.6	0	108.9	P2	P2-K4 PolarHBondContact O-N 3.11Å
5	L	30.4	Very low	32.7	Very low	158 Å²	158	160.7 Å²	160.7	83%	0.827	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.1	166.9	-121.5	75.8	0	0	0	109.3	L7	L5-L7 PolarHBondContact O-N 3.4Å
6	L	31	Very low	33.1	Very low	174 Å²	174	160 Å²	160	91%	0.911	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.4	116.5	164.2	-87	137.5	0	0	0	108.7
7	L	28.1	Very low	32.6	Very low	154 Å²	154	160.9 Å²	160.9	81%	0.806	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-85	144.2	167.3	-79.8	163.8	0	0	0	109.4	L5	L5-L7 PolarHBondContact O-N 3.4Å
8	P	30.8	Very low	32.4	Very low	109 Å²	109	156.2 Å²	156.2	71%	0.708	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.7	147.3	-177.6	30.1	-32.9	0	0	0	112.2	K10	P8-K10 PolarHBondContact O-N 3.48Å
9	Y	31.8	Very low	32.3	Very low	184 Å²	184	154.8 Å²	154.8	72%	0.722	78%	0.782	S	S	*	*			trans	-35.1	115.7	173.1	-130.1	-104.4	0	0	0	113.3
10	K	28.3	Very low	32.2	Very low	199 Å²	199	157 Å²	157	87%	0.865	78%	0.78	S	S	*	*			trans	-101.2	98.5	164	-80.2	-172.4	177.7	-178.9	0	108.6	P8	P8-K10 PolarHBondContact O-N 3.48Å
11	S	31.6	Very low	32.1	Very low	74 Å²	74	152.8 Å²	152.8	52%	0.517	78%	0.777	S	S	.	*			trans	-63.6	135.3	171.1	165.5	0	0	0	0	111.2	F13	S11-F13 PolarHBondContact O-N 3.16Å; S11-F13 PolarHBondContact OG-N 2.83Å
12	V	35.8	Very low	31.6	Very low	134 Å²	134	149.5 Å²	149.5	81%	0.812	76%	0.763	S	S	*	*	S	Bend	trans	-77.6	1.1	177.1	-178.4	0	0	0	0	112	S14	V12-S14 PolarHBondContact O-N 3.26Å
13	F	44.1	Very low	31.6	Very low	124 Å²	124	152.8 Å²	152.8	54%	0.544	77%	0.768	S	S	.	*			trans	-81.7	47	177.3	-70	-71.7	0	0	0	114.5	S11 H15 F16	S11-F13 PolarHBondContact O-N 3.16Å; S11-F13 PolarHBondContact OG-N 2.83Å; F13-H15 PolarHBondContact O-N 2.96Å; F13-H15 VanDerWaalsContact O-N 3.17Å; F13-F16 HydrophobicContact CB-CD2 4.17Å; F13-F16 AromaticContact CD1-CD2 3.55Å; F13-F16 HydrophobicContact CD1-CD2 3.55Å; F13-F16 AromaticContact CD1-CE2 3.53Å; F13-F16 HydrophobicContact CD1-CE2 3.53Å; F13-F16 HydrophobicContact CE1-CD2 4.31Å; F13-F16 AromaticContact CE1-CE2 3.83Å; F13-F16 HydrophobicContact CE1-CE2 3.83Å; F13-F16 HydrophobicContact CG-CD2 4.19Å; F13-F16 HydrophobicContact CG-CE2 4.49Å; F13-F16 PolarHBondContact O-N 3.43Å
14	S	28.4	Very low	31.2	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-3.6	167	61.8	0	0	0	0	113.7	V12	V12-S14 PolarHBondContact O-N 3.26Å
15	H	31.9	Very low	31.5	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.806	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-0.8	-179.4	-75.9	53.5	0	0	0	114.4	F13 R17	F13-H15 PolarHBondContact O-N 2.96Å; F13-H15 VanDerWaalsContact O-N 3.17Å; H15-R17 PolarHBondContact O-N 3.21Å
16	F	38.7	Very low	31.5	Very low	149 Å²	149	140.3 Å²	140.3	65%	0.654	75%	0.747	S	S	*	*			trans	-92.4	74.3	164.1	-78	-84.2	0	0	0	109.6	F13 A18	F13-F16 HydrophobicContact CB-CD2 4.17Å; F13-F16 AromaticContact CD1-CD2 3.55Å; F13-F16 HydrophobicContact CD1-CD2 3.55Å; F13-F16 AromaticContact CD1-CE2 3.53Å; F13-F16 HydrophobicContact CD1-CE2 3.53Å; F13-F16 HydrophobicContact CE1-CD2 4.31Å; F13-F16 AromaticContact CE1-CE2 3.83Å; F13-F16 HydrophobicContact CE1-CE2 3.83Å; F13-F16 HydrophobicContact CG-CD2 4.19Å; F13-F16 HydrophobicContact CG-CE2 4.49Å; F13-F16 PolarHBondContact O-N 3.43Å; F16-A18 PolarHBondContact O-N 3.03Å
17	R	24.9	Very low	31.6	Very low	175 Å²	175	136.5 Å²	136.5	66%	0.66	74%	0.74	S	S	*	*			trans	-79.9	114.3	169.7	-145	-162.6	-128.1	-176.7	-140.6	108	H15 R20	H15-R17 PolarHBondContact O-N 3.21Å; R17-R20 VanDerWaalsContact CZ-NH2 3.34Å
18	A	28.3	Very low	31.7	Very low	77 Å²	77	137.5 Å²	137.5	64%	0.636	74%	0.743	S	S	*	*			trans	-51.6	140.8	159.9	0	0	0	0	0	108.8	F16 R20	F16-A18 PolarHBondContact O-N 3.03Å; A18-R20 PolarHBondContact O-N 2.84Å
19	P	30.2	Very low	31.6	Very low	129 Å²	129	139.5 Å²	139.5	84%	0.838	75%	0.748	S	S	*	*			trans	-60.3	129.5	177.8	24	-30.5	0	0	0	109.3	G21	P19-G21 PolarHBondContact O-N 3.48Å; P19-G21 VanDerWaalsContact O-N 3.16Å
20	R	31.1	Very low	31.8	Very low	199 Å²	199	135.7 Å²	135.7	75%	0.751	76%	0.755	S	S	*	*			trans	-66.9	111.5	174	-75.4	-175.4	-179.7	173.9	1	108	R17 A18 L22	R17-R20 VanDerWaalsContact CZ-NH2 3.34Å; A18-R20 PolarHBondContact O-N 2.84Å; R20-L22 PolarHBondContact O-N 3.17Å
21	G	31	Very low	32.2	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	75%	0.75	S	S	*	*			trans	-64	127.9	168.9	0	0	0	0	0	110.4	P19	P19-G21 PolarHBondContact O-N 3.48Å; P19-G21 VanDerWaalsContact O-N 3.16Å
22	L	30.4	Very low	32.9	Very low	177 Å²	177	136.3 Å²	136.3	93%	0.927	76%	0.76	S	S	*	*			trans	-67.7	123.8	154.4	-85.5	129.1	0	0	0	106.9	R20 D24	R20-L22 PolarHBondContact O-N 3.17Å; L22-D24 PolarHBondContact O-N 3.33Å; L22-D24 VanDerWaalsContact O-N 3.11Å
23	H	30.5	Very low	34	Very low	194 Å²	194	131.8 Å²	131.8	90%	0.898	73%	0.734	S	S	*	*			trans	-62.4	108.1	168.8	-89.7	-84.2	0	0	0	108.5
24	D	27.7	Very low	35.7	Very low	144 Å²	144	128.5 Å²	128.5	77%	0.77	74%	0.735	S	S	*	*			trans	-121.8	113.9	152.9	-156.7	-0.2	0	0	0	108.1	L22 S26	L22-D24 PolarHBondContact O-N 3.33Å; L22-D24 VanDerWaalsContact O-N 3.11Å; D24-S26 PolarHBondContact O-N 3.47Å
25	S	35.7	Very low	38.5	Very low	113 Å²	113	125.5 Å²	125.5	79%	0.79	71%	0.709	S	S	*	*			trans	-91.1	89.7	-176.9	51.7	0	0	0	0	108.9
26	S	30.7	Very low	41.5	Very low	99 Å²	99	121 Å²	121	69%	0.692	69%	0.685	S	S	*	*			trans	-148.2	112.1	161.3	74.2	0	0	0	0	111.8	D24	D24-S26 PolarHBondContact O-N 3.47Å
27	A	32.8	Very low	44.3	Very low	93 Å²	93	113.9 Å²	113.9	77%	0.769	65%	0.654	S	S	*	*			trans	9	142.6	156.3	0	0	0	0	0	122
28	M	30.2	Very low	47.8	Very low	176 Å²	176	105.6 Å²	105.6	87%	0.867	62%	0.623	S	S	*	*			trans	100.9	116	150.9	-52.6	-165	93.5	0	0	118.1
29	N	29.2	Very low	51.1	Low	150 Å²	150	102.4 Å²	102.4	80%	0.802	60%	0.596	S	S	*	*			trans	63.9	93.5	164.2	-67.6	-26.6	0	0	0	117.3	A31	N29-A31 PolarHBondContact O-N 3.3Å
30	A	37.1	Very low	54.3	Low	105 Å²	105	96.3 Å²	96.3	87%	0.868	56%	0.556	S	S	*	*			trans	-58.9	92.2	146.9	0	0	0	0	0	107.9	R32	A30-R32 PolarHBondContact O-N 2.86Å
31	A	36.3	Very low	57.3	Low	92 Å²	92	87.2 Å²	87.2	76%	0.76	52%	0.523	S	S	*	.			trans	-56.6	108.9	167.1	0	0	0	0	0	106.7	N29 S33	N29-A31 PolarHBondContact O-N 3.3Å; A31-S33 PolarHBondContact O-N 3.45Å
32	R	47	Very low	60.2	Low	193 Å²	193	86.4 Å²	86.4	73%	0.728	51%	0.506	S	S	*	.			trans	-43.1	127.7	167.1	-82.1	174.5	146.9	173.4	-11.7	107.4	A30 G34 E60	A30-R32 PolarHBondContact O-N 2.86Å; R32-G34 PolarHBondContact O-N 3.18Å; R32-E60 IonicContact CZ-OE1 2.6Å; R32-E60 IonicContact CZ-OE2 2.74Å; R32-E60 IonicContact NE-OE1 3.87Å; R32-E60 VanDerWaalsContact NH2-CD 3.32Å; R32-E60 IonicContact NH2-OE1 3.93Å; R32-E60 PolarHBondContact NH2-OE1 3.12Å; R32-E60 IonicContact NH2-OE2 3.6Å; R32-E60 PolarHBondContact NH2-OE2 2.85Å
33	S	56.9	Low	63	Low	40 Å²	40	81.6 Å²	81.6	28%	0.28	48%	0.484	S	S	.	.			trans	-41.9	131.2	179.8	62.4	0	0	0	0	110.5	A31 Y35 G58 A59	A31-S33 PolarHBondContact O-N 3.45Å; S33-Y35 PolarHBondContact O-N 2.9Å; S33-G58 PolarHBondContact OG-O 2.87Å; S33-A59 WeakPolarHBondContact OG-CA 3.47Å; S33-A59 WeakPolarHBondContact OG-CB 3.44Å
34	G	79.8	Confident	65.7	Low	54 Å²	54	75.8 Å²	75.8	56%	0.557	47%	0.469	S	S	*	.	S	Bend	trans	-64.9	6.7	-176	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.18Å
35	Y	89.1	Confident	68.5	Low	34 Å²	34	71.8 Å²	71.8	13%	0.133	46%	0.456	C	S	.	.			trans	-74.3	127.5	179.6	-55.9	-62.7	0	0	0	111.4	S33 L57 A59 R364 H367	S33-Y35 PolarHBondContact O-N 2.9Å; Y35-L57 HydrophobicContact CD2-CB 4.14Å; Y35-L57 HydrophobicContact CD2-CD2 4.47Å; Y35-L57 HydrophobicContact CE2-CB 4.45Å; Y35-L57 HydrophobicContact CE2-CD2 4.26Å; Y35-A59 HydrophobicContact CD2-CB 4.4Å; Y35-R364 WeakPolarHBondContact OH-CG 3.38Å; Y35-H367 HydrophobicContact CD1-CB 4.1Å; Y35-H367 AromaticContact CD1-CD2 3.77Å; Y35-H367 AromaticContact CD1-CG 3.75Å; Y35-H367 HydrophobicContact CE1-CB 3.66Å; Y35-H367 AromaticContact CE1-CD2 3.29Å; Y35-H367 WeakPolarHBondContact CE1-CD2 3.35Å; Y35-H367 AromaticContact CE1-CG 3.5Å; Y35-H367 VanDerWaalsContact CE1-CG 3.5Å
36	R	94.6	Very high	71.1	Confident	79 Å²	79	66.7 Å²	66.7	30%	0.298	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	101.3	170.4	-63.1	-55.7	-155.2	161	17	109.3	F38 E80 Q85 I87 F88	R36-F38 HydrophobicContact CB-CE2 4.46Å; R36-E80 IonicContact CZ-OE2 3.91Å; R36-E80 IonicContact NH1-OE2 3.08Å; R36-E80 PolarHBondContact NH1-OE2 3.34Å; R36-E80 IonicContact NH2-OE2 3.03Å; R36-Q85 HydrophobicContact CG-CB 4.41Å; R36-I87 HydrophobicContact CB-CD1 3.5Å; R36-I87 HydrophobicContact CG-CD1 3.99Å; R36-F88 PolarHBondContact O-N 3.34Å
37	V	97.3	Very high	74.1	Confident	0 Å²	0	63 Å²	63	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.9	-174.3	-172.4	0	0	0	0	109.2	T54 L57 L61 G62 F88 I90	V37-T54 HydrophobicContact CB-CG2 3.89Å; V37-T54 HydrophobicContact CG1-CG2 3.89Å; V37-T54 HydrophobicContact CG2-CG2 4.36Å; V37-L57 HydrophobicContact CG2-CD1 4.35Å; V37-L61 HydrophobicContact CG1-CD2 4.24Å; V37-L61 CarbonylContact O-C 3.57Å; V37-L61 WeakPolarHBondContact O-CA 3.42Å; V37-G62 PolarHBondContact O-N 2.81Å; V37-F88 CarbonylContact C-O 3.57Å; V37-F88 WeakPolarHBondContact CA-O 3.43Å; V37-F88 HydrophobicContact CG1-CB 4.43Å; V37-F88 HydrophobicContact CG2-CB 4.31Å; V37-I90 HydrophobicContact CG1-CD1 3.39Å; V37-I90 HydrophobicContact CG1-CG1 3.79Å
38	F	97.9	Very high	77.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	176.1	-67.1	-96.2	0	0	0	109.9	R36 I78 E80 V82 I87 F88 I89 I90 M107 L111	R36-F38 HydrophobicContact CB-CE2 4.46Å; F38-I78 HydrophobicContact CD1-CD1 4.43Å; F38-I78 HydrophobicContact CE1-CD1 4.48Å; F38-I78 HydrophobicContact CE1-CG2 3.96Å; F38-I78 HydrophobicContact CZ-CG2 4.14Å; F38-E80 HydrophobicContact CE1-CG 4.26Å; F38-E80 HydrophobicContact CZ-CG 3.92Å; F38-V82 HydrophobicContact CE2-CG1 3.94Å; F38-V82 HydrophobicContact CZ-CG1 3.75Å; F38-I87 HydrophobicContact CD2-CG2 3.46Å; F38-I87 VanDerWaalsContact CD2-CG2 3.46Å; F38-I87 HydrophobicContact CE2-CD1 4.39Å; F38-I87 HydrophobicContact CE2-CG2 3.72Å; F38-F88 PolarHBondContact N-O 3.31Å; F38-I89 CarbonylContact O-C 3.43Å; F38-I90 PolarHBondContact O-N 3.02Å; F38-M107 HydrophobicContact CB-SD 3.93Å; F38-L111 HydrophobicContact CE2-CD2 4.4Å
39	S	97.8	Very high	80.3	Confident	11 Å²	11	54.1 Å²	54.1	8%	0.077	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.5	167.9	174.3	0	0	0	0	108.3	N41 I90 M107	S39-N41 VanDerWaalsContact C-N 3.3Å; S39-N41 PolarHBondContact OG-N 3.45Å; S39-I90 WeakPolarHBondContact CA-O 3.47Å; S39-M107 WeakPolarHBondContact O-CE 3.13Å
40	A	96.8	Very high	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	30%	0.297	C	S	.	.			trans	-80.7	-12.5	175.6	0	0	0	0	0	113	V66 I89 I90 Q91 E103 M107	A40-V66 WeakPolarHBondContact O-CG1 3.44Å; A40-I89 HydrophobicContact CB-CG2 3.73Å; A40-I90 PolarHBondContact N-O 2.77Å; A40-Q91 HydrophobicContact CB-CB 4.41Å; A40-Q91 HydrophobicContact CB-CG 4.46Å; A40-Q91 VanDerWaalsContact CB-OE1 3.31Å; A40-E103 WeakPolarHBondContact O-CB 3.01Å; A40-M107 HydrophobicContact CB-CB 4.36Å; A40-M107 HydrophobicContact CB-CE 4.12Å; A40-M107 HydrophobicContact CB-SD 3.71Å
41	N	95.5	Very high	86.3	Confident	9 Å²	9	46 Å²	46	5%	0.048	27%	0.273	C	S	.	.			trans	-69.6	132.3	-178.9	-68.3	119.4	0	0	0	112.9	S39 C46 T47 Q91 T92	S39-N41 VanDerWaalsContact C-N 3.3Å; S39-N41 PolarHBondContact OG-N 3.45Å; N41-C46 HydrophobicContact CB-CB 3.64Å; N41-C46 VanDerWaalsContact CG-CB 3.49Å; N41-C46 PolarHBondContact OD1-O 2.92Å; N41-T47 HydrophobicContact CB-CG2 4.21Å; N41-Q91 PolarHBondContact ND2-OE1 3.29Å; N41-Q91 PolarHBondContact OD1-OE1 3.42Å; N41-T92 PolarHBondContact ND2-O 2.69Å; N41-T92 PolarHBondContact OD1-N 2.99Å; N41-T92 PolarHBondContact OD1-OG1 3.3Å
42	S	90	Very high	89.2	Confident	51 Å²	51	45.3 Å²	45.3	36%	0.357	25%	0.251	S	S	.	.	S	Bend	trans	-76.6	-30.2	171.3	52.2	0	0	0	0	114.2	E103	S42-E103 WeakPolarHBondContact CB-OE1 3.34Å; S42-E103 PolarHBondContact N-OE1 2.72Å; S42-E103 PolarHBondContact OG-OE1 2.94Å
43	T	90.1	Very high	91.6	Very high	76 Å²	76	36.1 Å²	36.1	47%	0.466	22%	0.216	S	C	.	.	S	Bend	trans	-92.1	131.9	-174.5	-58.9	0	0	0	0	111.8	A45 C46 T47	T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 HydrophobicContact CG2-CB 4.36Å; T43-A45 PolarHBondContact O-N 2.73Å; T43-C46 WeakPolarHBondContact O-CB 3.44Å; T43-C46 PolarHBondContact O-N 3.11Å; T43-T47 PolarHBondContact O-N 2.72Å
44	A	86.8	Confident	93.5	Very high	72 Å²	72	34.6 Å²	34.6	60%	0.595	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-55.7	-40.6	-177.2	0	0	0	0	0	113.9	C46 T47	A44-C46 PolarHBondContact O-N 2.78Å; A44-T47 PolarHBondContact O-N 2.87Å; A44-T47 PolarHBondContact O-OG1 3.41Å
45	A	86.9	Confident	94.3	Very high	60 Å²	60	38.8 Å²	38.8	50%	0.496	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.6	-31.3	177.5	0	0	0	0	0	113	T43 T47	T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 HydrophobicContact CG2-CB 4.36Å; T43-A45 PolarHBondContact O-N 2.73Å; A45-T47 VanDerWaalsContact C-N 3.31Å
46	C	90.6	Very high	94.5	Very high	7 Å²	7	43 Å²	43	5%	0.047	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-80.1	-15.3	178.6	-60.5	0	0	0	0	112.6	N41 T43 A44 E48 T92 P339	N41-C46 HydrophobicContact CB-CB 3.64Å; N41-C46 VanDerWaalsContact CG-CB 3.49Å; N41-C46 PolarHBondContact OD1-O 2.92Å; T43-C46 WeakPolarHBondContact O-CB 3.44Å; T43-C46 PolarHBondContact O-N 3.11Å; A44-C46 PolarHBondContact O-N 2.78Å; C46-E48 VanDerWaalsContact C-N 3.34Å; C46-T92 WeakPolarHBondContact CB-OG1 3.35Å; C46-T92 PolarHBondContact O-OG1 3.18Å; C46-P339 HydrophobicContact CB-CG 4.19Å
47	T	93.8	Very high	94.5	Very high	20 Å²	20	40.2 Å²	40.2	12%	0.123	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-83.2	-8.2	175.9	69.7	0	0	0	0	113.6	N41 T43 A44 A45 L49 A50 K51	N41-T47 HydrophobicContact CB-CG2 4.21Å; T43-T47 PolarHBondContact O-N 2.72Å; A44-T47 PolarHBondContact O-N 2.87Å; A44-T47 PolarHBondContact O-OG1 3.41Å; A45-T47 VanDerWaalsContact C-N 3.31Å; T47-L49 PolarHBondContact O-N 3.2Å; T47-A50 WeakPolarHBondContact O-CB 3.38Å; T47-A50 PolarHBondContact O-N 3.33Å; T47-A50 VanDerWaalsContact O-N 3.13Å; T47-K51 WeakPolarHBondContact O-CG 3.29Å; T47-K51 PolarHBondContact O-N 3.29Å; T47-K51 WeakPolarHBondContact OG1-CE 3.36Å
48	E	95.2	Very high	94.4	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-46.7	-174.3	178.2	59.5	-164.7	0	0	112.4	C46 A50 K51 R52	C46-E48 VanDerWaalsContact C-N 3.34Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.29Å; E48-K51 PolarHBondContact O-N 2.98Å; E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.12Å; E48-R52 IonicContact OE1-CZ 2.72Å; E48-R52 VanDerWaalsContact OE1-CZ 3.31Å; E48-R52 IonicContact OE1-NE 3.59Å; E48-R52 PolarHBondContact OE1-NE 3.43Å; E48-R52 IonicContact OE1-NH2 3.63Å; E48-R52 PolarHBondContact OE1-NH2 3.42Å
49	L	96.8	Very high	94.1	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-39.4	178	-179.7	61.6	0	0	0	111.7	T47 K51 R52 I53 T92 P124 I355 L359	T47-L49 PolarHBondContact O-N 3.2Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.82Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.36Å; L49-I53 HydrophobicContact CG-CD1 3.85Å; L49-I53 WeakPolarHBondContact O-CD1 3.37Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.94Å; L49-T92 HydrophobicContact CB-CG2 4.1Å; L49-T92 HydrophobicContact CD2-CG2 3.88Å; L49-P124 HydrophobicContact CD2-CB 4.25Å; L49-P124 HydrophobicContact CD2-CG 3.63Å; L49-I355 HydrophobicContact CD1-CD1 3.9Å; L49-I355 HydrophobicContact CD2-CD1 4.14Å; L49-L359 HydrophobicContact CD1-CD1 4.31Å; L49-L359 HydrophobicContact CD2-CD1 3.92Å; L49-L359 HydrophobicContact CG-CD1 4.39Å
50	A	97.1	Very high	94	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-42.4	177.7	0	0	0	0	0	111.4	T47 E48 I53 T54 L61 I90	T47-A50 WeakPolarHBondContact O-CB 3.38Å; T47-A50 PolarHBondContact O-N 3.33Å; T47-A50 VanDerWaalsContact O-N 3.13Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.29Å; A50-I53 PolarHBondContact O-N 3.45Å; A50-T54 PolarHBondContact O-N 2.85Å; A50-T54 PolarHBondContact O-OG1 2.86Å; A50-T54 VanDerWaalsContact O-OG1 3.11Å; A50-L61 HydrophobicContact CB-CD1 4.48Å; A50-L61 HydrophobicContact CB-CD2 4.08Å; A50-I90 HydrophobicContact CB-CB 3.95Å; A50-I90 HydrophobicContact CB-CD1 3.89Å; A50-I90 HydrophobicContact CB-CG1 4.49Å; A50-I90 HydrophobicContact CB-CG2 3.87Å
51	K	96.6	Very high	93.9	Very high	85 Å²	85	51.7 Å²	51.7	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-49.8	175.4	-69.5	177	-173.8	172.5	0	111.9	T47 E48 L49 I53 T54 E55 L61	T47-K51 WeakPolarHBondContact O-CG 3.29Å; T47-K51 PolarHBondContact O-N 3.29Å; T47-K51 WeakPolarHBondContact OG1-CE 3.36Å; E48-K51 PolarHBondContact O-N 2.98Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 2.82Å; K51-I53 VanDerWaalsContact C-N 3.29Å; K51-I53 PolarHBondContact O-N 3.01Å; K51-T54 WeakPolarHBondContact CA-OG1 3.34Å; K51-T54 PolarHBondContact O-N 3.35Å; K51-T54 VanDerWaalsContact O-N 3.12Å; K51-T54 PolarHBondContact O-OG1 3.02Å; K51-E55 WeakPolarHBondContact O-CG 3.32Å; K51-E55 PolarHBondContact O-N 3.21Å; K51-L61 HydrophobicContact CG-CD1 3.87Å
52	R	97.1	Very high	93.9	Very high	76 Å²	76	51.9 Å²	51.9	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-40.1	177.7	-69.1	-177	-171.8	-173.5	4.4	112.6	E48 L49 E55 R56 D354	E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.12Å; E48-R52 IonicContact OE1-CZ 2.72Å; E48-R52 VanDerWaalsContact OE1-CZ 3.31Å; E48-R52 IonicContact OE1-NE 3.59Å; E48-R52 PolarHBondContact OE1-NE 3.43Å; E48-R52 IonicContact OE1-NH2 3.63Å; E48-R52 PolarHBondContact OE1-NH2 3.42Å; L49-R52 PolarHBondContact O-N 3.23Å; R52-E55 PolarHBondContact O-N 3.4Å; R52-R56 WeakPolarHBondContact O-CG 3.34Å; R52-R56 PolarHBondContact O-N 3.11Å; R52-R56 VanDerWaalsContact O-N 3.11Å; R52-D354 IonicContact NH1-OD1 3.94Å
53	I	97.2	Very high	94.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-47	175.9	-71.9	164.2	0	0	0	110.4	L49 A50 K51 E55 R56 L57 I90 L359 I363	L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.36Å; L49-I53 HydrophobicContact CG-CD1 3.85Å; L49-I53 WeakPolarHBondContact O-CD1 3.37Å; L49-I53 VanDerWaalsContact O-CG1 3.27Å; L49-I53 WeakPolarHBondContact O-CG1 3.44Å; L49-I53 PolarHBondContact O-N 2.94Å; A50-I53 PolarHBondContact O-N 3.45Å; K51-I53 VanDerWaalsContact C-N 3.29Å; K51-I53 PolarHBondContact O-N 3.01Å; I53-E55 PolarHBondContact O-N 3.24Å; I53-R56 PolarHBondContact O-N 3.44Å; I53-L57 HydrophobicContact CG2-CD1 3.94Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 3.5Å; I53-I90 HydrophobicContact CB-CD1 4.01Å; I53-I90 HydrophobicContact CD1-CD1 3.85Å; I53-I90 HydrophobicContact CG2-CD1 3.83Å; I53-L359 HydrophobicContact CD1-CB 3.74Å; I53-L359 HydrophobicContact CD1-CD1 3.72Å; I53-L359 HydrophobicContact CD1-CG 4.39Å; I53-L359 HydrophobicContact CG1-CB 4.09Å; I53-I363 HydrophobicContact CG2-CD1 3.54Å
54	T	96.3	Very high	94.4	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-38.2	178.6	48.3	0	0	0	0	113.1	V37 A50 K51 R56 L57 G58 A59 L61	V37-T54 HydrophobicContact CB-CG2 3.89Å; V37-T54 HydrophobicContact CG1-CG2 3.89Å; V37-T54 HydrophobicContact CG2-CG2 4.36Å; A50-T54 PolarHBondContact O-N 2.85Å; A50-T54 PolarHBondContact O-OG1 2.86Å; A50-T54 VanDerWaalsContact O-OG1 3.11Å; K51-T54 WeakPolarHBondContact CA-OG1 3.34Å; K51-T54 PolarHBondContact O-N 3.35Å; K51-T54 VanDerWaalsContact O-N 3.12Å; K51-T54 PolarHBondContact O-OG1 3.02Å; T54-R56 VanDerWaalsContact C-N 3.34Å; T54-R56 PolarHBondContact O-N 3.31Å; T54-L57 CarbonylContact O-C 3.52Å; T54-L57 PolarHBondContact O-N 3.17Å; T54-G58 PolarHBondContact O-N 3.5Å; T54-A59 CarbonylContact C-O 3.59Å; T54-A59 WeakPolarHBondContact CB-O 3.34Å; T54-A59 PolarHBondContact O-N 3Å; T54-L61 HydrophobicContact CG2-CD2 3.61Å; T54-L61 HydrophobicContact CG2-CG 3.92Å
55	E	95.9	Very high	94.9	Very high	143 Å²	143	53.9 Å²	53.9	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-43.7	174.5	-74.6	169.9	-171.5	0	0	111.5	K51 R52 I53 L57 G58	K51-E55 WeakPolarHBondContact O-CG 3.32Å; K51-E55 PolarHBondContact O-N 3.21Å; R52-E55 PolarHBondContact O-N 3.4Å; I53-E55 PolarHBondContact O-N 3.24Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.42Å; E55-G58 PolarHBondContact O-N 3.35Å
56	R	95	Very high	95.3	Very high	121 Å²	121	52 Å²	52	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-32.4	176.4	-70.7	-178.8	-177	-73.7	3.3	113.2	R52 I53 T54 G58 D354 S356	R52-R56 WeakPolarHBondContact O-CG 3.34Å; R52-R56 PolarHBondContact O-N 3.11Å; R52-R56 VanDerWaalsContact O-N 3.11Å; I53-R56 PolarHBondContact O-N 3.44Å; T54-R56 VanDerWaalsContact C-N 3.34Å; T54-R56 PolarHBondContact O-N 3.31Å; R56-G58 VanDerWaalsContact C-N 3.29Å; R56-D354 IonicContact CZ-OD2 3.35Å; R56-D354 IonicContact NE-OD2 3.96Å; R56-D354 IonicContact NH2-OD2 3.52Å; R56-D354 PolarHBondContact NH2-OD2 3.22Å; R56-S356 PolarHBondContact NE-OG 3.28Å
57	L	94.2	Very high	95.5	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-79	-11.1	175.8	-70.2	172.1	0	0	0	113.2	Y35 V37 I53 T54 E55 A59 S360 I363 R364	Y35-L57 HydrophobicContact CD2-CB 4.14Å; Y35-L57 HydrophobicContact CD2-CD2 4.47Å; Y35-L57 HydrophobicContact CE2-CB 4.45Å; Y35-L57 HydrophobicContact CE2-CD2 4.26Å; V37-L57 HydrophobicContact CG2-CD1 4.35Å; I53-L57 HydrophobicContact CG2-CD1 3.94Å; I53-L57 WeakPolarHBondContact O-CG 3.36Å; I53-L57 PolarHBondContact O-N 3.5Å; T54-L57 CarbonylContact O-C 3.52Å; T54-L57 PolarHBondContact O-N 3.17Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.42Å; L57-A59 HydrophobicContact CB-CB 4.1Å; L57-A59 PolarHBondContact O-N 3.07Å; L57-S360 WeakPolarHBondContact CD2-O 3.39Å; L57-I363 HydrophobicContact CD1-CB 4.29Å; L57-I363 HydrophobicContact CD1-CD1 4.33Å; L57-I363 HydrophobicContact CD1-CG2 3.75Å; L57-R364 HydrophobicContact CD2-CB 4.12Å
58	G	93.8	Very high	95.5	Very high	61 Å²	61	59.2 Å²	59.2	63%	0.629	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	29	-169.4	0	0	0	0	0	112.9	S33 T54 E55 R56	S33-G58 PolarHBondContact OG-O 2.87Å; T54-G58 PolarHBondContact O-N 3.5Å; E55-G58 PolarHBondContact O-N 3.35Å; R56-G58 VanDerWaalsContact C-N 3.29Å
59	A	93.6	Very high	95.5	Very high	14 Å²	14	58.1 Å²	58.1	12%	0.116	29%	0.291	C	S	.	.			trans	-111	163.8	-177.6	0	0	0	0	0	111.6	S33 Y35 T54 L57	S33-A59 WeakPolarHBondContact OG-CA 3.47Å; S33-A59 WeakPolarHBondContact OG-CB 3.44Å; Y35-A59 HydrophobicContact CD2-CB 4.4Å; T54-A59 CarbonylContact C-O 3.59Å; T54-A59 WeakPolarHBondContact CB-O 3.34Å; T54-A59 PolarHBondContact O-N 3Å; L57-A59 HydrophobicContact CB-CB 4.1Å; L57-A59 PolarHBondContact O-N 3.07Å
60	E	94.3	Very high	95.4	Very high	127 Å²	127	65.1 Å²	65.1	59%	0.593	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-103.9	148.9	168.7	-70.2	171.7	-150.3	0	0	109.3	R32	R32-E60 IonicContact CZ-OE1 2.6Å; R32-E60 IonicContact CZ-OE2 2.74Å; R32-E60 IonicContact NE-OE1 3.87Å; R32-E60 VanDerWaalsContact NH2-CD 3.32Å; R32-E60 IonicContact NH2-OE1 3.93Å; R32-E60 PolarHBondContact NH2-OE1 3.12Å; R32-E60 IonicContact NH2-OE2 3.6Å; R32-E60 PolarHBondContact NH2-OE2 2.85Å
61	L	96	Very high	95.3	Very high	51 Å²	51	70 Å²	70	27%	0.267	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-64.3	136.9	168.5	-74.6	171.1	0	0	0	109.9	V37 A50 K51 T54	V37-L61 HydrophobicContact CG1-CD2 4.24Å; V37-L61 CarbonylContact O-C 3.57Å; V37-L61 WeakPolarHBondContact O-CA 3.42Å; A50-L61 HydrophobicContact CB-CD1 4.48Å; A50-L61 HydrophobicContact CB-CD2 4.08Å; K51-L61 HydrophobicContact CG-CD1 3.87Å; T54-L61 HydrophobicContact CG2-CD2 3.61Å; T54-L61 HydrophobicContact CG2-CG 3.92Å
62	G	94.8	Very high	95.1	Very high	13 Å²	13	68 Å²	68	13%	0.134	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-61	147.6	174.8	0	0	0	0	0	111.5	V37 S64 E80	V37-G62 PolarHBondContact O-N 2.81Å; G62-S64 PolarHBondContact O-N 3.28Å; G62-E80 WeakPolarHBondContact CA-OE1 3.3Å
63	K	95.6	Very high	95.1	Very high	144 Å²	144	69.9 Å²	69.9	63%	0.626	38%	0.375	S	S	*	.			trans	-76.5	105.9	-178.7	-60.9	-178.4	-178.6	-179.4	0	109.1	K79 E80	K63-K79 HydrophobicContact CB-CB 3.91Å; K63-K79 WeakPolarHBondContact O-CA 3.46Å; K63-K79 WeakPolarHBondContact O-CB 3.23Å; K63-K79 PolarHBondContact O-N 3.43Å; K63-E80 PolarHBondContact N-OE1 3.45Å
64	S	95.6	Very high	95.2	Very high	34 Å²	34	70.9 Å²	70.9	24%	0.238	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.3	172.2	55.1	0	0	0	0	111	G62 E77	G62-S64 PolarHBondContact O-N 3.28Å; S64-E77 CarbonylContact C-O 3.56Å; S64-E77 VanDerWaalsContact CA-O 3.23Å; S64-E77 WeakPolarHBondContact CA-O 3.39Å
65	V	95.6	Very high	95.2	Very high	62 Å²	62	76.7 Å²	76.7	38%	0.376	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	172.5	-170	0	0	0	0	107.7	Y67 V76 E77 K79	V65-Y67 HydrophobicContact CG1-CD1 3.8Å; V65-Y67 HydrophobicContact CG1-CE1 4.3Å; V65-V76 CarbonylContact O-C 3.58Å; V65-V76 WeakPolarHBondContact O-CA 3.47Å; V65-E77 PolarHBondContact N-O 3.5Å; V65-E77 PolarHBondContact O-N 3.07Å; V65-K79 HydrophobicContact CG2-CG 4.16Å
66	V	96.4	Very high	95.3	Very high	20 Å²	20	71 Å²	71	12%	0.121	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.4	174.4	-173.1	0	0	0	0	108.2	A40 R75 V76 E103 M107	A40-V66 WeakPolarHBondContact O-CG1 3.44Å; V66-R75 WeakPolarHBondContact CA-O 3.22Å; V66-V76 HydrophobicContact CG1-CG2 4.11Å; V66-V76 HydrophobicContact CG2-CG1 4.22Å; V66-V76 HydrophobicContact CG2-CG2 4.22Å; V66-E103 HydrophobicContact CG1-CB 4.33Å; V66-E103 HydrophobicContact CG1-CG 3.77Å; V66-M107 HydrophobicContact CG2-CE 3.53Å
67	Y	93.9	Very high	95.4	Very high	85 Å²	85	69.8 Å²	69.8	33%	0.333	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.1	-178.5	68.5	-80	0	0	0	111.2	V65 E69 R75	V65-Y67 HydrophobicContact CG1-CD1 3.8Å; V65-Y67 HydrophobicContact CG1-CE1 4.3Å; Y67-E69 HydrophobicContact CE2-CG 4.14Å; Y67-E69 WeakPolarHBondContact CE2-OE1 3.3Å; Y67-E69 PolarHBondContact OH-OE1 2.75Å; Y67-R75 HydrophobicContact CD1-CB 4.32Å; Y67-R75 HydrophobicContact CE1-CB 3.84Å; Y67-R75 HydrophobicContact CE2-CB 4.34Å; Y67-R75 PolarHBondContact N-O 3.39Å; Y67-R75 VanDerWaalsContact N-O 3.07Å; Y67-R75 PolarHBondContact O-N 2.81Å; Y67-R75 WeakPolarHBondContact OH-CD 3.38Å
68	Q	94.3	Very high	95.6	Very high	94 Å²	94	70.2 Å²	70.2	44%	0.439	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.9	169.8	-75.7	-172.8	-30.1	0	0	110.3	E73 T99	Q68-E73 CarbonylContact C-O 3.56Å; Q68-E73 WeakPolarHBondContact CA-O 3.33Å; Q68-T99 HydrophobicContact CG-CG2 4.39Å; Q68-T99 PolarHBondContact NE2-OG1 2.84Å; Q68-T99 VanDerWaalsContact NE2-OG1 3.08Å
69	E	94.6	Very high	95.7	Very high	53 Å²	53	72.4 Å²	72.4	25%	0.248	37%	0.371	C	S	.	.			trans	-70.8	165.7	169.6	-69	-70.8	174.9	0	0	110.5	Y67 N71 G72 E73 R75	Y67-E69 HydrophobicContact CE2-CG 4.14Å; Y67-E69 WeakPolarHBondContact CE2-OE1 3.3Å; Y67-E69 PolarHBondContact OH-OE1 2.75Å; E69-N71 VanDerWaalsContact CB-OD1 3.25Å; E69-N71 WeakPolarHBondContact CB-OD1 3.5Å; E69-N71 PolarHBondContact O-N 2.75Å; E69-N71 VanDerWaalsContact O-N 3.1Å; E69-G72 PolarHBondContact O-N 3.18Å; E69-E73 PolarHBondContact N-O 3.11Å; E69-R75 HydrophobicContact CG-CG 3.91Å; E69-R75 WeakPolarHBondContact OE1-CD 3.37Å; E69-R75 IonicContact OE1-CZ 3.81Å; E69-R75 VanDerWaalsContact OE1-CZ 3.28Å; E69-R75 IonicContact OE1-NE 2.95Å; E69-R75 PolarHBondContact OE1-NE 2.82Å; E69-R75 VanDerWaalsContact OE1-NE 3.1Å; E69-R75 IonicContact OE1-NH1 2.72Å; E69-R75 PolarHBondContact OE1-NH1 2.66Å
70	T	94.6	Very high	95.8	Very high	154 Å²	154	74.1 Å²	74.1	95%	0.945	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.5	-177.9	53.4	0	0	0	0	114
71	N	95.4	Very high	95.8	Very high	104 Å²	104	72.2 Å²	72.2	56%	0.556	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	0.2	174.7	66.4	-5.1	0	0	0	113.7	E69 E73	E69-N71 VanDerWaalsContact CB-OD1 3.25Å; E69-N71 WeakPolarHBondContact CB-OD1 3.5Å; E69-N71 PolarHBondContact O-N 2.75Å; E69-N71 VanDerWaalsContact O-N 3.1Å; N71-E73 PolarHBondContact ND2-OE2 3.2Å; N71-E73 VanDerWaalsContact ND2-OE2 3.13Å; N71-E73 WeakPolarHBondContact OD1-CB 3.47Å; N71-E73 PolarHBondContact OD1-N 2.65Å
72	G	93.4	Very high	95.8	Very high	42 Å²	42	69.9 Å²	69.9	43%	0.433	37%	0.366	S	S	.	.	S	Bend	trans	86.8	-0.1	-178.4	0	0	0	0	0	115	E69	E69-G72 PolarHBondContact O-N 3.18Å
73	E	97.3	Very high	95.8	Very high	116 Å²	116	77.7 Å²	77.7	54%	0.542	39%	0.391	S	S	.	.			trans	-70.8	138.3	175	-69.1	178.8	164.5	0	0	111.2	Q68 E69 N71	Q68-E73 CarbonylContact C-O 3.56Å; Q68-E73 WeakPolarHBondContact CA-O 3.33Å; E69-E73 PolarHBondContact N-O 3.11Å; N71-E73 PolarHBondContact ND2-OE2 3.2Å; N71-E73 VanDerWaalsContact ND2-OE2 3.13Å; N71-E73 WeakPolarHBondContact OD1-CB 3.47Å; N71-E73 PolarHBondContact OD1-N 2.65Å
74	T	97.6	Very high	95.8	Very high	21 Å²	21	72.2 Å²	72.2	13%	0.129	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.5	177.4	-59.6	0	0	0	0	110.5	E103 I106	T74-E103 HydrophobicContact CG2-CB 4.26Å; T74-E103 HydrophobicContact CG2-CG 3.52Å; T74-I106 HydrophobicContact CG2-CD1 4Å; T74-I106 WeakPolarHBondContact O-CD1 3.36Å
75	R	97.4	Very high	95.8	Very high	131 Å²	131	73.8 Å²	73.8	49%	0.494	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.1	171.6	-72.1	-160.6	-177.4	-171.7	-1.1	111.8	V66 Y67 E69	V66-R75 WeakPolarHBondContact CA-O 3.22Å; Y67-R75 HydrophobicContact CD1-CB 4.32Å; Y67-R75 HydrophobicContact CE1-CB 3.84Å; Y67-R75 HydrophobicContact CE2-CB 4.34Å; Y67-R75 PolarHBondContact N-O 3.39Å; Y67-R75 VanDerWaalsContact N-O 3.07Å; Y67-R75 PolarHBondContact O-N 2.81Å; Y67-R75 WeakPolarHBondContact OH-CD 3.38Å; E69-R75 HydrophobicContact CG-CG 3.91Å; E69-R75 WeakPolarHBondContact OE1-CD 3.37Å; E69-R75 IonicContact OE1-CZ 3.81Å; E69-R75 VanDerWaalsContact OE1-CZ 3.28Å; E69-R75 IonicContact OE1-NE 2.95Å; E69-R75 PolarHBondContact OE1-NE 2.82Å; E69-R75 VanDerWaalsContact OE1-NE 3.1Å; E69-R75 IonicContact OE1-NH1 2.72Å; E69-R75 PolarHBondContact OE1-NH1 2.66Å
76	V	97.9	Very high	95.8	Very high	23 Å²	23	72.6 Å²	72.6	14%	0.139	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.7	175.8	-178.9	0	0	0	0	108.6	V65 V66 I78 I106 M107	V65-V76 CarbonylContact O-C 3.58Å; V65-V76 WeakPolarHBondContact O-CA 3.47Å; V66-V76 HydrophobicContact CG1-CG2 4.11Å; V66-V76 HydrophobicContact CG2-CG1 4.22Å; V66-V76 HydrophobicContact CG2-CG2 4.22Å; V76-I78 HydrophobicContact CG1-CD1 4.09Å; V76-I106 HydrophobicContact CB-CG2 3.88Å; V76-I106 HydrophobicContact CG2-CB 4.08Å; V76-I106 HydrophobicContact CG2-CG2 3.76Å; V76-M107 HydrophobicContact CG1-CB 3.97Å; V76-M107 HydrophobicContact CG1-CE 3.65Å; V76-M107 HydrophobicContact CG1-CG 4.16Å; V76-M107 HydrophobicContact CG2-CB 4.37Å
77	E	96.9	Very high	95.8	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121	174.6	-159	-173	156.3	0	0	110.4	S64 V65 K79	S64-E77 CarbonylContact C-O 3.56Å; S64-E77 VanDerWaalsContact CA-O 3.23Å; S64-E77 WeakPolarHBondContact CA-O 3.39Å; V65-E77 PolarHBondContact N-O 3.5Å; V65-E77 PolarHBondContact O-N 3.07Å; E77-K79 HydrophobicContact CG-CD 4.36Å; E77-K79 WeakPolarHBondContact OE1-CE 3.3Å; E77-K79 IonicContact OE1-NZ 3.57Å; E77-K79 PolarHBondContact OE1-NZ 2.75Å; E77-K79 VanDerWaalsContact OE2-CE 3.22Å; E77-K79 WeakPolarHBondContact OE2-CE 3.34Å; E77-K79 IonicContact OE2-NZ 3.11Å; E77-K79 PolarHBondContact OE2-NZ 2.87Å
78	I	97.4	Very high	96.1	Very high	31 Å²	31	67.7 Å²	67.7	16%	0.159	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	176	-50.7	-57.8	0	0	0	108.2	F38 V76 E80 V82 M107 A110 L111	F38-I78 HydrophobicContact CD1-CD1 4.43Å; F38-I78 HydrophobicContact CE1-CD1 4.48Å; F38-I78 HydrophobicContact CE1-CG2 3.96Å; F38-I78 HydrophobicContact CZ-CG2 4.14Å; V76-I78 HydrophobicContact CG1-CD1 4.09Å; I78-E80 WeakPolarHBondContact CG2-O 3.33Å; I78-V82 HydrophobicContact CG2-CG1 4.1Å; I78-M107 HydrophobicContact CD1-CE 4.42Å; I78-M107 HydrophobicContact CD1-CG 4.25Å; I78-A110 HydrophobicContact CG1-CB 4.31Å; I78-L111 HydrophobicContact CD1-CD2 4.2Å; I78-L111 HydrophobicContact CD1-CG 4.41Å; I78-L111 HydrophobicContact CG1-CD2 4.14Å; I78-L111 HydrophobicContact CG1-CG 4.48Å; I78-L111 HydrophobicContact CG2-CD2 4.39Å
79	K	96.9	Very high	96.3	Very high	106 Å²	106	63.2 Å²	63.2	46%	0.461	33%	0.329	S	S	.	.			trans	-98.1	12.8	-172.5	-60.3	-68.8	-172.8	175.7	0	113.3	K63 V65 E77	K63-K79 HydrophobicContact CB-CB 3.91Å; K63-K79 WeakPolarHBondContact O-CA 3.46Å; K63-K79 WeakPolarHBondContact O-CB 3.23Å; K63-K79 PolarHBondContact O-N 3.43Å; V65-K79 HydrophobicContact CG2-CG 4.16Å; E77-K79 HydrophobicContact CG-CD 4.36Å; E77-K79 WeakPolarHBondContact OE1-CE 3.3Å; E77-K79 IonicContact OE1-NZ 3.57Å; E77-K79 PolarHBondContact OE1-NZ 2.75Å; E77-K79 VanDerWaalsContact OE2-CE 3.22Å; E77-K79 WeakPolarHBondContact OE2-CE 3.34Å; E77-K79 IonicContact OE2-NZ 3.11Å; E77-K79 PolarHBondContact OE2-NZ 2.87Å
80	E	95.1	Very high	96.5	Very high	50 Å²	50	60.7 Å²	60.7	23%	0.234	32%	0.317	C	S	.	.	S	Bend	trans	-145.4	160.8	176.7	69	-179.8	115.5	0	0	112.6	R36 F38 G62 K63 I78	R36-E80 IonicContact CZ-OE2 3.91Å; R36-E80 IonicContact NH1-OE2 3.08Å; R36-E80 PolarHBondContact NH1-OE2 3.34Å; R36-E80 IonicContact NH2-OE2 3.03Å; F38-E80 HydrophobicContact CE1-CG 4.26Å; F38-E80 HydrophobicContact CZ-CG 3.92Å; G62-E80 WeakPolarHBondContact CA-OE1 3.3Å; K63-E80 PolarHBondContact N-OE1 3.45Å; I78-E80 WeakPolarHBondContact CG2-O 3.33Å
81	S	95.1	Very high	96.6	Very high	88 Å²	88	53.3 Å²	53.3	62%	0.615	27%	0.272	S	S	*	.			trans	-75	129.6	179	-176.2	0	0	0	0	111.6	Q85	S81-Q85 PolarHBondContact O-OE1 3.42Å
82	V	96.1	Very high	96.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.246	C	C	.	.			trans	-118	7.3	179.1	-63.5	0	0	0	0	112.9	F38 I78 G84 Q85 I87 L111	F38-V82 HydrophobicContact CE2-CG1 3.94Å; F38-V82 HydrophobicContact CZ-CG1 3.75Å; I78-V82 HydrophobicContact CG2-CG1 4.1Å; V82-G84 PolarHBondContact O-N 2.97Å; V82-Q85 PolarHBondContact O-N 2.99Å; V82-I87 HydrophobicContact CB-CD1 3.84Å; V82-I87 HydrophobicContact CB-CG1 4.27Å; V82-I87 HydrophobicContact CG1-CD1 3.94Å; V82-L111 HydrophobicContact CB-CD2 4.1Å; V82-L111 HydrophobicContact CG1-CD2 3.75Å; V82-L111 HydrophobicContact CG2-CD2 3.83Å
83	R	95.4	Very high	96.8	Very high	176 Å²	176	46.9 Å²	46.9	66%	0.664	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	124.9	-172.6	178.9	179.9	-68.5	-100.3	-1.8	111.4	Q85 C115	R83-Q85 PolarHBondContact O-N 3.45Å; R83-C115 HydrophobicContact CG-CB 4.22Å
84	G	94.5	Very high	96.5	Very high	30 Å²	30	43.2 Å²	43.2	31%	0.309	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	11.5	176.3	0	0	0	0	0	114.6	V82 C115 R117	V82-G84 PolarHBondContact O-N 2.97Å; G84-C115 PolarHBondContact N-O 3.26Å; G84-R117 VanDerWaalsContact O-CZ 3.27Å; G84-R117 PolarHBondContact O-NE 3.01Å; G84-R117 PolarHBondContact O-NH2 2.87Å
85	Q	94.8	Very high	96.1	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	25%	0.249	S	C	.	.			trans	-100.4	156.4	-179.6	-61.9	-172.2	-30	0	0	111.5	R36 S81 V82 R83 I87 R117	R36-Q85 HydrophobicContact CG-CB 4.41Å; S81-Q85 PolarHBondContact O-OE1 3.42Å; V82-Q85 PolarHBondContact O-N 2.99Å; R83-Q85 PolarHBondContact O-N 3.45Å; Q85-I87 HydrophobicContact CB-CD1 3.84Å; Q85-R117 PolarHBondContact O-N 3.03Å
86	D	96	Very high	95.9	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.203	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.9	173	-59.3	-41.8	0	0	0	109	R117 N118	D86-R117 WeakPolarHBondContact OD1-CD 3.26Å; D86-N118 HydrophobicContact CB-CB 4.39Å; D86-N118 WeakPolarHBondContact OD1-CB 3.46Å; D86-N118 PolarHBondContact OD1-ND2 3.36Å
87	I	97.9	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	-169.4	-48.5	-58.5	0	0	0	110	R36 F38 V82 Q85 L111 A116 N118 I120	R36-I87 HydrophobicContact CB-CD1 3.5Å; R36-I87 HydrophobicContact CG-CD1 3.99Å; F38-I87 HydrophobicContact CD2-CG2 3.46Å; F38-I87 VanDerWaalsContact CD2-CG2 3.46Å; F38-I87 HydrophobicContact CE2-CD1 4.39Å; F38-I87 HydrophobicContact CE2-CG2 3.72Å; V82-I87 HydrophobicContact CB-CD1 3.84Å; V82-I87 HydrophobicContact CB-CG1 4.27Å; V82-I87 HydrophobicContact CG1-CD1 3.94Å; Q85-I87 HydrophobicContact CB-CD1 3.84Å; I87-L111 HydrophobicContact CG1-CD2 4.47Å; I87-L111 HydrophobicContact CG2-CD1 3.78Å; I87-L111 HydrophobicContact CG2-CD2 4.12Å; I87-A116 HydrophobicContact CG1-CB 3.78Å; I87-N118 PolarHBondContact N-O 2.95Å; I87-I120 WeakPolarHBondContact O-CD1 3.45Å; I87-I120 PolarHBondContact O-N 3.41Å
88	F	98.6	Very high	95.8	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.6	171.6	-61.7	-91.5	0	0	0	109.3	R36 V37 F38 I120 V122 I363 I366 H367	R36-F88 PolarHBondContact O-N 3.34Å; V37-F88 CarbonylContact C-O 3.57Å; V37-F88 WeakPolarHBondContact CA-O 3.43Å; V37-F88 HydrophobicContact CG1-CB 4.43Å; V37-F88 HydrophobicContact CG2-CB 4.31Å; F38-F88 PolarHBondContact N-O 3.31Å; F88-I120 CarbonylContact C-O 3.48Å; F88-I120 WeakPolarHBondContact CA-O 3.27Å; F88-I120 HydrophobicContact CD1-CB 3.6Å; F88-I120 HydrophobicContact CD1-CD1 4.29Å; F88-I120 HydrophobicContact CD1-CG1 4.2Å; F88-I120 HydrophobicContact CD1-CG2 3.72Å; F88-I120 HydrophobicContact CE1-CB 3.84Å; F88-I120 HydrophobicContact CE1-CD1 4.01Å; F88-I120 HydrophobicContact CE1-CG1 3.94Å; F88-I120 HydrophobicContact CE1-CG2 3.86Å; F88-I120 HydrophobicContact CG-CB 4.38Å; F88-I120 HydrophobicContact CZ-CD1 4.13Å; F88-V122 HydrophobicContact CB-CG2 4.36Å; F88-V122 HydrophobicContact CD1-CG2 4.19Å; F88-I363 HydrophobicContact CD1-CB 4.34Å; F88-I363 HydrophobicContact CD1-CG1 3.91Å; F88-I363 HydrophobicContact CD1-CG2 3.9Å; F88-I363 HydrophobicContact CD2-CG2 3.96Å; F88-I363 HydrophobicContact CE1-CB 4.25Å; F88-I363 HydrophobicContact CE1-CG1 4.22Å; F88-I363 HydrophobicContact CE1-CG2 3.86Å; F88-I363 HydrophobicContact CE2-CG2 3.92Å; F88-I363 HydrophobicContact CG-CG1 4.46Å; F88-I363 HydrophobicContact CG-CG2 3.96Å; F88-I363 HydrophobicContact CZ-CG2 3.87Å; F88-I366 HydrophobicContact CE1-CB 4.44Å; F88-I366 HydrophobicContact CE1-CG2 4.22Å; F88-I366 HydrophobicContact CZ-CG2 4.3Å; F88-H367 HydrophobicContact CE2-CB 4.29Å; F88-H367 HydrophobicContact CZ-CB 4.14Å
89	I	98.5	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.4	173.2	-53.8	170.4	0	0	0	107.7	F38 A40 L104 M107 A108 L111 I119 I120 V122	F38-I89 CarbonylContact O-C 3.43Å; A40-I89 HydrophobicContact CB-CG2 3.73Å; I89-L104 HydrophobicContact CB-CD1 4.35Å; I89-L104 HydrophobicContact CD1-CD1 4.44Å; I89-L104 HydrophobicContact CG2-CD1 3.73Å; I89-M107 HydrophobicContact CD1-CG 4.15Å; I89-M107 HydrophobicContact CG1-CG 4.45Å; I89-M107 HydrophobicContact CG1-SD 4.42Å; I89-M107 HydrophobicContact CG2-CG 4.39Å; I89-M107 HydrophobicContact CG2-SD 3.72Å; I89-A108 HydrophobicContact CD1-CB 4.02Å; I89-L111 HydrophobicContact CD1-CD1 3.5Å; I89-L111 HydrophobicContact CG1-CD1 3.59Å; I89-I119 HydrophobicContact CD1-CG2 3.58Å; I89-I119 HydrophobicContact CG1-CG2 4.24Å; I89-I120 PolarHBondContact N-O 2.73Å; I89-V122 PolarHBondContact O-N 3.19Å
90	I	98.5	Very high	95.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.4	172.7	-54.7	177.8	0	0	0	108.2	V37 F38 S39 A40 A50 I53 V122	V37-I90 HydrophobicContact CG1-CD1 3.39Å; V37-I90 HydrophobicContact CG1-CG1 3.79Å; F38-I90 PolarHBondContact O-N 3.02Å; S39-I90 WeakPolarHBondContact CA-O 3.47Å; A40-I90 PolarHBondContact N-O 2.77Å; A50-I90 HydrophobicContact CB-CB 3.95Å; A50-I90 HydrophobicContact CB-CD1 3.89Å; A50-I90 HydrophobicContact CB-CG1 4.49Å; A50-I90 HydrophobicContact CB-CG2 3.87Å; I53-I90 HydrophobicContact CB-CD1 4.01Å; I53-I90 HydrophobicContact CD1-CD1 3.85Å; I53-I90 HydrophobicContact CG2-CD1 3.83Å; I90-V122 WeakPolarHBondContact CA-O 3.23Å; I90-V122 HydrophobicContact CG1-CB 4.08Å; I90-V122 HydrophobicContact CG1-CG1 4.44Å; I90-V122 HydrophobicContact CG1-CG2 4.47Å
91	Q	98.1	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.			trans	-132.8	114.9	174	-172.2	69.2	-37.3	0	0	111.3	A40 N41 I93 A100 E103 L104 V122 P124	A40-Q91 HydrophobicContact CB-CB 4.41Å; A40-Q91 HydrophobicContact CB-CG 4.46Å; A40-Q91 VanDerWaalsContact CB-OE1 3.31Å; N41-Q91 PolarHBondContact ND2-OE1 3.29Å; N41-Q91 PolarHBondContact OD1-OE1 3.42Å; Q91-I93 HydrophobicContact CG-CD1 4.22Å; Q91-A100 PolarHBondContact NE2-O 3.14Å; Q91-E103 PolarHBondContact NE2-OE2 3.08Å; Q91-L104 HydrophobicContact CB-CD1 4.17Å; Q91-L104 HydrophobicContact CB-CD2 4.31Å; Q91-L104 HydrophobicContact CG-CB 4.07Å; Q91-L104 HydrophobicContact CG-CD2 4.31Å; Q91-V122 PolarHBondContact N-O 3.01Å; Q91-P124 VanDerWaalsContact O-CD 3.29Å; Q91-P124 WeakPolarHBondContact O-CD 3.48Å
92	T	97.3	Very high	96.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.216	C	C	.	.			trans	-92.6	157.2	164.7	65.7	0	0	0	0	110	N41 C46 L49 P94	N41-T92 PolarHBondContact ND2-O 2.69Å; N41-T92 PolarHBondContact OD1-N 2.99Å; N41-T92 PolarHBondContact OD1-OG1 3.3Å; C46-T92 WeakPolarHBondContact CB-OG1 3.35Å; C46-T92 PolarHBondContact O-OG1 3.18Å; L49-T92 HydrophobicContact CB-CG2 4.1Å; L49-T92 HydrophobicContact CD2-CG2 3.88Å; T92-P94 WeakPolarHBondContact O-CD 3.32Å
93	I	95	Very high	96.2	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	22%	0.216	C	C	.	.			trans	-109	108.7	-175.7	-53	-58.8	0	0	0	109.4	Q91 V97 A100 Y125 P127 V338	Q91-I93 HydrophobicContact CG-CD1 4.22Å; I93-V97 HydrophobicContact CG2-CB 4Å; I93-V97 HydrophobicContact CG2-CG2 3.75Å; I93-A100 HydrophobicContact CD1-CB 4.16Å; I93-Y125 HydrophobicContact CB-CD1 3.95Å; I93-Y125 HydrophobicContact CB-CE1 4.43Å; I93-Y125 HydrophobicContact CG1-CD1 3.97Å; I93-Y125 HydrophobicContact CG2-CD1 4.48Å; I93-Y125 HydrophobicContact CG2-CE1 4.47Å; I93-P127 HydrophobicContact CD1-CB 4.3Å; I93-P127 HydrophobicContact CD1-CG 3.82Å; I93-P127 HydrophobicContact CG1-CB 4.19Å; I93-P127 HydrophobicContact CG1-CG 4.1Å; I93-P127 HydrophobicContact CG2-CB 4.36Å; I93-V338 WeakPolarHBondContact O-CG1 3.43Å
94	P	90.9	Very high	96.3	Very high	40 Å²	40	36.5 Å²	36.5	26%	0.26	19%	0.186	S	C	.	.			trans	-76.8	-175.2	169.6	32.4	-32.8	0	0	0	111.6	T92 D96 A100	T92-P94 WeakPolarHBondContact O-CD 3.32Å; P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 PolarHBondContact O-N 2.9Å; P94-A100 HydrophobicContact CG-CB 4.23Å
95	R	88.6	Confident	96.5	Very high	232 Å²	232	35.9 Å²	35.9	88%	0.875	18%	0.175	S	C	*	.	S	Bend	trans	-53.7	-39.6	176.6	-171.3	174	-176.2	170.1	2.1	113.2	V97	R95-V97 PolarHBondContact O-N 3.03Å; R95-V97 VanDerWaalsContact O-N 3.13Å
96	D	93.3	Very high	96.7	Very high	78 Å²	78	35.2 Å²	35.2	42%	0.417	17%	0.173	S	C	.	.			trans	-83.4	83.7	172.6	-171.6	-4.8	0	0	0	111	P94 N98 T99 A100	P94-D96 VanDerWaalsContact C-N 3.25Å; P94-D96 PolarHBondContact O-N 2.9Å; D96-N98 VanDerWaalsContact C-N 3.34Å; D96-N98 PolarHBondContact O-N 2.87Å; D96-N98 PolarHBondContact OD1-N 2.77Å; D96-T99 VanDerWaalsContact CG-CB 3.48Å; D96-T99 PolarHBondContact OD1-N 3.46Å; D96-T99 VanDerWaalsContact OD1-N 3.15Å; D96-T99 PolarHBondContact OD1-OG1 3.46Å; D96-T99 VanDerWaalsContact OD2-CB 3.23Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.4Å; D96-A100 PolarHBondContact O-N 2.76Å
97	V	96.1	Very high	96.8	Very high	40 Å²	40	33.4 Å²	33.4	24%	0.242	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-35.3	-179.2	62.3	0	0	0	0	113	I93 R95 A100 V101 P127 Y128	I93-V97 HydrophobicContact CG2-CB 4Å; I93-V97 HydrophobicContact CG2-CG2 3.75Å; R95-V97 PolarHBondContact O-N 3.03Å; R95-V97 VanDerWaalsContact O-N 3.13Å; V97-A100 PolarHBondContact O-N 3.09Å; V97-V101 WeakPolarHBondContact O-CG2 3.46Å; V97-V101 PolarHBondContact O-N 2.97Å; V97-P127 HydrophobicContact CG2-CB 3.5Å; V97-P127 VanDerWaalsContact CG2-CB 3.5Å; V97-P127 HydrophobicContact CG2-CG 4.44Å; V97-Y128 HydrophobicContact CG2-CD2 4.41Å; V97-Y128 HydrophobicContact CG2-CE2 3.81Å
98	N	97.3	Very high	96.9	Very high	100 Å²	100	33.4 Å²	33.4	54%	0.535	16%	0.164	S	C	.	.	H	α-helix	trans	-68.8	-46.8	-176	-75.7	-49	0	0	0	110.6	D96 A100 V101 M102 Y128	D96-N98 VanDerWaalsContact C-N 3.34Å; D96-N98 PolarHBondContact O-N 2.87Å; D96-N98 PolarHBondContact OD1-N 2.77Å; N98-A100 VanDerWaalsContact C-N 3.34Å; N98-A100 PolarHBondContact O-N 2.8Å; N98-V101 PolarHBondContact O-N 3.37Å; N98-M102 WeakPolarHBondContact O-CG 3.49Å; N98-M102 PolarHBondContact O-N 3Å; N98-Y128 PolarHBondContact OD1-OH 2.86Å
99	T	97.1	Very high	96.9	Very high	22 Å²	22	40.1 Å²	40.1	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-45.8	175.7	-65.8	0	0	0	0	110.7	Q68 D96 V101 M102 E103	Q68-T99 HydrophobicContact CG-CG2 4.39Å; Q68-T99 PolarHBondContact NE2-OG1 2.84Å; Q68-T99 VanDerWaalsContact NE2-OG1 3.08Å; D96-T99 VanDerWaalsContact CG-CB 3.48Å; D96-T99 PolarHBondContact OD1-N 3.46Å; D96-T99 VanDerWaalsContact OD1-N 3.15Å; D96-T99 PolarHBondContact OD1-OG1 3.46Å; D96-T99 VanDerWaalsContact OD2-CB 3.23Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 PolarHBondContact OD2-OG1 3.4Å; T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 PolarHBondContact O-N 2.78Å; T99-M102 CarbonylContact O-C 3.53Å; T99-M102 PolarHBondContact O-N 3.33Å; T99-E103 HydrophobicContact CG2-CG 4.2Å; T99-E103 WeakPolarHBondContact O-CG 3.29Å; T99-E103 PolarHBondContact O-N 2.84Å
100	A	97.3	Very high	96.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-35	178.6	0	0	0	0	0	113	Q91 I93 P94 D96 V97 N98 L104	Q91-A100 PolarHBondContact NE2-O 3.14Å; I93-A100 HydrophobicContact CD1-CB 4.16Å; P94-A100 HydrophobicContact CG-CB 4.23Å; D96-A100 PolarHBondContact O-N 2.76Å; V97-A100 PolarHBondContact O-N 3.09Å; N98-A100 VanDerWaalsContact C-N 3.34Å; N98-A100 PolarHBondContact O-N 2.8Å; A100-L104 WeakPolarHBondContact O-CB 3.5Å; A100-L104 PolarHBondContact O-N 3.38Å; A100-L104 VanDerWaalsContact O-N 3.17Å
101	V	98.1	Very high	96.9	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-43.2	171.9	167.8	0	0	0	0	110.8	V97 N98 T99 L104 L105 P127 Y128 L145	V97-V101 WeakPolarHBondContact O-CG2 3.46Å; V97-V101 PolarHBondContact O-N 2.97Å; N98-V101 PolarHBondContact O-N 3.37Å; T99-V101 VanDerWaalsContact C-N 3.3Å; T99-V101 PolarHBondContact O-N 2.78Å; V101-L104 PolarHBondContact O-N 3.27Å; V101-L105 HydrophobicContact CG1-CD1 3.7Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.39Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.3Å; V101-P127 HydrophobicContact CG2-CG 3.86Å; V101-Y128 HydrophobicContact CG2-CE2 4.3Å; V101-L145 HydrophobicContact CG1-CD1 3.5Å; V101-L145 HydrophobicContact CG2-CD1 4.13Å
102	M	98.3	Very high	96.9	Very high	86 Å²	86	46 Å²	46	42%	0.424	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-43.4	178.3	-69.5	-56.4	-62.2	0	0	112.7	N98 T99 L104 L105 I106	N98-M102 WeakPolarHBondContact O-CG 3.49Å; N98-M102 PolarHBondContact O-N 3Å; T99-M102 CarbonylContact O-C 3.53Å; T99-M102 PolarHBondContact O-N 3.33Å; M102-L104 VanDerWaalsContact C-N 3.29Å; M102-L104 PolarHBondContact O-N 3Å; M102-L105 PolarHBondContact O-N 2.92Å; M102-L105 HydrophobicContact SD-CD1 4.15Å; M102-I106 HydrophobicContact CE-CD1 4.34Å; M102-I106 WeakPolarHBondContact O-CB 3.39Å; M102-I106 WeakPolarHBondContact O-CD1 3.4Å; M102-I106 WeakPolarHBondContact O-CG1 3.42Å; M102-I106 PolarHBondContact O-N 2.83Å
103	E	98.3	Very high	96.9	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-52.5	-48	172.8	-74.2	175.1	167.1	0	0	111.4	A40 S42 V66 T74 Q91 T99 M107	A40-E103 WeakPolarHBondContact O-CB 3.01Å; S42-E103 WeakPolarHBondContact CB-OE1 3.34Å; S42-E103 PolarHBondContact N-OE1 2.72Å; S42-E103 PolarHBondContact OG-OE1 2.94Å; V66-E103 HydrophobicContact CG1-CB 4.33Å; V66-E103 HydrophobicContact CG1-CG 3.77Å; T74-E103 HydrophobicContact CG2-CB 4.26Å; T74-E103 HydrophobicContact CG2-CG 3.52Å; Q91-E103 PolarHBondContact NE2-OE2 3.08Å; T99-E103 HydrophobicContact CG2-CG 4.2Å; T99-E103 WeakPolarHBondContact O-CG 3.29Å; T99-E103 PolarHBondContact O-N 2.84Å; E103-M107 VanDerWaalsContact O-CB 3.26Å; E103-M107 WeakPolarHBondContact O-CB 3.47Å; E103-M107 PolarHBondContact O-N 2.81Å
104	L	98.4	Very high	97	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-47.1	178.7	173.6	61.6	0	0	0	112.3	I89 Q91 A100 V101 M102 M107 A108 I123 L149	I89-L104 HydrophobicContact CB-CD1 4.35Å; I89-L104 HydrophobicContact CD1-CD1 4.44Å; I89-L104 HydrophobicContact CG2-CD1 3.73Å; Q91-L104 HydrophobicContact CB-CD1 4.17Å; Q91-L104 HydrophobicContact CB-CD2 4.31Å; Q91-L104 HydrophobicContact CG-CB 4.07Å; Q91-L104 HydrophobicContact CG-CD2 4.31Å; A100-L104 WeakPolarHBondContact O-CB 3.5Å; A100-L104 PolarHBondContact O-N 3.38Å; A100-L104 VanDerWaalsContact O-N 3.17Å; V101-L104 PolarHBondContact O-N 3.27Å; M102-L104 VanDerWaalsContact C-N 3.29Å; M102-L104 PolarHBondContact O-N 3Å; L104-M107 PolarHBondContact O-N 3.22Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.43Å; L104-I123 HydrophobicContact CD2-CD1 3.48Å; L104-I123 VanDerWaalsContact CD2-CD1 3.48Å; L104-I123 HydrophobicContact CD2-CG1 4.05Å; L104-L149 HydrophobicContact CD2-CD2 3.62Å; L104-L149 HydrophobicContact CG-CD2 3.98Å
105	L	98.8	Very high	97.3	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-44.4	179.7	-71.8	168.2	0	0	0	111.5	V101 M102 A108 Y109 M148 L149 A152	V101-L105 HydrophobicContact CG1-CD1 3.7Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CB 3.39Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.3Å; M102-L105 PolarHBondContact O-N 2.92Å; M102-L105 HydrophobicContact SD-CD1 4.15Å; L105-A108 PolarHBondContact O-N 3.48Å; L105-Y109 WeakPolarHBondContact O-CB 3.3Å; L105-Y109 PolarHBondContact O-N 3.13Å; L105-M148 HydrophobicContact CD1-CB 4.47Å; L105-M148 HydrophobicContact CD1-CE 3.68Å; L105-M148 HydrophobicContact CD2-CB 4Å; L105-L149 HydrophobicContact CD2-CD2 3.86Å; L105-L149 HydrophobicContact CD2-CG 4.36Å; L105-A152 HydrophobicContact CB-CB 4.43Å; L105-A152 HydrophobicContact CD2-CB 3.63Å
106	I	98.6	Very high	97.7	Very high	53 Å²	53	43.1 Å²	43.1	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-43.8	179.7	-64.7	167.2	0	0	0	110	T74 V76 M102 A108 Y109 A110	T74-I106 HydrophobicContact CG2-CD1 4Å; T74-I106 WeakPolarHBondContact O-CD1 3.36Å; V76-I106 HydrophobicContact CB-CG2 3.88Å; V76-I106 HydrophobicContact CG2-CB 4.08Å; V76-I106 HydrophobicContact CG2-CG2 3.76Å; M102-I106 HydrophobicContact CE-CD1 4.34Å; M102-I106 WeakPolarHBondContact O-CB 3.39Å; M102-I106 WeakPolarHBondContact O-CD1 3.4Å; M102-I106 WeakPolarHBondContact O-CG1 3.42Å; M102-I106 PolarHBondContact O-N 2.83Å; I106-A108 PolarHBondContact O-N 2.97Å; I106-Y109 PolarHBondContact O-N 2.78Å; I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 2.96Å
107	M	98.6	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-46.2	176.6	-176.5	168.2	-73.5	0	0	111.8	F38 S39 A40 V66 V76 I78 I89 E103 L104 Y109 A110 L111	F38-M107 HydrophobicContact CB-SD 3.93Å; S39-M107 WeakPolarHBondContact O-CE 3.13Å; A40-M107 HydrophobicContact CB-CB 4.36Å; A40-M107 HydrophobicContact CB-CE 4.12Å; A40-M107 HydrophobicContact CB-SD 3.71Å; V66-M107 HydrophobicContact CG2-CE 3.53Å; V76-M107 HydrophobicContact CG1-CB 3.97Å; V76-M107 HydrophobicContact CG1-CE 3.65Å; V76-M107 HydrophobicContact CG1-CG 4.16Å; V76-M107 HydrophobicContact CG2-CB 4.37Å; I78-M107 HydrophobicContact CD1-CE 4.42Å; I78-M107 HydrophobicContact CD1-CG 4.25Å; I89-M107 HydrophobicContact CD1-CG 4.15Å; I89-M107 HydrophobicContact CG1-CG 4.45Å; I89-M107 HydrophobicContact CG1-SD 4.42Å; I89-M107 HydrophobicContact CG2-CG 4.39Å; I89-M107 HydrophobicContact CG2-SD 3.72Å; E103-M107 VanDerWaalsContact O-CB 3.26Å; E103-M107 WeakPolarHBondContact O-CB 3.47Å; E103-M107 PolarHBondContact O-N 2.81Å; L104-M107 PolarHBondContact O-N 3.22Å; M107-Y109 VanDerWaalsContact C-N 3.33Å; M107-Y109 PolarHBondContact O-N 3.39Å; M107-A110 PolarHBondContact O-N 3.29Å; M107-L111 HydrophobicContact CG-CD1 3.94Å; M107-L111 WeakPolarHBondContact O-CB 3.44Å; M107-L111 VanDerWaalsContact O-CG 3.29Å; M107-L111 WeakPolarHBondContact O-CG 3.45Å; M107-L111 PolarHBondContact O-N 3.42Å
108	A	98.6	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-44.7	175.7	0	0	0	0	0	112.1	I89 L104 L105 I106 L111 K112 I119 A152 L154	I89-A108 HydrophobicContact CD1-CB 4.02Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.45Å; L104-A108 PolarHBondContact O-N 3.43Å; L105-A108 PolarHBondContact O-N 3.48Å; I106-A108 PolarHBondContact O-N 2.97Å; A108-L111 PolarHBondContact O-N 2.91Å; A108-K112 WeakPolarHBondContact O-CB 3.36Å; A108-K112 PolarHBondContact O-N 2.92Å; A108-I119 HydrophobicContact CB-CG2 4.47Å; A108-A152 HydrophobicContact CB-CB 4.14Å; A108-L154 HydrophobicContact CB-CD1 3.32Å
109	Y	98.6	Very high	98	Very high	142 Å²	142	43.8 Å²	43.8	56%	0.557	22%	0.223	S	C	*	.	H	α-helix	trans	-67	-37.6	179.2	-166.9	-104.8	0	0	0	112.5	L105 I106 M107 K112 T113 A152	L105-Y109 WeakPolarHBondContact O-CB 3.3Å; L105-Y109 PolarHBondContact O-N 3.13Å; I106-Y109 PolarHBondContact O-N 2.78Å; M107-Y109 VanDerWaalsContact C-N 3.33Å; M107-Y109 PolarHBondContact O-N 3.39Å; Y109-K112 PolarHBondContact O-N 3.36Å; Y109-T113 WeakPolarHBondContact O-CB 3.4Å; Y109-T113 PolarHBondContact O-N 2.65Å; Y109-T113 PolarHBondContact O-OG1 2.8Å; Y109-A152 WeakPolarHBondContact CA-O 3.1Å
110	A	98.4	Very high	98.1	Very high	24 Å²	24	43 Å²	43	20%	0.198	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-42.1	174.6	0	0	0	0	0	112.1	I78 I106 M107 T113 S114	I78-A110 HydrophobicContact CG1-CB 4.31Å; I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 2.96Å; M107-A110 PolarHBondContact O-N 3.29Å; A110-T113 PolarHBondContact O-N 3.46Å; A110-S114 WeakPolarHBondContact O-CB 3.41Å; A110-S114 PolarHBondContact O-N 2.87Å; A110-S114 PolarHBondContact O-OG 2.82Å
111	L	98.3	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-40.3	176.3	-70.8	167	0	0	0	111.8	F38 I78 V82 I87 I89 M107 A108 S114 C115 A116 I119	F38-L111 HydrophobicContact CE2-CD2 4.4Å; I78-L111 HydrophobicContact CD1-CD2 4.2Å; I78-L111 HydrophobicContact CD1-CG 4.41Å; I78-L111 HydrophobicContact CG1-CD2 4.14Å; I78-L111 HydrophobicContact CG1-CG 4.48Å; I78-L111 HydrophobicContact CG2-CD2 4.39Å; V82-L111 HydrophobicContact CB-CD2 4.1Å; V82-L111 HydrophobicContact CG1-CD2 3.75Å; V82-L111 HydrophobicContact CG2-CD2 3.83Å; I87-L111 HydrophobicContact CG1-CD2 4.47Å; I87-L111 HydrophobicContact CG2-CD1 3.78Å; I87-L111 HydrophobicContact CG2-CD2 4.12Å; I89-L111 HydrophobicContact CD1-CD1 3.5Å; I89-L111 HydrophobicContact CG1-CD1 3.59Å; M107-L111 HydrophobicContact CG-CD1 3.94Å; M107-L111 WeakPolarHBondContact O-CB 3.44Å; M107-L111 VanDerWaalsContact O-CG 3.29Å; M107-L111 WeakPolarHBondContact O-CG 3.45Å; M107-L111 PolarHBondContact O-N 3.42Å; A108-L111 PolarHBondContact O-N 2.91Å; L111-S114 CarbonylContact O-C 3.58Å; L111-S114 PolarHBondContact O-N 3.42Å; L111-C115 PolarHBondContact O-N 3.16Å; L111-A116 HydrophobicContact CB-CB 4.36Å; L111-A116 WeakPolarHBondContact O-CB 3.45Å; L111-A116 PolarHBondContact O-N 2.95Å; L111-A116 VanDerWaalsContact O-N 3.08Å; L111-I119 HydrophobicContact CB-CD1 3.87Å; L111-I119 HydrophobicContact CB-CG1 4.37Å
112	K	98.3	Very high	98.2	Very high	100 Å²	100	42.3 Å²	42.3	44%	0.435	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-47.5	173.4	178.4	-179.9	178.1	174.6	0	111.5	A108 Y109 S114 C115 I119 K151 A152	A108-K112 WeakPolarHBondContact O-CB 3.36Å; A108-K112 PolarHBondContact O-N 2.92Å; Y109-K112 PolarHBondContact O-N 3.36Å; K112-S114 PolarHBondContact O-N 2.98Å; K112-C115 PolarHBondContact O-N 3.01Å; K112-I119 HydrophobicContact CB-CD1 3.8Å; K112-K151 PolarHBondContact NZ-O 3.07Å; K112-A152 WeakPolarHBondContact CD-O 3.2Å
113	T	97.9	Very high	98.2	Very high	93 Å²	93	38.3 Å²	38.3	57%	0.571	19%	0.194	S	C	*	.	H	α-helix	trans	-61.5	-32.1	177.2	-55.8	0	0	0	0	111.3	Y109 A110 C115	Y109-T113 WeakPolarHBondContact O-CB 3.4Å; Y109-T113 PolarHBondContact O-N 2.65Å; Y109-T113 PolarHBondContact O-OG1 2.8Å; A110-T113 PolarHBondContact O-N 3.46Å; T113-C115 PolarHBondContact O-N 3.36Å
114	S	97.2	Very high	98.2	Very high	49 Å²	49	38.1 Å²	38.1	34%	0.343	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	12.2	175.6	-56.8	0	0	0	0	114.1	A110 L111 K112 A116	A110-S114 WeakPolarHBondContact O-CB 3.41Å; A110-S114 PolarHBondContact O-N 2.87Å; A110-S114 PolarHBondContact O-OG 2.82Å; L111-S114 CarbonylContact O-C 3.58Å; L111-S114 PolarHBondContact O-N 3.42Å; K112-S114 PolarHBondContact O-N 2.98Å; S114-A116 PolarHBondContact O-N 2.88Å
115	C	97.2	Very high	98.2	Very high	61 Å²	61	38.6 Å²	38.6	41%	0.412	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	37	177.7	-49.8	0	0	0	0	114.2	R83 G84 L111 K112 T113	R83-C115 HydrophobicContact CG-CB 4.22Å; G84-C115 PolarHBondContact N-O 3.26Å; L111-C115 PolarHBondContact O-N 3.16Å; K112-C115 PolarHBondContact O-N 3.01Å; T113-C115 PolarHBondContact O-N 3.36Å
116	A	97.7	Very high	98.1	Very high	17 Å²	17	38 Å²	38	14%	0.14	19%	0.192	C	C	.	.			trans	-56.4	142.7	165.1	0	0	0	0	0	110.3	I87 L111 S114 I119	I87-A116 HydrophobicContact CG1-CB 3.78Å; L111-A116 HydrophobicContact CB-CB 4.36Å; L111-A116 WeakPolarHBondContact O-CB 3.45Å; L111-A116 PolarHBondContact O-N 2.95Å; L111-A116 VanDerWaalsContact O-N 3.08Å; S114-A116 PolarHBondContact O-N 2.88Å; A116-I119 HydrophobicContact CB-CD1 4.15Å; A116-I119 HydrophobicContact CB-CG1 3.84Å
117	R	96.4	Very high	98.1	Very high	164 Å²	164	35.8 Å²	35.8	62%	0.619	18%	0.181	S	C	*	.	S	Bend	trans	-76	-52.9	-178.2	-175.8	-168.2	-54.1	179.2	1.6	110.9	G84 Q85 D86	G84-R117 VanDerWaalsContact O-CZ 3.27Å; G84-R117 PolarHBondContact O-NE 3.01Å; G84-R117 PolarHBondContact O-NH2 2.87Å; Q85-R117 PolarHBondContact O-N 3.03Å; D86-R117 WeakPolarHBondContact OD1-CD 3.26Å
118	N	97.4	Very high	98	Very high	64 Å²	64	38.1 Å²	38.1	34%	0.342	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.5	175	-67.8	-68.7	0	0	0	109.2	D86 I87 I120	D86-N118 HydrophobicContact CB-CB 4.39Å; D86-N118 WeakPolarHBondContact OD1-CB 3.46Å; D86-N118 PolarHBondContact OD1-ND2 3.36Å; I87-N118 PolarHBondContact N-O 2.95Å; N118-I120 HydrophobicContact CB-CD1 3.84Å
119	I	98.4	Very high	97.9	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	100.5	178.7	-56	174.2	0	0	0	107.2	I89 A108 L111 K112 A116 L154 T155	I89-I119 HydrophobicContact CD1-CG2 3.58Å; I89-I119 HydrophobicContact CG1-CG2 4.24Å; A108-I119 HydrophobicContact CB-CG2 4.47Å; L111-I119 HydrophobicContact CB-CD1 3.87Å; L111-I119 HydrophobicContact CB-CG1 4.37Å; K112-I119 HydrophobicContact CB-CD1 3.8Å; A116-I119 HydrophobicContact CB-CD1 4.15Å; A116-I119 HydrophobicContact CB-CG1 3.84Å; I119-L154 HydrophobicContact CG2-CD1 4.29Å; I119-L154 WeakPolarHBondContact O-CA 3.48Å; I119-T155 PolarHBondContact N-OG1 3.1Å; I119-T155 PolarHBondContact O-N 3.11Å; I119-T155 PolarHBondContact O-OG1 3.32Å
120	I	98.7	Very high	97.7	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.6	-177.3	-55.9	89.9	0	0	0	108.6	I87 F88 I89 N118 H156 I158	I87-I120 WeakPolarHBondContact O-CD1 3.45Å; I87-I120 PolarHBondContact O-N 3.41Å; F88-I120 CarbonylContact C-O 3.48Å; F88-I120 WeakPolarHBondContact CA-O 3.27Å; F88-I120 HydrophobicContact CD1-CB 3.6Å; F88-I120 HydrophobicContact CD1-CD1 4.29Å; F88-I120 HydrophobicContact CD1-CG1 4.2Å; F88-I120 HydrophobicContact CD1-CG2 3.72Å; F88-I120 HydrophobicContact CE1-CB 3.84Å; F88-I120 HydrophobicContact CE1-CD1 4.01Å; F88-I120 HydrophobicContact CE1-CG1 3.94Å; F88-I120 HydrophobicContact CE1-CG2 3.86Å; F88-I120 HydrophobicContact CG-CB 4.38Å; F88-I120 HydrophobicContact CZ-CD1 4.13Å; I89-I120 PolarHBondContact N-O 2.73Å; N118-I120 HydrophobicContact CB-CD1 3.84Å; I120-H156 CarbonylContact C-O 3.56Å; I120-H156 WeakPolarHBondContact CA-O 3.27Å; I120-H156 HydrophobicContact CB-CB 4.4Å; I120-H156 HydrophobicContact CG1-CB 3.96Å; I120-H156 HydrophobicContact CG2-CB 4.13Å; I120-I158 HydrophobicContact CG2-CD1 4.13Å; I120-I158 HydrophobicContact CG2-CG1 3.93Å
121	G	98.5	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.8	173	0	0	0	0	0	110.9	H156 I157 I158	G121-H156 PolarHBondContact N-O 3.09Å; G121-I157 CarbonylContact O-C 3.59Å; G121-I157 VanDerWaalsContact O-CA 3.22Å; G121-I157 WeakPolarHBondContact O-CA 3.36Å; G121-I157 WeakPolarHBondContact O-CG1 3.43Å; G121-I158 PolarHBondContact O-N 3.44Å
122	V	98.6	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	98.3	170.4	-173.6	0	0	0	0	107.4	F88 I89 I90 Q91 P124 I158 L359 I363	F88-V122 HydrophobicContact CB-CG2 4.36Å; F88-V122 HydrophobicContact CD1-CG2 4.19Å; I89-V122 PolarHBondContact O-N 3.19Å; I90-V122 WeakPolarHBondContact CA-O 3.23Å; I90-V122 HydrophobicContact CG1-CB 4.08Å; I90-V122 HydrophobicContact CG1-CG1 4.44Å; I90-V122 HydrophobicContact CG1-CG2 4.47Å; Q91-V122 PolarHBondContact N-O 3.01Å; V122-P124 WeakPolarHBondContact O-CD 3.34Å; V122-I158 CarbonylContact C-O 3.48Å; V122-I158 WeakPolarHBondContact CA-O 3.16Å; V122-I158 HydrophobicContact CG1-CB 4.48Å; V122-I158 HydrophobicContact CG2-CB 4.42Å; V122-I158 HydrophobicContact CG2-CD1 4.01Å; V122-I158 HydrophobicContact CG2-CG1 4.48Å; V122-L359 HydrophobicContact CG1-CD2 4.08Å; V122-I363 HydrophobicContact CG2-CD1 4.03Å; V122-I363 HydrophobicContact CG2-CG1 4.04Å
123	I	98.6	Very high	96.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.199	C	C	.	.			trans	-122.6	84.3	-171.4	-54.1	168.2	0	0	0	107.5	L104 Y125 F126 L149 L154 I157 I158 T159	L104-I123 HydrophobicContact CD2-CD1 3.48Å; L104-I123 VanDerWaalsContact CD2-CD1 3.48Å; L104-I123 HydrophobicContact CD2-CG1 4.05Å; I123-Y125 VanDerWaalsContact C-N 3.34Å; I123-Y125 WeakPolarHBondContact CG2-O 3.44Å; I123-Y125 PolarHBondContact O-N 3.01Å; I123-F126 HydrophobicContact CD1-CE2 4.48Å; I123-F126 HydrophobicContact CG2-CD2 4.11Å; I123-L149 HydrophobicContact CD1-CD1 4.27Å; I123-L154 HydrophobicContact CD1-CD2 4.39Å; I123-I157 HydrophobicContact CB-CD1 4.28Å; I123-I157 HydrophobicContact CB-CG1 4.46Å; I123-I157 HydrophobicContact CD1-CD1 3.71Å; I123-I157 HydrophobicContact CD1-CG1 4.05Å; I123-I157 HydrophobicContact CG1-CD1 4.39Å; I123-I157 HydrophobicContact CG1-CG1 4.42Å; I123-I158 PolarHBondContact N-O 3.31Å; I123-T159 WeakPolarHBondContact O-CA 3.22Å; I123-T159 VanDerWaalsContact O-CB 3.26Å; I123-T159 WeakPolarHBondContact O-CB 3.39Å; I123-T159 PolarHBondContact O-OG1 2.84Å
124	P	98.2	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-59.5	-41.9	-168.9	-25.6	35.9	0	0	0	113.1	L49 Q91 V122 M160 H313 T337 L359	L49-P124 HydrophobicContact CD2-CB 4.25Å; L49-P124 HydrophobicContact CD2-CG 3.63Å; Q91-P124 VanDerWaalsContact O-CD 3.29Å; Q91-P124 WeakPolarHBondContact O-CD 3.48Å; V122-P124 WeakPolarHBondContact O-CD 3.34Å; P124-M160 PolarHBondContact O-N 3.35Å; P124-H313 PolarHBondContact O-CE1 3.08Å; P124-H313 VanDerWaalsContact O-CE1 3.31Å; P124-T337 HydrophobicContact CB-CG2 3.79Å; P124-L359 HydrophobicContact CB-CD1 4.16Å; P124-L359 HydrophobicContact CG-CD1 3.73Å
125	Y	98.4	Very high	95.8	Very high	16 Å²	16	46.9 Å²	46.9	6%	0.063	21%	0.214	C	C	.	.	S	Bend	trans	-109	118	166.9	166.8	-113.8	0	0	0	109.4	I93 I123 P127 I285 H313 L315 V338	I93-Y125 HydrophobicContact CB-CD1 3.95Å; I93-Y125 HydrophobicContact CB-CE1 4.43Å; I93-Y125 HydrophobicContact CG1-CD1 3.97Å; I93-Y125 HydrophobicContact CG2-CD1 4.48Å; I93-Y125 HydrophobicContact CG2-CE1 4.47Å; I123-Y125 VanDerWaalsContact C-N 3.34Å; I123-Y125 WeakPolarHBondContact CG2-O 3.44Å; I123-Y125 PolarHBondContact O-N 3.01Å; Y125-P127 WeakPolarHBondContact O-CD 3.27Å; Y125-I285 HydrophobicContact CE2-CD1 3.92Å; Y125-I285 HydrophobicContact CE2-CG1 4.24Å; Y125-H313 HydrophobicContact CD2-CB 3.94Å; Y125-H313 AromaticContact CD2-CD2 3.77Å; Y125-H313 AromaticContact CD2-CG 3.56Å; Y125-H313 AromaticContact CD2-ND1 3.8Å; Y125-H313 HydrophobicContact CE2-CB 4.5Å; Y125-L315 HydrophobicContact CD1-CD1 4.06Å; Y125-L315 HydrophobicContact CD2-CD1 4.17Å; Y125-L315 HydrophobicContact CE1-CD1 3.81Å; Y125-L315 HydrophobicContact CE1-CD2 3.93Å; Y125-L315 HydrophobicContact CE1-CG 4.21Å; Y125-L315 HydrophobicContact CE2-CD1 3.93Å; Y125-L315 HydrophobicContact CG-CD1 4.23Å; Y125-L315 WeakPolarHBondContact OH-CD2 3.45Å; Y125-V338 VanDerWaalsContact CB-CG2 3.47Å; Y125-V338 HydrophobicContact CD1-CG2 3.77Å; Y125-V338 HydrophobicContact CG-CG2 3.72Å
126	F	98.3	Very high	95.3	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.022	22%	0.224	C	C	.	.			trans	-81.5	116.1	178.5	-164.7	-107	0	0	0	111.1	I123 S129 L145 L149 I157 L162 F171	I123-F126 HydrophobicContact CD1-CE2 4.48Å; I123-F126 HydrophobicContact CG2-CD2 4.11Å; F126-S129 WeakPolarHBondContact O-CB 3.28Å; F126-S129 PolarHBondContact O-OG 3.32Å; F126-L145 HydrophobicContact CE1-CD2 3.94Å; F126-L145 HydrophobicContact CE1-CG 4.5Å; F126-L145 HydrophobicContact CE2-CD2 4.23Å; F126-L145 HydrophobicContact CZ-CD2 3.67Å; F126-L145 HydrophobicContact CZ-CG 3.94Å; F126-L149 HydrophobicContact CE2-CD1 3.61Å; F126-L149 HydrophobicContact CZ-CD1 3.93Å; F126-I157 HydrophobicContact CD2-CD1 3.69Å; F126-I157 HydrophobicContact CE2-CD1 3.71Å; F126-L162 HydrophobicContact CB-CD2 3.67Å; F126-L162 HydrophobicContact CD1-CD2 4.34Å; F126-L162 HydrophobicContact CG-CD2 4.14Å; F126-F171 HydrophobicContact CD2-CZ 4.18Å; F126-F171 AromaticContact CE1-CZ 3.92Å; F126-F171 HydrophobicContact CE1-CZ 3.92Å; F126-F171 AromaticContact CE2-CE1 3.93Å; F126-F171 HydrophobicContact CE2-CE1 3.93Å; F126-F171 AromaticContact CE2-CZ 3.54Å; F126-F171 HydrophobicContact CE2-CZ 3.54Å; F126-F171 AromaticContact CZ-CE1 3.86Å; F126-F171 HydrophobicContact CZ-CE1 3.86Å; F126-F171 HydrophobicContact CZ-CE2 4.45Å; F126-F171 AromaticContact CZ-CZ 3.39Å; F126-F171 HydrophobicContact CZ-CZ 3.39Å
127	P	97.5	Very high	94.6	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.032	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	159.9	-176.4	29	-32.2	0	0	0	111.5	I93 V97 V101 Y125 S129 L145	I93-P127 HydrophobicContact CD1-CB 4.3Å; I93-P127 HydrophobicContact CD1-CG 3.82Å; I93-P127 HydrophobicContact CG1-CB 4.19Å; I93-P127 HydrophobicContact CG1-CG 4.1Å; I93-P127 HydrophobicContact CG2-CB 4.36Å; V97-P127 HydrophobicContact CG2-CB 3.5Å; V97-P127 VanDerWaalsContact CG2-CB 3.5Å; V97-P127 HydrophobicContact CG2-CG 4.44Å; V101-P127 HydrophobicContact CG2-CG 3.86Å; Y125-P127 WeakPolarHBondContact O-CD 3.27Å; P127-S129 PolarHBondContact O-N 2.81Å; P127-L145 HydrophobicContact CG-CD2 3.75Å; P127-L145 WeakPolarHBondContact O-CD2 3.15Å
128	Y	97.4	Very high	94.1	Very high	50 Å²	50	53.1 Å²	53.1	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	10.5	-174.8	-60	-90	0	0	0	115.1	V97 N98 V101 K130 Q131 V141 C142 L145	V97-Y128 HydrophobicContact CG2-CD2 4.41Å; V97-Y128 HydrophobicContact CG2-CE2 3.81Å; N98-Y128 PolarHBondContact OD1-OH 2.86Å; V101-Y128 HydrophobicContact CG2-CE2 4.3Å; Y128-K130 VanDerWaalsContact C-N 3.3Å; Y128-K130 PolarHBondContact O-N 3.43Å; Y128-Q131 CarbonylContact O-C 3.6Å; Y128-Q131 WeakPolarHBondContact O-CA 3.41Å; Y128-Q131 WeakPolarHBondContact O-CB 3.44Å; Y128-Q131 PolarHBondContact O-N 2.79Å; Y128-V141 HydrophobicContact CD1-CB 4.29Å; Y128-V141 HydrophobicContact CD1-CG1 3.54Å; Y128-V141 HydrophobicContact CE1-CG1 4.09Å; Y128-V141 HydrophobicContact CG-CG1 3.93Å; Y128-C142 WeakPolarHBondContact O-CB 3.42Å; Y128-L145 HydrophobicContact CD2-CD2 4.07Å
129	S	96.2	Very high	93.9	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.021	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-62.2	-32.4	-179.6	52.9	0	0	0	0	113.7	F126 P127 Q131 S132	F126-S129 WeakPolarHBondContact O-CB 3.28Å; F126-S129 PolarHBondContact O-OG 3.32Å; P127-S129 PolarHBondContact O-N 2.81Å; S129-Q131 PolarHBondContact O-N 3.26Å; S129-S132 WeakPolarHBondContact O-CB 3.38Å; S129-S132 PolarHBondContact O-N 2.86Å; S129-S132 PolarHBondContact O-OG 3.11Å
130	K	93.8	Very high	93.7	Very high	102 Å²	102	56.6 Å²	56.6	44%	0.443	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61.9	-22.3	169.5	-69.2	171.8	67.6	175.7	0	112.9	Y128 S132 I285 D287	Y128-K130 VanDerWaalsContact C-N 3.3Å; Y128-K130 PolarHBondContact O-N 3.43Å; K130-S132 VanDerWaalsContact C-N 3.32Å; K130-S132 PolarHBondContact O-N 2.87Å; K130-I285 HydrophobicContact CD-CD1 4.22Å; K130-I285 HydrophobicContact CG-CD1 3.98Å; K130-D287 IonicContact NZ-OD2 2.68Å; K130-D287 PolarHBondContact NZ-OD2 2.9Å
131	Q	94.3	Very high	93.6	Very high	91 Å²	91	57.8 Å²	57.8	43%	0.425	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-96.7	41.1	176.1	-54.5	-176.2	27.7	0	0	112	Y128 S129 V141 C142	Y128-Q131 CarbonylContact O-C 3.6Å; Y128-Q131 WeakPolarHBondContact O-CA 3.41Å; Y128-Q131 WeakPolarHBondContact O-CB 3.44Å; Y128-Q131 PolarHBondContact O-N 2.79Å; S129-Q131 PolarHBondContact O-N 3.26Å; Q131-V141 HydrophobicContact CB-CB 4.21Å; Q131-V141 PolarHBondContact O-N 2.83Å; Q131-C142 WeakPolarHBondContact O-CB 3.44Å; Q131-C142 PolarHBondContact O-N 2.91Å
132	S	93.3	Very high	93.6	Very high	10 Å²	10	57.8 Å²	57.8	7%	0.07	27%	0.272	C	S	.	.			trans	-89.7	-12	179.5	45.9	0	0	0	0	114	S129 K130 I140	S129-S132 WeakPolarHBondContact O-CB 3.38Å; S129-S132 PolarHBondContact O-N 2.86Å; S129-S132 PolarHBondContact O-OG 3.11Å; K130-S132 VanDerWaalsContact C-N 3.32Å; K130-S132 PolarHBondContact O-N 2.87Å; S132-I140 WeakPolarHBondContact O-CG2 3.42Å
133	K	89.9	Confident	93.6	Very high	95 Å²	95	62 Å²	62	41%	0.413	29%	0.29	S	S	.	.	S	Bend	trans	-117.5	140.1	174.8	-64.2	177	-174.7	167.1	0	109.6	R135	K133-R135 PolarHBondContact O-N 3.39Å
134	M	89.1	Confident	93.5	Very high	118 Å²	118	66.6 Å²	66.6	58%	0.581	32%	0.315	S	S	*	.			trans	-68.1	124.8	173.6	-176.1	168.7	167.6	0	0	109.2	G138 I140	M134-G138 WeakPolarHBondContact CE-O 3.29Å; M134-I140 HydrophobicContact CB-CD1 4.37Å; M134-I140 HydrophobicContact CB-CG1 3.97Å
135	R	84.1	Confident	93.5	Very high	173 Å²	173	67 Å²	67	65%	0.653	32%	0.317	S	S	*	.			trans	-109.8	133.6	174.9	-60.4	-63.8	-172	173.2	2.9	109	K133 R137 G138	K133-R135 PolarHBondContact O-N 3.39Å; R135-R137 PolarHBondContact O-N 3.09Å; R135-G138 VanDerWaalsContact O-CA 3.31Å; R135-G138 WeakPolarHBondContact O-CA 3.34Å; R135-G138 PolarHBondContact O-N 2.91Å
136	K	86.4	Confident	93.5	Very high	143 Å²	143	66.3 Å²	66.3	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	-133.5	-179	-58.9	-179	-178.8	172.7	0	110.6	G138 D235	K136-G138 VanDerWaalsContact C-N 3.27Å; K136-G138 PolarHBondContact O-N 2.73Å; K136-D235 IonicContact NZ-OD1 3.9Å; K136-D235 PolarHBondContact NZ-OD1 3.24Å
137	R	83.5	Confident	93.6	Very high	191 Å²	191	68.5 Å²	68.5	72%	0.721	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	52	170.2	-58.7	-173.1	-151.1	-150.4	6.5	111.9	R135 R240	R135-R137 PolarHBondContact O-N 3.09Å; R137-R240 PolarHBondContact NH2-O 2.77Å
138	G	86.1	Confident	93.6	Very high	38 Å²	38	72 Å²	72	39%	0.392	35%	0.347	S	S	.	.			trans	-101	-169.8	-179.5	0	0	0	0	0	113.6	M134 R135 K136	M134-G138 WeakPolarHBondContact CE-O 3.29Å; R135-G138 VanDerWaalsContact O-CA 3.31Å; R135-G138 WeakPolarHBondContact O-CA 3.34Å; R135-G138 PolarHBondContact O-N 2.91Å; K136-G138 VanDerWaalsContact C-N 3.27Å; K136-G138 PolarHBondContact O-N 2.73Å
139	S	91.9	Very high	93.7	Very high	77 Å²	77	69.7 Å²	69.7	54%	0.538	34%	0.338	S	S	.	.			trans	-122.3	162	175.3	62.1	0	0	0	0	111.1	V141	S139-V141 PolarHBondContact O-N 3.33Å; S139-V141 WeakPolarHBondContact OG-CG2 3.35Å
140	I	95.4	Very high	93.8	Very high	65 Å²	65	70.7 Å²	70.7	33%	0.333	35%	0.347	S	S	.	.			trans	-92.5	82.5	171.4	-55.2	178.4	0	0	0	107.7	S132 M134 C142 K143 L144 F170	S132-I140 WeakPolarHBondContact O-CG2 3.42Å; M134-I140 HydrophobicContact CB-CD1 4.37Å; M134-I140 HydrophobicContact CB-CG1 3.97Å; I140-C142 PolarHBondContact O-N 3.5Å; I140-K143 HydrophobicContact CB-CB 4.25Å; I140-K143 HydrophobicContact CG2-CB 3.79Å; I140-K143 WeakPolarHBondContact O-CB 3.41Å; I140-K143 PolarHBondContact O-N 3.31Å; I140-L144 PolarHBondContact O-N 3.44Å; I140-F170 HydrophobicContact CG2-CE2 3.83Å; I140-F170 HydrophobicContact CG2-CZ 3.95Å
141	V	96.9	Very high	94	Very high	30 Å²	30	73.9 Å²	73.9	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-32.1	-175.1	-177.2	0	0	0	0	111.6	Y128 Q131 S139 K143 L144 L145	Y128-V141 HydrophobicContact CD1-CB 4.29Å; Y128-V141 HydrophobicContact CD1-CG1 3.54Å; Y128-V141 HydrophobicContact CE1-CG1 4.09Å; Y128-V141 HydrophobicContact CG-CG1 3.93Å; Q131-V141 HydrophobicContact CB-CB 4.21Å; Q131-V141 PolarHBondContact O-N 2.83Å; S139-V141 PolarHBondContact O-N 3.33Å; S139-V141 WeakPolarHBondContact OG-CG2 3.35Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 3.44Å; V141-L144 WeakPolarHBondContact O-CB 3.26Å; V141-L144 PolarHBondContact O-N 3.05Å; V141-L144 VanDerWaalsContact O-N 3.13Å; V141-L145 PolarHBondContact O-N 3.02Å
142	C	97.6	Very high	94.2	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-39.7	173.6	-170.2	0	0	0	0	112.3	Y128 Q131 I140 L145 A146 F170	Y128-C142 WeakPolarHBondContact O-CB 3.42Å; Q131-C142 WeakPolarHBondContact O-CB 3.44Å; Q131-C142 PolarHBondContact O-N 2.91Å; I140-C142 PolarHBondContact O-N 3.5Å; C142-L145 PolarHBondContact O-N 3.5Å; C142-A146 PolarHBondContact O-N 2.87Å; C142-F170 HydrophobicContact CB-CD2 4.2Å; C142-F170 HydrophobicContact CB-CE2 4.04Å
143	K	97.9	Very high	94.4	Very high	88 Å²	88	69.9 Å²	69.9	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-72	-37.3	176.6	174.9	57.7	-175.7	-104.2	0	112.1	I140 V141 L145 A146 S147 F170	I140-K143 HydrophobicContact CB-CB 4.25Å; I140-K143 HydrophobicContact CG2-CB 3.79Å; I140-K143 WeakPolarHBondContact O-CB 3.41Å; I140-K143 PolarHBondContact O-N 3.31Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 3.44Å; K143-L145 VanDerWaalsContact C-N 3.35Å; K143-A146 PolarHBondContact O-N 2.77Å; K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 3.28Å; K143-S147 PolarHBondContact O-OG 3.4Å; K143-F170 HydrophobicContact CB-CB 4.45Å; K143-F170 HydrophobicContact CB-CD2 3.98Å; K143-F170 HydrophobicContact CB-CE2 4.35Å; K143-F170 HydrophobicContact CB-CG 4.08Å; K143-F170 HydrophobicContact CD-CB 3.64Å; K143-F170 HydrophobicContact CD-CD1 4.25Å; K143-F170 HydrophobicContact CD-CG 3.96Å; K143-F170 WeakPolarHBondContact CD-O 3.43Å; K143-F170 VanDerWaalsContact CE-O 3.32Å; K143-F170 WeakPolarHBondContact CE-O 3.37Å
144	L	98.3	Very high	94.8	Very high	99 Å²	99	65.8 Å²	65.8	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-58.5	-49.7	172.6	172.1	62.7	0	0	0	110.1	I140 V141 A146 S147 M148	I140-L144 PolarHBondContact O-N 3.44Å; V141-L144 WeakPolarHBondContact O-CB 3.26Å; V141-L144 PolarHBondContact O-N 3.05Å; V141-L144 VanDerWaalsContact O-N 3.13Å; L144-A146 PolarHBondContact O-N 2.96Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.95Å; L144-S147 VanDerWaalsContact O-N 3.1Å; L144-M148 HydrophobicContact CD1-CG 4.24Å; L144-M148 HydrophobicContact CD1-SD 4.2Å; L144-M148 HydrophobicContact CG-SD 4.05Å; L144-M148 WeakPolarHBondContact O-CG 3.49Å; L144-M148 PolarHBondContact O-N 3.04Å
145	L	98.4	Very high	95.2	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-47.3	178.5	178.6	62.9	0	0	0	112.1	V101 F126 P127 Y128 V141 C142 K143 S147 M148 L149	V101-L145 HydrophobicContact CG1-CD1 3.5Å; V101-L145 HydrophobicContact CG2-CD1 4.13Å; F126-L145 HydrophobicContact CE1-CD2 3.94Å; F126-L145 HydrophobicContact CE1-CG 4.5Å; F126-L145 HydrophobicContact CE2-CD2 4.23Å; F126-L145 HydrophobicContact CZ-CD2 3.67Å; F126-L145 HydrophobicContact CZ-CG 3.94Å; P127-L145 HydrophobicContact CG-CD2 3.75Å; P127-L145 WeakPolarHBondContact O-CD2 3.15Å; Y128-L145 HydrophobicContact CD2-CD2 4.07Å; V141-L145 PolarHBondContact O-N 3.02Å; C142-L145 PolarHBondContact O-N 3.5Å; K143-L145 VanDerWaalsContact C-N 3.35Å; L145-S147 PolarHBondContact O-N 2.97Å; L145-M148 PolarHBondContact O-N 3.2Å; L145-M148 VanDerWaalsContact O-N 3.13Å; L145-L149 HydrophobicContact CD1-CG 4.4Å; L145-L149 HydrophobicContact CG-CD1 4.26Å; L145-L149 WeakPolarHBondContact O-CG 3.08Å; L145-L149 PolarHBondContact O-N 2.96Å
146	A	98.3	Very high	95.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-38.6	176.1	0	0	0	0	0	112	C142 K143 L144 A150 F170 F171	C142-A146 PolarHBondContact O-N 2.87Å; K143-A146 PolarHBondContact O-N 2.77Å; L144-A146 PolarHBondContact O-N 2.96Å; A146-A150 PolarHBondContact O-N 2.81Å; A146-A150 VanDerWaalsContact O-N 3.15Å; A146-F170 HydrophobicContact CB-CB 4.02Å; A146-F171 HydrophobicContact CB-CD1 3.75Å; A146-F171 HydrophobicContact CB-CD2 4.44Å; A146-F171 HydrophobicContact CB-CE1 3.73Å; A146-F171 HydrophobicContact CB-CE2 4.43Å; A146-F171 HydrophobicContact CB-CG 4.14Å; A146-F171 HydrophobicContact CB-CZ 4.1Å
147	S	98.5	Very high	96.5	Very high	51 Å²	51	49 Å²	49	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-69.7	-40	177.2	-53.5	0	0	0	0	112.2	K143 L144 L145 A150 K151	K143-S147 WeakPolarHBondContact O-CB 3.44Å; K143-S147 PolarHBondContact O-N 3.28Å; K143-S147 PolarHBondContact O-OG 3.4Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 2.95Å; L144-S147 VanDerWaalsContact O-N 3.1Å; L145-S147 PolarHBondContact O-N 2.97Å; S147-A150 PolarHBondContact O-N 2.92Å; S147-K151 WeakPolarHBondContact O-CG 3.37Å; S147-K151 PolarHBondContact O-N 2.58Å
148	M	98.6	Very high	97.2	Very high	78 Å²	78	39.9 Å²	39.9	38%	0.384	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-42.4	175.8	-69.2	175	70.9	0	0	111.6	L105 L144 L145 A150 K151 A152	L105-M148 HydrophobicContact CD1-CB 4.47Å; L105-M148 HydrophobicContact CD1-CE 3.68Å; L105-M148 HydrophobicContact CD2-CB 4Å; L144-M148 HydrophobicContact CD1-CG 4.24Å; L144-M148 HydrophobicContact CD1-SD 4.2Å; L144-M148 HydrophobicContact CG-SD 4.05Å; L144-M148 WeakPolarHBondContact O-CG 3.49Å; L144-M148 PolarHBondContact O-N 3.04Å; L145-M148 PolarHBondContact O-N 3.2Å; L145-M148 VanDerWaalsContact O-N 3.13Å; M148-A150 VanDerWaalsContact C-N 3.35Å; M148-A150 PolarHBondContact O-N 3.22Å; M148-K151 PolarHBondContact O-N 3.46Å; M148-A152 WeakPolarHBondContact O-CB 3.36Å; M148-A152 PolarHBondContact O-N 2.86Å
149	L	98.5	Very high	97.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-43.1	175.8	-71.4	171.5	0	0	0	112	L104 L105 I123 F126 L145 K151 A152 G153 L154 F171	L104-L149 HydrophobicContact CD2-CD2 3.62Å; L104-L149 HydrophobicContact CG-CD2 3.98Å; L105-L149 HydrophobicContact CD2-CD2 3.86Å; L105-L149 HydrophobicContact CD2-CG 4.36Å; I123-L149 HydrophobicContact CD1-CD1 4.27Å; F126-L149 HydrophobicContact CE2-CD1 3.61Å; F126-L149 HydrophobicContact CZ-CD1 3.93Å; L145-L149 HydrophobicContact CD1-CG 4.4Å; L145-L149 HydrophobicContact CG-CD1 4.26Å; L145-L149 WeakPolarHBondContact O-CG 3.08Å; L145-L149 PolarHBondContact O-N 2.96Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.26Å; L149-A152 PolarHBondContact O-N 3.18Å; L149-G153 PolarHBondContact O-N 3Å; L149-G153 VanDerWaalsContact O-N 3.15Å; L149-L154 HydrophobicContact CB-CD2 4.23Å; L149-L154 HydrophobicContact CD2-CD1 4.43Å; L149-L154 HydrophobicContact CD2-CD2 4.07Å; L149-L154 PolarHBondContact O-N 2.85Å; L149-L154 VanDerWaalsContact O-N 3.13Å; L149-F171 HydrophobicContact CD1-CE1 4.27Å
150	A	98.1	Very high	98	Very high	25 Å²	25	34.4 Å²	34.4	21%	0.207	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-43	174.4	0	0	0	0	0	111.7	A146 S147 M148 G153 F173	A146-A150 PolarHBondContact O-N 2.81Å; A146-A150 VanDerWaalsContact O-N 3.15Å; S147-A150 PolarHBondContact O-N 2.92Å; M148-A150 VanDerWaalsContact C-N 3.35Å; M148-A150 PolarHBondContact O-N 3.22Å; A150-G153 PolarHBondContact O-N 3.39Å; A150-F173 HydrophobicContact CB-CD1 3.89Å; A150-F173 HydrophobicContact CB-CE1 3.66Å
151	K	98.4	Very high	98.1	Very high	168 Å²	168	31.6 Å²	31.6	73%	0.73	17%	0.167	S	C	*	.	H	α-helix	trans	-68.3	-38.6	178.7	-68.9	-60.6	-179.4	-174.6	0	112.7	K112 S147 M148 L149 G153	K112-K151 PolarHBondContact NZ-O 3.07Å; S147-K151 WeakPolarHBondContact O-CG 3.37Å; S147-K151 PolarHBondContact O-N 2.58Å; M148-K151 PolarHBondContact O-N 3.46Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 3.26Å; K151-G153 PolarHBondContact O-N 3.1Å
152	A	98.4	Very high	98.1	Very high	9 Å²	9	30.5 Å²	30.5	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-33.1	175.6	0	0	0	0	0	112.1	L105 A108 Y109 K112 M148 L149	L105-A152 HydrophobicContact CB-CB 4.43Å; L105-A152 HydrophobicContact CD2-CB 3.63Å; A108-A152 HydrophobicContact CB-CB 4.14Å; Y109-A152 WeakPolarHBondContact CA-O 3.1Å; K112-A152 WeakPolarHBondContact CD-O 3.2Å; M148-A152 WeakPolarHBondContact O-CB 3.36Å; M148-A152 PolarHBondContact O-N 2.86Å; L149-A152 PolarHBondContact O-N 3.18Å
153	G	97.6	Very high	98	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	131.1	9	172	0	0	0	0	0	116.1	L149 A150 K151 T155	L149-G153 PolarHBondContact O-N 3Å; L149-G153 VanDerWaalsContact O-N 3.15Å; A150-G153 PolarHBondContact O-N 3.39Å; K151-G153 PolarHBondContact O-N 3.1Å; G153-T155 PolarHBondContact O-N 3.17Å
154	L	98.5	Very high	97.7	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.042	16%	0.163	C	C	.	.			trans	-62.2	134.8	174.2	-90.7	65.7	0	0	0	110.1	A108 I119 I123 L149 F173	A108-L154 HydrophobicContact CB-CD1 3.32Å; I119-L154 HydrophobicContact CG2-CD1 4.29Å; I119-L154 WeakPolarHBondContact O-CA 3.48Å; I123-L154 HydrophobicContact CD1-CD2 4.39Å; L149-L154 HydrophobicContact CB-CD2 4.23Å; L149-L154 HydrophobicContact CD2-CD1 4.43Å; L149-L154 HydrophobicContact CD2-CD2 4.07Å; L149-L154 PolarHBondContact O-N 2.85Å; L149-L154 VanDerWaalsContact O-N 3.13Å; L154-F173 HydrophobicContact CB-CE1 4.16Å; L154-F173 HydrophobicContact CB-CE2 4.39Å; L154-F173 HydrophobicContact CB-CZ 3.84Å
155	T	98.3	Very high	97.4	Very high	50 Å²	50	29.1 Å²	29.1	31%	0.307	15%	0.152	S	C	.	.	S	Bend	trans	-105.7	-18.5	178.1	62.3	0	0	0	0	112.2	I119 G153 F173	I119-T155 PolarHBondContact N-OG1 3.1Å; I119-T155 PolarHBondContact O-N 3.11Å; I119-T155 PolarHBondContact O-OG1 3.32Å; G153-T155 PolarHBondContact O-N 3.17Å; T155-F173 WeakPolarHBondContact O-CB 3.25Å
156	H	98.5	Very high	97.3	Very high	32 Å²	32	34 Å²	34	15%	0.148	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	149.9	178.8	-161.2	162.2	0	0	0	108.2	I120 G121 P174 D176	I120-H156 CarbonylContact C-O 3.56Å; I120-H156 WeakPolarHBondContact CA-O 3.27Å; I120-H156 HydrophobicContact CB-CB 4.4Å; I120-H156 HydrophobicContact CG1-CB 3.96Å; I120-H156 HydrophobicContact CG2-CB 4.13Å; G121-H156 PolarHBondContact N-O 3.09Å; H156-P174 VanDerWaalsContact CD2-C 3.46Å; H156-P174 PolarHBondContact CD2-O 3.07Å; H156-D176 IonicContact CE1-OD2 3.5Å; H156-D176 PolarHBondContact CE1-OD2 3.14Å; H156-D176 IonicContact NE2-OD2 2.84Å; H156-D176 PolarHBondContact NE2-OD2 3.31Å
157	I	98.3	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	166.5	-173.9	-179.5	0	0	0	111.4	G121 I123 F126 F171 F173 P174 V175 D176	G121-I157 CarbonylContact O-C 3.59Å; G121-I157 VanDerWaalsContact O-CA 3.22Å; G121-I157 WeakPolarHBondContact O-CA 3.36Å; G121-I157 WeakPolarHBondContact O-CG1 3.43Å; I123-I157 HydrophobicContact CB-CD1 4.28Å; I123-I157 HydrophobicContact CB-CG1 4.46Å; I123-I157 HydrophobicContact CD1-CD1 3.71Å; I123-I157 HydrophobicContact CD1-CG1 4.05Å; I123-I157 HydrophobicContact CG1-CD1 4.39Å; I123-I157 HydrophobicContact CG1-CG1 4.42Å; F126-I157 HydrophobicContact CD2-CD1 3.69Å; F126-I157 HydrophobicContact CE2-CD1 3.71Å; I157-F171 HydrophobicContact CD1-CE1 3.87Å; I157-F171 HydrophobicContact CD1-CZ 3.78Å; I157-F171 HydrophobicContact CG2-CD1 4.22Å; I157-F171 HydrophobicContact CG2-CE1 4.12Å; I157-F171 HydrophobicContact CG2-CG 4.48Å; I157-F171 HydrophobicContact CG2-CZ 4.29Å; I157-F173 HydrophobicContact CB-CE2 3.89Å; I157-F173 HydrophobicContact CG2-CE2 3.73Å; I157-P174 PolarHBondContact N-O 2.82Å; I157-V175 HydrophobicContact CG2-CB 3.94Å; I157-V175 HydrophobicContact CG2-CG1 3.8Å; I157-V175 HydrophobicContact CG2-CG2 3.61Å; I157-V175 WeakPolarHBondContact O-CA 3.26Å; I157-D176 PolarHBondContact O-N 2.56Å
158	I	98.4	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.7	162.9	-50.5	176.4	0	0	0	106.9	I120 G121 V122 I123 D176 L178 L359 A362 I363 I366	I120-I158 HydrophobicContact CG2-CD1 4.13Å; I120-I158 HydrophobicContact CG2-CG1 3.93Å; G121-I158 PolarHBondContact O-N 3.44Å; V122-I158 CarbonylContact C-O 3.48Å; V122-I158 WeakPolarHBondContact CA-O 3.16Å; V122-I158 HydrophobicContact CG1-CB 4.48Å; V122-I158 HydrophobicContact CG2-CB 4.42Å; V122-I158 HydrophobicContact CG2-CD1 4.01Å; V122-I158 HydrophobicContact CG2-CG1 4.48Å; I123-I158 PolarHBondContact N-O 3.31Å; I158-D176 WeakPolarHBondContact CA-O 3.32Å; I158-D176 HydrophobicContact CG1-CB 4.49Å; I158-D176 HydrophobicContact CG2-CB 4.49Å; I158-L178 HydrophobicContact CG2-CD1 3.58Å; I158-L178 HydrophobicContact CG2-CG 4Å; I158-L359 HydrophobicContact CG2-CD2 4.29Å; I158-A362 HydrophobicContact CD1-CB 4.12Å; I158-A362 HydrophobicContact CG2-CB 4.09Å; I158-I363 HydrophobicContact CD1-CG1 3.98Å; I158-I366 HydrophobicContact CD1-CD1 3.4Å; I158-I366 VanDerWaalsContact CD1-CD1 3.4Å; I158-I366 HydrophobicContact CG1-CD1 3.58Å
159	T	98.5	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	174.9	177.6	-167.2	0	0	0	0	109.6	I123 L162 V175 D176 N177 L178	I123-T159 WeakPolarHBondContact O-CA 3.22Å; I123-T159 VanDerWaalsContact O-CB 3.26Å; I123-T159 WeakPolarHBondContact O-CB 3.39Å; I123-T159 PolarHBondContact O-OG1 2.84Å; T159-L162 HydrophobicContact CG2-CD1 3.94Å; T159-L162 HydrophobicContact CG2-CD2 3.82Å; T159-L162 HydrophobicContact CG2-CG 3.65Å; T159-V175 HydrophobicContact CG2-CG1 4.35Å; T159-D176 PolarHBondContact N-O 2.95Å; T159-D176 VanDerWaalsContact O-O 3.12Å; T159-N177 HydrophobicContact CG2-CB 4.27Å; T159-L178 WeakPolarHBondContact O-CB 3.37Å; T159-L178 WeakPolarHBondContact O-CG 3.5Å; T159-L178 PolarHBondContact O-N 3.33Å
160	M	97.5	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.9	178.6	-163.9	166.1	64.4	0	0	110.3	P124 L162 L178 A180 T312 H313 T335 T337 I355 I358	P124-M160 PolarHBondContact O-N 3.35Å; M160-L162 PolarHBondContact O-N 3.43Å; M160-L178 WeakPolarHBondContact CA-O 3.22Å; M160-L178 HydrophobicContact CB-CB 4.36Å; M160-L178 HydrophobicContact CG-CB 4.09Å; M160-L178 WeakPolarHBondContact CG-O 3.33Å; M160-A180 HydrophobicContact CE-CB 3.88Å; M160-A180 HydrophobicContact CG-CB 4.48Å; M160-A180 HydrophobicContact SD-CB 3.89Å; M160-T312 HydrophobicContact CE-CG2 3.58Å; M160-T312 HydrophobicContact CG-CG2 4.35Å; M160-H313 PolarHBondContact O-CE1 2.91Å; M160-H313 PolarHBondContact O-NE2 3.39Å; M160-H313 VanDerWaalsContact O-NE2 3.08Å; M160-T335 HydrophobicContact CE-CG2 4.5Å; M160-T337 HydrophobicContact CE-CG2 3.04Å; M160-I355 HydrophobicContact CE-CB 3.94Å; M160-I355 HydrophobicContact CE-CD1 4.25Å; M160-I355 HydrophobicContact CE-CG1 3.58Å; M160-I355 HydrophobicContact CE-CG2 3.95Å; M160-I355 HydrophobicContact SD-CB 4.29Å; M160-I355 HydrophobicContact SD-CG1 4.49Å; M160-I355 HydrophobicContact SD-CG2 4.33Å; M160-I358 HydrophobicContact SD-CG2 4.16Å
161	D	96.5	Very high	97	Very high	6 Å²	6	36 Å²	36	3%	0.032	19%	0.188	C	C	.	.	S	Bend	trans	41.1	59	177	-70.4	-43.8	0	0	0	115	H163 N177 L178 R179 A180 T312 H313	D161-H163 PolarHBondContact O-N 2.88Å; D161-N177 PolarHBondContact N-OD1 2.96Å; D161-L178 PolarHBondContact N-O 2.61Å; D161-R179 WeakPolarHBondContact OD1-CD 3.47Å; D161-R179 IonicContact OD1-CZ 2.66Å; D161-R179 IonicContact OD1-NE 3.17Å; D161-R179 IonicContact OD1-NH1 2.65Å; D161-R179 PolarHBondContact OD1-NH1 3.32Å; D161-R179 VanDerWaalsContact OD1-NH1 3.08Å; D161-A180 VanDerWaalsContact OD2-CB 3.31Å; D161-A180 WeakPolarHBondContact OD2-CB 3.36Å; D161-A180 PolarHBondContact OD2-N 3.15Å; D161-T312 HydrophobicContact CB-CG2 3.89Å; D161-T312 WeakPolarHBondContact OD2-CG2 3.39Å; D161-T312 PolarHBondContact OD2-OG1 3.3Å; D161-H313 PolarHBondContact O-NE2 2.83Å
162	L	97.1	Very high	97	Very high	7 Å²	7	33 Å²	33	4%	0.037	19%	0.188	C	C	.	.			trans	-47.4	132.4	170.4	-73.9	172.9	0	0	0	111.6	F126 T159 M160 Q164 I167 Q168 V175 N177	F126-L162 HydrophobicContact CB-CD2 3.67Å; F126-L162 HydrophobicContact CD1-CD2 4.34Å; F126-L162 HydrophobicContact CG-CD2 4.14Å; T159-L162 HydrophobicContact CG2-CD1 3.94Å; T159-L162 HydrophobicContact CG2-CD2 3.82Å; T159-L162 HydrophobicContact CG2-CG 3.65Å; M160-L162 PolarHBondContact O-N 3.43Å; L162-Q164 PolarHBondContact O-N 2.88Å; L162-I167 HydrophobicContact CD1-CB 4.15Å; L162-I167 HydrophobicContact CD1-CG2 4.18Å; L162-I167 HydrophobicContact CD2-CG2 4.04Å; L162-Q168 HydrophobicContact CD1-CG 3.67Å; L162-V175 HydrophobicContact CD1-CG1 4.45Å; L162-N177 HydrophobicContact CD1-CB 4.08Å; L162-N177 HydrophobicContact CG-CB 4.48Å; L162-N177 WeakPolarHBondContact CG-OD1 3.45Å; L162-N177 PolarHBondContact N-OD1 3.32Å
163	H	95.1	Very high	96.9	Very high	49 Å²	49	33.8 Å²	33.8	23%	0.227	19%	0.19	C	C	.	.	S	Bend	trans	-48.3	-38.1	-177.2	-177.9	59	0	0	0	113.6	D161 I167 D284 I285	D161-H163 PolarHBondContact O-N 2.88Å; H163-I167 HydrophobicContact CB-CD1 4.31Å; H163-D284 WeakPolarHBondContact CA-OD2 3.37Å; H163-D284 IonicContact CE1-OD2 3.56Å; H163-D284 IonicContact CG-OD2 3.96Å; H163-D284 IonicContact ND1-OD1 2.99Å; H163-D284 IonicContact ND1-OD2 3.43Å; H163-D284 PolarHBondContact ND1-OD2 3.16Å; H163-I285 HydrophobicContact CB-CD1 4.24Å
164	Q	92.8	Very high	96.9	Very high	42 Å²	42	37.2 Å²	37.2	20%	0.196	21%	0.211	C	C	.	.	S	Bend	trans	-132	131	168.2	-58.8	-71.6	-80.9	0	0	107.4	L162 E166 I167	L162-Q164 PolarHBondContact O-N 2.88Å; Q164-E166 WeakPolarHBondContact CB-OE2 3.48Å; Q164-E166 PolarHBondContact O-N 2.88Å; Q164-E166 VanDerWaalsContact O-N 3.17Å; Q164-I167 HydrophobicContact CB-CD1 4.16Å; Q164-I167 HydrophobicContact CB-CG1 4.18Å; Q164-I167 VanDerWaalsContact O-CB 3.26Å; Q164-I167 WeakPolarHBondContact O-CB 3.39Å; Q164-I167 WeakPolarHBondContact O-CD1 3.47Å; Q164-I167 VanDerWaalsContact O-CG1 3.22Å; Q164-I167 WeakPolarHBondContact O-CG1 3.49Å; Q164-I167 PolarHBondContact O-N 3.24Å
165	K	92	Very high	96.9	Very high	67 Å²	67	37.9 Å²	37.9	29%	0.291	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.6	-25.6	-177.6	62.6	-175.4	175.5	-170.3	0	112.9	I167 Q168 V381 D382	K165-I167 PolarHBondContact O-N 3.47Å; K165-Q168 WeakPolarHBondContact O-CB 3.28Å; K165-Q168 VanDerWaalsContact O-CG 3.31Å; K165-Q168 WeakPolarHBondContact O-CG 3.41Å; K165-Q168 PolarHBondContact O-N 2.87Å; K165-Q168 PolarHBondContact O-NE2 3.06Å; K165-V381 PolarHBondContact NZ-O 2.72Å; K165-D382 IonicContact NZ-OD1 2.89Å
166	E	94.6	Very high	96.8	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-64.8	-19.4	177.6	-61.3	73.8	-161.8	0	0	112.7	Q164 Q168 G169	Q164-E166 WeakPolarHBondContact CB-OE2 3.48Å; Q164-E166 PolarHBondContact O-N 2.88Å; Q164-E166 VanDerWaalsContact O-N 3.17Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-Q168 VanDerWaalsContact O-N 3.12Å; E166-G169 PolarHBondContact O-N 2.84Å
167	I	97	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.2	174	-66	168.1	0	0	0	111.1	L162 H163 Q164 K165 G169 F170 F171	L162-I167 HydrophobicContact CD1-CB 4.15Å; L162-I167 HydrophobicContact CD1-CG2 4.18Å; L162-I167 HydrophobicContact CD2-CG2 4.04Å; H163-I167 HydrophobicContact CB-CD1 4.31Å; Q164-I167 HydrophobicContact CB-CD1 4.16Å; Q164-I167 HydrophobicContact CB-CG1 4.18Å; Q164-I167 VanDerWaalsContact O-CB 3.26Å; Q164-I167 WeakPolarHBondContact O-CB 3.39Å; Q164-I167 WeakPolarHBondContact O-CD1 3.47Å; Q164-I167 VanDerWaalsContact O-CG1 3.22Å; Q164-I167 WeakPolarHBondContact O-CG1 3.49Å; Q164-I167 PolarHBondContact O-N 3.24Å; K165-I167 PolarHBondContact O-N 3.47Å; I167-G169 PolarHBondContact O-N 3.19Å; I167-F170 HydrophobicContact CB-CD2 4.31Å; I167-F170 HydrophobicContact CB-CE2 4.49Å; I167-F170 HydrophobicContact CG1-CD2 4.33Å; I167-F170 HydrophobicContact CG1-CE2 4.04Å; I167-F170 HydrophobicContact CG2-CD2 4.01Å; I167-F170 VanDerWaalsContact O-CB 3.23Å; I167-F170 WeakPolarHBondContact O-CB 3.41Å; I167-F170 PolarHBondContact O-N 2.73Å; I167-F171 HydrophobicContact CG2-CE2 4.08Å; I167-F171 WeakPolarHBondContact O-CD2 3.31Å
168	Q	96.4	Very high	96.6	Very high	77 Å²	77	35.5 Å²	35.5	36%	0.36	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-54.9	-35.4	173.4	-65.8	179.2	50.1	0	0	112.2	L162 K165 E166 F170 F171 V175 N177	L162-Q168 HydrophobicContact CD1-CG 3.67Å; K165-Q168 WeakPolarHBondContact O-CB 3.28Å; K165-Q168 VanDerWaalsContact O-CG 3.31Å; K165-Q168 WeakPolarHBondContact O-CG 3.41Å; K165-Q168 PolarHBondContact O-N 2.87Å; K165-Q168 PolarHBondContact O-NE2 3.06Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-Q168 VanDerWaalsContact O-N 3.12Å; Q168-F170 PolarHBondContact O-N 3.29Å; Q168-F171 PolarHBondContact O-N 3Å; Q168-V175 HydrophobicContact CB-CB 4.45Å; Q168-V175 HydrophobicContact CB-CG1 4.43Å; Q168-V175 HydrophobicContact CG-CB 4.33Å; Q168-V175 HydrophobicContact CG-CG1 3.86Å; Q168-N177 HydrophobicContact CG-CB 4.19Å
169	G	97.3	Very high	96.4	Very high	62 Å²	62	36.3 Å²	36.3	64%	0.639	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-72.9	-4.6	176.7	0	0	0	0	0	114.7	E166 I167	E166-G169 PolarHBondContact O-N 2.84Å; I167-G169 PolarHBondContact O-N 3.19Å
170	F	97.9	Very high	96.3	Very high	41 Å²	41	36.3 Å²	36.3	18%	0.18	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-78.9	-26.4	175.2	-66.4	-6.3	0	0	0	112.6	I140 C142 K143 A146 I167 Q168	I140-F170 HydrophobicContact CG2-CE2 3.83Å; I140-F170 HydrophobicContact CG2-CZ 3.95Å; C142-F170 HydrophobicContact CB-CD2 4.2Å; C142-F170 HydrophobicContact CB-CE2 4.04Å; K143-F170 HydrophobicContact CB-CB 4.45Å; K143-F170 HydrophobicContact CB-CD2 3.98Å; K143-F170 HydrophobicContact CB-CE2 4.35Å; K143-F170 HydrophobicContact CB-CG 4.08Å; K143-F170 HydrophobicContact CD-CB 3.64Å; K143-F170 HydrophobicContact CD-CD1 4.25Å; K143-F170 HydrophobicContact CD-CG 3.96Å; K143-F170 WeakPolarHBondContact CD-O 3.43Å; K143-F170 VanDerWaalsContact CE-O 3.32Å; K143-F170 WeakPolarHBondContact CE-O 3.37Å; A146-F170 HydrophobicContact CB-CB 4.02Å; I167-F170 HydrophobicContact CB-CD2 4.31Å; I167-F170 HydrophobicContact CB-CE2 4.49Å; I167-F170 HydrophobicContact CG1-CD2 4.33Å; I167-F170 HydrophobicContact CG1-CE2 4.04Å; I167-F170 HydrophobicContact CG2-CD2 4.01Å; I167-F170 VanDerWaalsContact O-CB 3.23Å; I167-F170 WeakPolarHBondContact O-CB 3.41Å; I167-F170 PolarHBondContact O-N 2.73Å; Q168-F170 PolarHBondContact O-N 3.29Å
171	F	98.2	Very high	96.2	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.075	21%	0.205	C	C	.	.			trans	-82.7	142.3	-179.7	-60.7	-90.5	0	0	0	110.8	F126 A146 L149 I157 I167 Q168 F173 V175	F126-F171 HydrophobicContact CD2-CZ 4.18Å; F126-F171 AromaticContact CE1-CZ 3.92Å; F126-F171 HydrophobicContact CE1-CZ 3.92Å; F126-F171 AromaticContact CE2-CE1 3.93Å; F126-F171 HydrophobicContact CE2-CE1 3.93Å; F126-F171 AromaticContact CE2-CZ 3.54Å; F126-F171 HydrophobicContact CE2-CZ 3.54Å; F126-F171 AromaticContact CZ-CE1 3.86Å; F126-F171 HydrophobicContact CZ-CE1 3.86Å; F126-F171 HydrophobicContact CZ-CE2 4.45Å; F126-F171 AromaticContact CZ-CZ 3.39Å; F126-F171 HydrophobicContact CZ-CZ 3.39Å; A146-F171 HydrophobicContact CB-CD1 3.75Å; A146-F171 HydrophobicContact CB-CD2 4.44Å; A146-F171 HydrophobicContact CB-CE1 3.73Å; A146-F171 HydrophobicContact CB-CE2 4.43Å; A146-F171 HydrophobicContact CB-CG 4.14Å; A146-F171 HydrophobicContact CB-CZ 4.1Å; L149-F171 HydrophobicContact CD1-CE1 4.27Å; I157-F171 HydrophobicContact CD1-CE1 3.87Å; I157-F171 HydrophobicContact CD1-CZ 3.78Å; I157-F171 HydrophobicContact CG2-CD1 4.22Å; I157-F171 HydrophobicContact CG2-CE1 4.12Å; I157-F171 HydrophobicContact CG2-CG 4.48Å; I157-F171 HydrophobicContact CG2-CZ 4.29Å; I167-F171 HydrophobicContact CG2-CE2 4.08Å; I167-F171 WeakPolarHBondContact O-CD2 3.31Å; Q168-F171 PolarHBondContact O-N 3Å; F171-F173 VanDerWaalsContact C-N 3.25Å; F171-F173 HydrophobicContact CB-CD2 4.44Å; F171-F173 HydrophobicContact CB-CE2 4.38Å; F171-F173 HydrophobicContact CD1-CE1 4.09Å; F171-F173 AromaticContact CD1-CE2 3.76Å; F171-F173 HydrophobicContact CD1-CE2 3.76Å; F171-F173 AromaticContact CD1-CZ 3.46Å; F171-F173 HydrophobicContact CD1-CZ 3.46Å; F171-F173 VanDerWaalsContact CD1-CZ 3.46Å; F171-F173 HydrophobicContact CE1-CE2 4.47Å; F171-F173 HydrophobicContact CE1-CZ 4.13Å; F171-F173 HydrophobicContact CG-CE2 4.39Å; F171-F173 HydrophobicContact CG-CZ 4.4Å; F171-V175 HydrophobicContact CB-CG2 3.61Å; F171-V175 HydrophobicContact CD2-CG2 3.46Å; F171-V175 VanDerWaalsContact CD2-CG2 3.46Å; F171-V175 HydrophobicContact CE2-CG2 4.22Å; F171-V175 HydrophobicContact CG-CG2 3.61Å
172	S	97.5	Very high	96	Very high	105 Å²	105	38.3 Å²	38.3	73%	0.734	22%	0.218	S	C	*	.	S	Bend	trans	-90.1	9.1	174.1	63.2	0	0	0	0	112.8
173	F	97.6	Very high	96	Very high	27 Å²	27	39.9 Å²	39.9	12%	0.118	23%	0.225	C	C	.	.	S	Bend	trans	-141	164	-175.2	57	-106	0	0	0	109.3	A150 L154 T155 I157 F171	A150-F173 HydrophobicContact CB-CD1 3.89Å; A150-F173 HydrophobicContact CB-CE1 3.66Å; L154-F173 HydrophobicContact CB-CE1 4.16Å; L154-F173 HydrophobicContact CB-CE2 4.39Å; L154-F173 HydrophobicContact CB-CZ 3.84Å; T155-F173 WeakPolarHBondContact O-CB 3.25Å; I157-F173 HydrophobicContact CB-CE2 3.89Å; I157-F173 HydrophobicContact CG2-CE2 3.73Å; F171-F173 VanDerWaalsContact C-N 3.25Å; F171-F173 HydrophobicContact CB-CD2 4.44Å; F171-F173 HydrophobicContact CB-CE2 4.38Å; F171-F173 HydrophobicContact CD1-CE1 4.09Å; F171-F173 AromaticContact CD1-CE2 3.76Å; F171-F173 HydrophobicContact CD1-CE2 3.76Å; F171-F173 AromaticContact CD1-CZ 3.46Å; F171-F173 HydrophobicContact CD1-CZ 3.46Å; F171-F173 VanDerWaalsContact CD1-CZ 3.46Å; F171-F173 HydrophobicContact CE1-CE2 4.47Å; F171-F173 HydrophobicContact CE1-CZ 4.13Å; F171-F173 HydrophobicContact CG-CE2 4.39Å; F171-F173 HydrophobicContact CG-CZ 4.4Å
174	P	97.6	Very high	96	Very high	80 Å²	80	37.5 Å²	37.5	52%	0.519	21%	0.214	S	C	.	.			trans	-55.9	146.5	-176.5	-27.3	36.5	0	0	0	113.8	H156 I157	H156-P174 VanDerWaalsContact CD2-C 3.46Å; H156-P174 PolarHBondContact CD2-O 3.07Å; I157-P174 PolarHBondContact N-O 2.82Å
175	V	97.6	Very high	96.2	Very high	23 Å²	23	36.3 Å²	36.3	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.1	-179.8	179.2	0	0	0	0	108.7	I157 T159 L162 Q168 F171	I157-V175 HydrophobicContact CG2-CB 3.94Å; I157-V175 HydrophobicContact CG2-CG1 3.8Å; I157-V175 HydrophobicContact CG2-CG2 3.61Å; I157-V175 WeakPolarHBondContact O-CA 3.26Å; T159-V175 HydrophobicContact CG2-CG1 4.35Å; L162-V175 HydrophobicContact CD1-CG1 4.45Å; Q168-V175 HydrophobicContact CB-CB 4.45Å; Q168-V175 HydrophobicContact CB-CG1 4.43Å; Q168-V175 HydrophobicContact CG-CB 4.33Å; Q168-V175 HydrophobicContact CG-CG1 3.86Å; F171-V175 HydrophobicContact CB-CG2 3.61Å; F171-V175 HydrophobicContact CD2-CG2 3.46Å; F171-V175 VanDerWaalsContact CD2-CG2 3.46Å; F171-V175 HydrophobicContact CE2-CG2 4.22Å; F171-V175 HydrophobicContact CG-CG2 3.61Å
176	D	96.9	Very high	96.4	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.134	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	98.2	166.9	-79.2	-53.2	0	0	0	108.9	H156 I157 I158 T159 L178 I366 M372	H156-D176 IonicContact CE1-OD2 3.5Å; H156-D176 PolarHBondContact CE1-OD2 3.14Å; H156-D176 IonicContact NE2-OD2 2.84Å; H156-D176 PolarHBondContact NE2-OD2 3.31Å; I157-D176 PolarHBondContact O-N 2.56Å; I158-D176 WeakPolarHBondContact CA-O 3.32Å; I158-D176 HydrophobicContact CG1-CB 4.49Å; I158-D176 HydrophobicContact CG2-CB 4.49Å; T159-D176 PolarHBondContact N-O 2.95Å; T159-D176 VanDerWaalsContact O-O 3.12Å; D176-L178 PolarHBondContact O-N 3.11Å; D176-I366 VanDerWaalsContact OD2-CD1 3.26Å; D176-I366 WeakPolarHBondContact OD2-CD1 3.25Å; D176-M372 HydrophobicContact CB-CE 4.14Å
177	N	96.6	Very high	96.5	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	92.2	173.6	179.5	43.4	0	0	0	110.3	T159 D161 L162 Q168 F376	T159-N177 HydrophobicContact CG2-CB 4.27Å; D161-N177 PolarHBondContact N-OD1 2.96Å; L162-N177 HydrophobicContact CD1-CB 4.08Å; L162-N177 HydrophobicContact CG-CB 4.48Å; L162-N177 WeakPolarHBondContact CG-OD1 3.45Å; L162-N177 PolarHBondContact N-OD1 3.32Å; Q168-N177 HydrophobicContact CG-CB 4.19Å; N177-F376 VanDerWaalsContact O-CE1 3.27Å; N177-F376 WeakPolarHBondContact O-CE1 2.96Å
178	L	96.1	Very high	96.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	168.9	178.5	-52.7	179	0	0	0	111.5	I158 T159 M160 D161 D176 I358 L359 A362 M372 L375 F376	I158-L178 HydrophobicContact CG2-CD1 3.58Å; I158-L178 HydrophobicContact CG2-CG 4Å; T159-L178 WeakPolarHBondContact O-CB 3.37Å; T159-L178 WeakPolarHBondContact O-CG 3.5Å; T159-L178 PolarHBondContact O-N 3.33Å; M160-L178 WeakPolarHBondContact CA-O 3.22Å; M160-L178 HydrophobicContact CB-CB 4.36Å; M160-L178 HydrophobicContact CG-CB 4.09Å; M160-L178 WeakPolarHBondContact CG-O 3.33Å; D161-L178 PolarHBondContact N-O 2.61Å; D176-L178 PolarHBondContact O-N 3.11Å; L178-I358 HydrophobicContact CB-CD1 4.16Å; L178-I358 HydrophobicContact CD1-CG1 4.26Å; L178-L359 HydrophobicContact CD1-CD2 3.87Å; L178-A362 HydrophobicContact CD1-CB 3.79Å; L178-A362 HydrophobicContact CD2-CB 4.27Å; L178-M372 HydrophobicContact CD2-CE 3.74Å; L178-L375 HydrophobicContact CD2-CD1 4.08Å; L178-F376 HydrophobicContact CD2-CZ 4.07Å
179	R	94.5	Very high	96.6	Very high	17 Å²	17	33.4 Å²	33.4	6%	0.064	20%	0.195	C	C	.	.			trans	-124.4	140.6	175.6	-53.2	-62.8	-174.3	155.7	9.4	112.7	D161 I358 I379 D383	D161-R179 WeakPolarHBondContact OD1-CD 3.47Å; D161-R179 IonicContact OD1-CZ 2.66Å; D161-R179 IonicContact OD1-NE 3.17Å; D161-R179 IonicContact OD1-NH1 2.65Å; D161-R179 PolarHBondContact OD1-NH1 3.32Å; D161-R179 VanDerWaalsContact OD1-NH1 3.08Å; R179-I358 WeakPolarHBondContact O-CD1 3.33Å; R179-I379 HydrophobicContact CB-CD1 3.63Å; R179-I379 HydrophobicContact CB-CG2 4.46Å; R179-I379 HydrophobicContact CG-CD1 3.56Å; R179-I379 HydrophobicContact CG-CG1 4.42Å; R179-I379 HydrophobicContact CG-CG2 3.59Å; R179-D383 PolarHBondContact NH1-O 3.31Å; R179-D383 PolarHBondContact NH1-OXT 3.13Å; R179-D383 PolarHBondContact NH2-O 3.47Å
180	A	95.6	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-86.7	-14	169.1	0	0	0	0	0	113.2	M160 D161 P182 F183 L184 T312 T335	M160-A180 HydrophobicContact CE-CB 3.88Å; M160-A180 HydrophobicContact CG-CB 4.48Å; M160-A180 HydrophobicContact SD-CB 3.89Å; D161-A180 VanDerWaalsContact OD2-CB 3.31Å; D161-A180 WeakPolarHBondContact OD2-CB 3.36Å; D161-A180 PolarHBondContact OD2-N 3.15Å; A180-P182 VanDerWaalsContact C-N 3.31Å; A180-P182 VanDerWaalsContact O-N 3.13Å; A180-F183 WeakPolarHBondContact O-CB 3.27Å; A180-F183 PolarHBondContact O-N 3.15Å; A180-L184 HydrophobicContact CB-CD1 4.27Å; A180-L184 HydrophobicContact CB-CG 4.48Å; A180-L184 PolarHBondContact O-N 3.47Å; A180-T312 HydrophobicContact CB-CG2 3.56Å; A180-T335 HydrophobicContact CB-CG2 3.79Å
181	S	94.7	Very high	96.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-51	-38	-175.4	62.8	0	0	0	0	114.7	F183 L184 L185 Y214 R217 D383	S181-F183 VanDerWaalsContact C-N 3.3Å; S181-F183 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 3.38Å; S181-L185 VanDerWaalsContact O-CB 3.22Å; S181-L185 WeakPolarHBondContact O-CB 3.29Å; S181-L185 WeakPolarHBondContact O-CD1 3.44Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.36Å; S181-Y214 WeakPolarHBondContact CA-OH 3.24Å; S181-R217 PolarHBondContact OG-NH1 3.26Å; S181-R217 VanDerWaalsContact OG-NH1 3.09Å; S181-D383 WeakPolarHBondContact CB-OD2 3.25Å; S181-D383 PolarHBondContact OG-OD2 3.09Å
182	P	93.8	Very high	96.4	Very high	46 Å²	46	37.9 Å²	37.9	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-36.5	176.2	-22.3	36.1	0	0	0	113.2	A180 Q186 I379	A180-P182 VanDerWaalsContact C-N 3.31Å; A180-P182 VanDerWaalsContact O-N 3.13Å; P182-Q186 WeakPolarHBondContact O-CB 3.25Å; P182-Q186 PolarHBondContact O-N 2.83Å; P182-Q186 VanDerWaalsContact O-N 3.07Å; P182-I379 HydrophobicContact CG-CD1 4.27Å; P182-I379 HydrophobicContact CG-CG1 4.24Å
183	F	95.3	Very high	96.3	Very high	40 Å²	40	36.3 Å²	36.3	18%	0.175	19%	0.187	C	C	.	.	H	α-helix	trans	-74.9	-40.4	179.7	-67.4	-101	0	0	0	111.3	A180 S181 Q186 Y187 V353 I355 L357 I358	A180-F183 WeakPolarHBondContact O-CB 3.27Å; A180-F183 PolarHBondContact O-N 3.15Å; S181-F183 VanDerWaalsContact C-N 3.3Å; S181-F183 PolarHBondContact O-N 3.38Å; F183-Q186 PolarHBondContact O-N 3.39Å; F183-Y187 PolarHBondContact O-N 2.91Å; F183-V353 HydrophobicContact CB-CG1 3.81Å; F183-I355 HydrophobicContact CG-CG2 4.45Å; F183-L357 HydrophobicContact CE1-CB 4.45Å; F183-L357 HydrophobicContact CE1-CD2 4.24Å; F183-L357 HydrophobicContact CZ-CB 4.45Å; F183-L357 HydrophobicContact CZ-CD2 4.23Å; F183-I358 HydrophobicContact CE2-CB 3.79Å; F183-I358 HydrophobicContact CE2-CD1 4.14Å; F183-I358 HydrophobicContact CE2-CG1 4.4Å; F183-I358 HydrophobicContact CE2-CG2 4.08Å; F183-I358 HydrophobicContact CZ-CB 3.92Å; F183-I358 HydrophobicContact CZ-CG2 4.35Å
184	L	96.9	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-38.2	176.6	-64.9	176.6	0	0	0	111.9	A180 S181 Y187 I188 Y214 V333 T335 V353	A180-L184 HydrophobicContact CB-CD1 4.27Å; A180-L184 HydrophobicContact CB-CG 4.48Å; A180-L184 PolarHBondContact O-N 3.47Å; S181-L184 PolarHBondContact O-N 3.38Å; L184-Y187 WeakPolarHBondContact O-CB 3.47Å; L184-Y187 PolarHBondContact O-N 2.78Å; L184-I188 WeakPolarHBondContact O-CG1 3.16Å; L184-I188 PolarHBondContact O-N 3.47Å; L184-Y214 HydrophobicContact CB-CE1 4.09Å; L184-Y214 WeakPolarHBondContact CD1-OH 3.39Å; L184-V333 HydrophobicContact CD2-CG1 4.11Å; L184-T335 HydrophobicContact CD2-CG2 4.29Å; L184-V353 HydrophobicContact CD2-CB 4.5Å; L184-V353 HydrophobicContact CD2-CG2 4.19Å
185	L	96.2	Very high	96.1	Very high	16 Å²	16	38.7 Å²	38.7	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-42.7	172.7	-76	167.5	0	0	0	111.9	S181 Y187 I188 Q189 Y214 R217 L218	S181-L185 VanDerWaalsContact O-CB 3.22Å; S181-L185 WeakPolarHBondContact O-CB 3.29Å; S181-L185 WeakPolarHBondContact O-CD1 3.44Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.36Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; L185-I188 PolarHBondContact O-N 3.36Å; L185-Q189 WeakPolarHBondContact O-CG 3.5Å; L185-Q189 PolarHBondContact O-N 3.27Å; L185-Q189 VanDerWaalsContact O-N 3.09Å; L185-Y214 HydrophobicContact CD2-CD1 3.85Å; L185-Y214 HydrophobicContact CD2-CE1 4.39Å; L185-Y214 HydrophobicContact CD2-CG 4.28Å; L185-Y214 HydrophobicContact CG-CD1 4.24Å; L185-Y214 HydrophobicContact CG-CE1 4.29Å; L185-R217 HydrophobicContact CD1-CB 4.11Å; L185-R217 HydrophobicContact CD2-CB 4.43Å; L185-L218 HydrophobicContact CD2-CD1 3.72Å; L185-L218 HydrophobicContact CD2-CD2 3.69Å; L185-L218 HydrophobicContact CD2-CG 3.47Å; L185-L218 VanDerWaalsContact CD2-CG 3.47Å
186	Q	95.3	Very high	96.1	Very high	68 Å²	68	44.7 Å²	44.7	32%	0.318	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-44.6	174.7	-176.8	179.4	-6.5	0	0	110.7	P182 F183 I188 Q189 E190	P182-Q186 WeakPolarHBondContact O-CB 3.25Å; P182-Q186 PolarHBondContact O-N 2.83Å; P182-Q186 VanDerWaalsContact O-N 3.07Å; F183-Q186 PolarHBondContact O-N 3.39Å; Q186-I188 VanDerWaalsContact C-N 3.35Å; Q186-I188 PolarHBondContact O-N 3.02Å; Q186-Q189 PolarHBondContact O-N 3.18Å; Q186-Q189 VanDerWaalsContact O-N 3.1Å; Q186-E190 VanDerWaalsContact CG-CD 3.44Å; Q186-E190 HydrophobicContact CG-CG 4.2Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.19Å; Q186-E190 PolarHBondContact NE2-OE1 2.95Å; Q186-E190 PolarHBondContact NE2-OE2 3.1Å; Q186-E190 WeakPolarHBondContact O-CB 3.49Å; Q186-E190 WeakPolarHBondContact O-CG 3.49Å; Q186-E190 PolarHBondContact O-N 3.4Å
187	Y	97.8	Very high	96.1	Very high	38 Å²	38	46.9 Å²	46.9	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-57.2	-46.1	175.5	-172.3	-83	0	0	0	112.2	F183 L184 L185 Q189 E190 E191 M310 E331 V333 K351 V353	F183-Y187 PolarHBondContact O-N 2.91Å; L184-Y187 WeakPolarHBondContact O-CB 3.47Å; L184-Y187 PolarHBondContact O-N 2.78Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; Y187-Q189 VanDerWaalsContact C-N 3.27Å; Y187-Q189 PolarHBondContact O-N 2.75Å; Y187-E190 PolarHBondContact O-N 3.27Å; Y187-E191 HydrophobicContact CD1-CB 4.2Å; Y187-E191 HydrophobicContact CD2-CB 4.35Å; Y187-E191 HydrophobicContact CD2-CG 3.95Å; Y187-E191 HydrophobicContact CE1-CB 3.91Å; Y187-E191 HydrophobicContact CE2-CB 4.09Å; Y187-E191 HydrophobicContact CE2-CG 3.82Å; Y187-E191 HydrophobicContact CG-CB 4.41Å; Y187-E191 HydrophobicContact CG-CG 4.39Å; Y187-E191 WeakPolarHBondContact O-CB 3.5Å; Y187-E191 PolarHBondContact O-N 3.35Å; Y187-M310 HydrophobicContact CD1-CE 4.03Å; Y187-M310 HydrophobicContact CD1-SD 4.49Å; Y187-M310 HydrophobicContact CE1-CE 4.3Å; Y187-E331 WeakPolarHBondContact CE1-OE1 3.36Å; Y187-E331 PolarHBondContact OH-OE1 3.05Å; Y187-V333 HydrophobicContact CD1-CG1 3.94Å; Y187-V333 HydrophobicContact CD1-CG2 3.97Å; Y187-V333 HydrophobicContact CD2-CG1 4.26Å; Y187-V333 HydrophobicContact CE1-CB 4.32Å; Y187-V333 HydrophobicContact CE1-CG1 3.99Å; Y187-V333 HydrophobicContact CE1-CG2 3.39Å; Y187-V333 HydrophobicContact CE2-CG1 4.28Å; Y187-V333 HydrophobicContact CG-CG1 4.08Å; Y187-K351 WeakPolarHBondContact OH-CG 3.43Å; Y187-V353 HydrophobicContact CD2-CG2 3.75Å; Y187-V353 HydrophobicContact CE2-CG2 4.39Å; Y187-V353 HydrophobicContact CG-CG2 4.21Å
188	I	97.7	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-40.9	176.6	-67.3	165.7	0	0	0	111.2	L184 L185 Q186 I192 Y195 Y214 L218 I280 M310	L184-I188 WeakPolarHBondContact O-CG1 3.16Å; L184-I188 PolarHBondContact O-N 3.47Å; L185-I188 PolarHBondContact O-N 3.36Å; Q186-I188 VanDerWaalsContact C-N 3.35Å; Q186-I188 PolarHBondContact O-N 3.02Å; I188-I192 HydrophobicContact CB-CD1 4.41Å; I188-I192 HydrophobicContact CG1-CD1 4.1Å; I188-I192 HydrophobicContact CG2-CD1 4.35Å; I188-I192 WeakPolarHBondContact O-CB 3.35Å; I188-I192 PolarHBondContact O-N 3.46Å; I188-Y195 HydrophobicContact CG2-CD2 4.29Å; I188-Y195 HydrophobicContact CG2-CG 4.22Å; I188-Y214 HydrophobicContact CD1-CD1 4.13Å; I188-Y214 HydrophobicContact CD1-CE1 4.4Å; I188-L218 HydrophobicContact CD1-CD1 3.96Å; I188-L218 HydrophobicContact CG2-CD1 3.9Å; I188-L218 HydrophobicContact CG2-CD2 4.45Å; I188-I280 HydrophobicContact CD1-CD1 4.5Å; I188-I280 HydrophobicContact CD1-CG2 4.26Å; I188-I280 HydrophobicContact CG1-CD1 4.45Å; I188-I280 HydrophobicContact CG2-CD1 3.9Å; I188-M310 HydrophobicContact CD1-CG 4.32Å; I188-M310 HydrophobicContact CD1-SD 4.43Å; I188-M310 HydrophobicContact CG1-CE 3.79Å; I188-M310 HydrophobicContact CG1-SD 4.12Å
189	Q	96.9	Very high	96.3	Very high	89 Å²	89	46.7 Å²	46.7	42%	0.416	23%	0.225	S	C	.	.	H	α-helix	trans	-74.8	-32.3	-176.9	-70.4	176.3	-21.2	0	0	113.7	L185 Q186 Y187 Y195 L218	L185-Q189 WeakPolarHBondContact O-CG 3.5Å; L185-Q189 PolarHBondContact O-N 3.27Å; L185-Q189 VanDerWaalsContact O-N 3.09Å; Q186-Q189 PolarHBondContact O-N 3.18Å; Q186-Q189 VanDerWaalsContact O-N 3.1Å; Y187-Q189 VanDerWaalsContact C-N 3.27Å; Y187-Q189 PolarHBondContact O-N 2.75Å; Q189-Y195 HydrophobicContact CB-CE1 4.31Å; Q189-Y195 HydrophobicContact CG-CE1 4.34Å; Q189-Y195 HydrophobicContact CG-CE2 4.18Å; Q189-L218 HydrophobicContact CG-CD2 3.89Å
190	E	96.5	Very high	96.5	Very high	104 Å²	104	45.9 Å²	45.9	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-94.4	-40	-173.6	-68.7	178.4	173.1	0	0	112.7	Q186 Y187	Q186-E190 VanDerWaalsContact CG-CD 3.44Å; Q186-E190 HydrophobicContact CG-CG 4.2Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.19Å; Q186-E190 PolarHBondContact NE2-OE1 2.95Å; Q186-E190 PolarHBondContact NE2-OE2 3.1Å; Q186-E190 WeakPolarHBondContact O-CB 3.49Å; Q186-E190 WeakPolarHBondContact O-CG 3.49Å; Q186-E190 PolarHBondContact O-N 3.4Å; Y187-E190 PolarHBondContact O-N 3.27Å
191	E	97.1	Very high	96.6	Very high	104 Å²	104	45.9 Å²	45.9	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-106.8	-25.2	-168.4	-60.7	-63.5	145.1	0	0	113.5	Y187 P193	Y187-E191 HydrophobicContact CD1-CB 4.2Å; Y187-E191 HydrophobicContact CD2-CB 4.35Å; Y187-E191 HydrophobicContact CD2-CG 3.95Å; Y187-E191 HydrophobicContact CE1-CB 3.91Å; Y187-E191 HydrophobicContact CE2-CB 4.09Å; Y187-E191 HydrophobicContact CE2-CG 3.82Å; Y187-E191 HydrophobicContact CG-CB 4.41Å; Y187-E191 HydrophobicContact CG-CG 4.39Å; Y187-E191 WeakPolarHBondContact O-CB 3.5Å; Y187-E191 PolarHBondContact O-N 3.35Å; E191-P193 VanDerWaalsContact O-CD 3.28Å; E191-P193 WeakPolarHBondContact O-CD 3.23Å
192	I	96.9	Very high	96.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	22%	0.222	C	C	.	.	S	Bend	trans	-86.8	113.4	177.5	-59.7	-175	0	0	0	110.3	I188 I278 I280 F308 M310	I188-I192 HydrophobicContact CB-CD1 4.41Å; I188-I192 HydrophobicContact CG1-CD1 4.1Å; I188-I192 HydrophobicContact CG2-CD1 4.35Å; I188-I192 WeakPolarHBondContact O-CB 3.35Å; I188-I192 PolarHBondContact O-N 3.46Å; I192-I278 HydrophobicContact CG2-CD1 4.24Å; I192-I280 HydrophobicContact CD1-CD1 3.95Å; I192-I280 HydrophobicContact CD1-CG1 4.46Å; I192-F308 HydrophobicContact CD1-CB 4.31Å; I192-F308 HydrophobicContact CD1-CD1 3.58Å; I192-F308 HydrophobicContact CD1-CD2 4.17Å; I192-F308 HydrophobicContact CD1-CE1 3.89Å; I192-F308 HydrophobicContact CD1-CE2 4.41Å; I192-F308 HydrophobicContact CD1-CG 3.76Å; I192-F308 HydrophobicContact CD1-CZ 4.29Å; I192-F308 HydrophobicContact CG1-CD1 4.04Å; I192-F308 HydrophobicContact CG1-CE1 3.83Å; I192-F308 HydrophobicContact CG1-CZ 4.17Å; I192-F308 HydrophobicContact CG2-CE2 4.06Å; I192-F308 HydrophobicContact CG2-CZ 4.04Å; I192-M310 HydrophobicContact CD1-CE 3.52Å
193	P	94.3	Very high	96.7	Very high	72 Å²	72	45.5 Å²	45.5	47%	0.468	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	140.8	175.4	29.2	-34.3	0	0	0	110	E191 Y195 I278	E191-P193 VanDerWaalsContact O-CD 3.28Å; E191-P193 WeakPolarHBondContact O-CD 3.23Å; P193-Y195 PolarHBondContact O-N 3.45Å; P193-I278 WeakPolarHBondContact O-CD1 3.39Å
194	D	95.1	Very high	96.5	Very high	121 Å²	121	45.1 Å²	45.1	65%	0.647	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	32.8	178.7	-59.1	-35.1	0	0	0	114.4	R196 N197 I278	D194-R196 PolarHBondContact O-N 3.4Å; D194-N197 PolarHBondContact O-N 3.35Å; D194-I278 HydrophobicContact CB-CD1 4.49Å
195	Y	97.1	Very high	96.2	Very high	37 Å²	37	49 Å²	49	15%	0.145	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-54.7	-21.2	177.6	79.2	-94.2	0	0	0	113.5	I188 Q189 P193 N197 A198 L218	I188-Y195 HydrophobicContact CG2-CD2 4.29Å; I188-Y195 HydrophobicContact CG2-CG 4.22Å; Q189-Y195 HydrophobicContact CB-CE1 4.31Å; Q189-Y195 HydrophobicContact CG-CE1 4.34Å; Q189-Y195 HydrophobicContact CG-CE2 4.18Å; P193-Y195 PolarHBondContact O-N 3.45Å; Y195-N197 PolarHBondContact O-N 3.37Å; Y195-A198 WeakPolarHBondContact O-CB 3.37Å; Y195-A198 PolarHBondContact O-N 2.98Å; Y195-L218 HydrophobicContact CE2-CD2 4.43Å
196	R	97.3	Very high	95.8	Very high	149 Å²	149	53.8 Å²	53.8	56%	0.562	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24	174.5	-67.9	-68.3	-177.8	171.7	-3.5	113.5	D194 A198 L218 L220	D194-R196 PolarHBondContact O-N 3.4Å; R196-A198 VanDerWaalsContact C-N 3.28Å; R196-L218 PolarHBondContact NH1-O 3.25Å; R196-L220 WeakPolarHBondContact O-CD2 3.2Å
197	N	97.3	Very high	95.6	Very high	70 Å²	70	50.6 Å²	50.6	37%	0.374	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-92.3	16	171	-170	35.6	0	0	0	111.9	D194 Y195 G276 R277 I278	D194-N197 PolarHBondContact O-N 3.35Å; Y195-N197 PolarHBondContact O-N 3.37Å; N197-G276 PolarHBondContact ND2-O 3.38Å; N197-R277 WeakPolarHBondContact O-CA 3.29Å; N197-R277 VanDerWaalsContact O-CB 3.26Å; N197-R277 WeakPolarHBondContact O-CB 3.45Å; N197-I278 PolarHBondContact O-N 2.74Å
198	A	98.3	Very high	95.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	161.6	176.8	0	0	0	0	0	112.6	Y195 R196 L220 I278 I280	Y195-A198 WeakPolarHBondContact O-CB 3.37Å; Y195-A198 PolarHBondContact O-N 2.98Å; R196-A198 VanDerWaalsContact C-N 3.28Å; A198-L220 HydrophobicContact CB-CD1 4.1Å; A198-I278 CarbonylContact C-O 3.59Å; A198-I278 WeakPolarHBondContact CA-O 3.43Å; A198-I278 HydrophobicContact CB-CB 3.83Å; A198-I278 HydrophobicContact CB-CG2 4.22Å; A198-I278 WeakPolarHBondContact CB-O 3.42Å; A198-I280 HydrophobicContact CB-CD1 3.71Å; A198-I280 HydrophobicContact CB-CG1 4.09Å
199	V	98.3	Very high	95.2	Very high	2 Å²	2	56 Å²	56	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.3	168.5	58.9	0	0	0	0	107.8	V201 A223 V274 R277 I278 A279 I280	V199-V201 HydrophobicContact CG1-CG2 4.31Å; V199-A223 HydrophobicContact CG2-CB 4.03Å; V199-V274 HydrophobicContact CG1-CB 4.19Å; V199-V274 HydrophobicContact CG1-CG1 3.95Å; V199-R277 HydrophobicContact CG1-CB 4.23Å; V199-I278 PolarHBondContact N-O 3.17Å; V199-A279 HydrophobicContact CG1-CB 4.46Å; V199-I280 PolarHBondContact O-N 3.36Å
200	I	98.5	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.5	175.2	-54.8	-53.5	0	0	0	108.2	A211 A215 L218 L220 G221 L222 A223 I280 V282	I200-A211 HydrophobicContact CG2-CB 3.92Å; I200-A211 WeakPolarHBondContact CG2-O 2.85Å; I200-A215 HydrophobicContact CB-CB 4.1Å; I200-A215 HydrophobicContact CG1-CB 4.03Å; I200-L218 HydrophobicContact CD1-CD1 3.94Å; I200-L220 HydrophobicContact CD1-CD1 4Å; I200-L220 HydrophobicContact CG1-CB 4.35Å; I200-L220 HydrophobicContact CG1-CD1 4.27Å; I200-G221 PolarHBondContact N-O 2.8Å; I200-L222 CarbonylContact O-C 3.5Å; I200-L222 WeakPolarHBondContact O-CA 3.42Å; I200-A223 PolarHBondContact O-N 3.08Å; I200-I280 CarbonylContact C-O 3.54Å; I200-I280 WeakPolarHBondContact CA-O 3.45Å; I200-I280 HydrophobicContact CD1-CB 3.94Å; I200-I280 HydrophobicContact CD1-CD1 4.17Å; I200-I280 HydrophobicContact CD1-CG2 4.33Å; I200-V282 HydrophobicContact CG2-CB 4.37Å; I200-V282 HydrophobicContact CG2-CG2 3.72Å
201	V	98.3	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.8	-175.4	-172.6	0	0	0	0	110.2	V199 A223 I225 A279 I280 I281 V282 L299	V199-V201 HydrophobicContact CG1-CG2 4.31Å; V201-A223 CarbonylContact C-O 3.6Å; V201-A223 VanDerWaalsContact CA-O 3.3Å; V201-A223 WeakPolarHBondContact CA-O 3.41Å; V201-A223 HydrophobicContact CG2-CB 4.32Å; V201-I225 HydrophobicContact CG1-CD1 3.86Å; V201-I225 HydrophobicContact CG1-CG1 3.91Å; V201-A279 HydrophobicContact CG2-CB 3.95Å; V201-I280 PolarHBondContact N-O 2.88Å; V201-I281 HydrophobicContact CB-CG1 4.11Å; V201-I281 HydrophobicContact CG1-CG1 4.37Å; V201-I281 VanDerWaalsContact O-CA 3.31Å; V201-I281 WeakPolarHBondContact O-CA 3.43Å; V201-V282 PolarHBondContact O-N 3.32Å; V201-L299 HydrophobicContact CG1-CD1 4.2Å; V201-L299 HydrophobicContact CG1-CD2 4.16Å; V201-L299 HydrophobicContact CG2-CD1 4.3Å; V201-L299 HydrophobicContact CG2-CD2 4.02Å
202	A	97.2	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.8	165.7	0	0	0	0	0	109.8	S204 A207 A208 A211 A223 V224 I225	A202-S204 PolarHBondContact O-N 3.05Å; A202-A207 HydrophobicContact CB-CB 4.31Å; A202-A208 HydrophobicContact CB-CB 4.32Å; A202-A211 HydrophobicContact CB-CB 3.65Å; A202-A223 PolarHBondContact N-O 2.86Å; A202-V224 HydrophobicContact CB-CB 4.43Å; A202-V224 HydrophobicContact CB-CG1 4.16Å; A202-V224 HydrophobicContact CB-CG2 4.16Å; A202-I225 PolarHBondContact O-N 2.93Å
203	K	93.4	Very high	94.9	Very high	40 Å²	40	46.9 Å²	46.9	17%	0.174	24%	0.239	C	C	.	.	S	Bend	trans	-64.9	-27.7	177.5	-174.3	177.7	70.9	78.6	0	113.1	I281 D283 S291 F292 A295	K203-I281 HydrophobicContact CB-CG2 4.12Å; K203-D283 WeakPolarHBondContact CE-OD2 3.46Å; K203-S291 PolarHBondContact NZ-OG 2.98Å; K203-F292 HydrophobicContact CD-CD1 3.67Å; K203-F292 HydrophobicContact CD-CD2 3.74Å; K203-F292 HydrophobicContact CD-CE1 3.66Å; K203-F292 HydrophobicContact CD-CE2 3.75Å; K203-F292 HydrophobicContact CD-CG 3.71Å; K203-F292 HydrophobicContact CD-CZ 3.71Å; K203-F292 VanDerWaalsContact CE-CZ 3.49Å; K203-A295 HydrophobicContact CG-CB 4.41Å
204	S	91	Very high	95	Very high	31 Å²	31	43.6 Å²	43.6	22%	0.217	22%	0.217	C	C	.	.	S	Bend	trans	-149	165.7	178.8	69.9	0	0	0	0	110.3	A202 D206 A207 A208 I225	A202-S204 PolarHBondContact O-N 3.05Å; S204-D206 PolarHBondContact O-N 3.48Å; S204-D206 PolarHBondContact OG-N 3.45Å; S204-A207 PolarHBondContact O-N 3.33Å; S204-A207 VanDerWaalsContact O-N 3.08Å; S204-A207 PolarHBondContact OG-N 2.87Å; S204-A208 PolarHBondContact O-N 3.13Å; S204-I225 WeakPolarHBondContact CA-O 3.35Å
205	P	90.9	Very high	95.1	Very high	81 Å²	81	38.1 Å²	38.1	53%	0.526	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-57.3	-30.9	172.9	-26.5	36.3	0	0	0	113.5	A207 A208 H226	P205-A207 VanDerWaalsContact C-N 3.31Å; P205-A207 PolarHBondContact O-N 3.27Å; P205-A208 WeakPolarHBondContact O-CB 3.08Å; P205-A208 PolarHBondContact O-N 3.15Å; P205-H226 HydrophobicContact CG-CB 4.26Å
206	D	87.6	Confident	95.1	Very high	117 Å²	117	41.6 Å²	41.6	63%	0.626	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-66.5	-32.9	177.8	-74	-18.8	0	0	0	112.1	S204 A208	S204-D206 PolarHBondContact O-N 3.48Å; S204-D206 PolarHBondContact OG-N 3.45Å; D206-A208 VanDerWaalsContact C-N 3.32Å
207	A	90.8	Very high	94.9	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-82.9	-5.1	176.6	0	0	0	0	0	113.5	A202 S204 P205 K209 R210 A211	A202-A207 HydrophobicContact CB-CB 4.31Å; S204-A207 PolarHBondContact O-N 3.33Å; S204-A207 VanDerWaalsContact O-N 3.08Å; S204-A207 PolarHBondContact OG-N 2.87Å; P205-A207 VanDerWaalsContact C-N 3.31Å; P205-A207 PolarHBondContact O-N 3.27Å; A207-K209 PolarHBondContact O-N 3.48Å; A207-R210 PolarHBondContact O-N 3.06Å; A207-A211 PolarHBondContact O-N 2.9Å
208	A	93.4	Very high	94.9	Very high	22 Å²	22	34 Å²	34	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-39.6	-172.2	0	0	0	0	0	113.6	A202 S204 P205 D206 R210 A211 Q212 V224	A202-A208 HydrophobicContact CB-CB 4.32Å; S204-A208 PolarHBondContact O-N 3.13Å; P205-A208 WeakPolarHBondContact O-CB 3.08Å; P205-A208 PolarHBondContact O-N 3.15Å; D206-A208 VanDerWaalsContact C-N 3.32Å; A208-R210 VanDerWaalsContact C-N 3.34Å; A208-R210 PolarHBondContact O-N 3.03Å; A208-A211 PolarHBondContact O-N 3.1Å; A208-Q212 VanDerWaalsContact O-CB 3.29Å; A208-Q212 WeakPolarHBondContact O-CB 3.31Å; A208-Q212 PolarHBondContact O-N 3.34Å; A208-V224 HydrophobicContact CB-CG2 4.29Å
209	K	92.8	Very high	94.8	Very high	130 Å²	130	44.3 Å²	44.3	57%	0.565	21%	0.211	S	C	*	.	H	α-helix	trans	-61.2	-42.6	178.5	-69.3	-177.7	-180	-179.6	0	112.1	A207 Q212 S213 D382	A207-K209 PolarHBondContact O-N 3.48Å; K209-Q212 WeakPolarHBondContact O-CB 3.33Å; K209-Q212 PolarHBondContact O-N 3.26Å; K209-S213 PolarHBondContact O-N 2.84Å; K209-D382 HydrophobicContact CB-CB 4.48Å
210	R	93.9	Very high	94.8	Very high	25 Å²	25	45.4 Å²	45.4	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-48.7	178.1	-170.8	-177.3	-55.6	118.8	-2.2	111.3	A207 A208 Q212 S213 Y214 V282 D283 D284	A207-R210 PolarHBondContact O-N 3.06Å; A208-R210 VanDerWaalsContact C-N 3.34Å; A208-R210 PolarHBondContact O-N 3.03Å; R210-Q212 VanDerWaalsContact C-N 3.29Å; R210-Q212 PolarHBondContact O-N 3.32Å; R210-S213 WeakPolarHBondContact O-CB 3.46Å; R210-S213 PolarHBondContact O-N 2.98Å; R210-S213 VanDerWaalsContact O-N 3.16Å; R210-Y214 HydrophobicContact CG-CE2 4.27Å; R210-Y214 WeakPolarHBondContact O-CD2 3.32Å; R210-Y214 PolarHBondContact O-N 3.46Å; R210-V282 HydrophobicContact CG-CG1 4Å; R210-D283 IonicContact CZ-OD1 2.75Å; R210-D283 IonicContact NH1-OD1 2.77Å; R210-D283 PolarHBondContact NH1-OD1 3.13Å; R210-D284 VanDerWaalsContact CZ-CB 3.43Å; R210-D284 IonicContact CZ-OD1 3.89Å; R210-D284 IonicContact NH1-OD1 3.74Å; R210-D284 PolarHBondContact NH1-OD1 3.18Å; R210-D284 VanDerWaalsContact NH2-CB 3.31Å; R210-D284 IonicContact NH2-OD1 2.88Å; R210-D284 PolarHBondContact NH2-OD1 3.03Å; R210-D284 IonicContact NH2-OD2 2.87Å
211	A	96.1	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-41.1	176.3	0	0	0	0	0	111.8	I200 A202 A207 A208 S213 Y214 A215 L222	I200-A211 HydrophobicContact CG2-CB 3.92Å; I200-A211 WeakPolarHBondContact CG2-O 2.85Å; A202-A211 HydrophobicContact CB-CB 3.65Å; A207-A211 PolarHBondContact O-N 2.9Å; A208-A211 PolarHBondContact O-N 3.1Å; A211-S213 VanDerWaalsContact C-N 3.35Å; A211-S213 PolarHBondContact O-N 3.49Å; A211-Y214 PolarHBondContact O-N 3Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 2.6Å; A211-L222 HydrophobicContact CB-CD1 3.53Å
212	Q	96.3	Very high	94.7	Very high	83 Å²	83	49.8 Å²	49.8	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-45.5	174.7	-179	-179.8	-4.1	0	0	111.5	A208 K209 R210 Y214 A215 E216 L222	A208-Q212 VanDerWaalsContact O-CB 3.29Å; A208-Q212 WeakPolarHBondContact O-CB 3.31Å; A208-Q212 PolarHBondContact O-N 3.34Å; K209-Q212 WeakPolarHBondContact O-CB 3.33Å; K209-Q212 PolarHBondContact O-N 3.26Å; R210-Q212 VanDerWaalsContact C-N 3.29Å; R210-Q212 PolarHBondContact O-N 3.32Å; Q212-Y214 VanDerWaalsContact C-N 3.28Å; Q212-Y214 PolarHBondContact O-N 2.88Å; Q212-A215 WeakPolarHBondContact O-CB 3.44Å; Q212-A215 PolarHBondContact O-N 2.59Å; Q212-A215 VanDerWaalsContact O-N 3.13Å; Q212-E216 HydrophobicContact CG-CG 4.33Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E216 PolarHBondContact NE2-OE1 2.6Å; Q212-E216 WeakPolarHBondContact O-CG 3.38Å; Q212-E216 PolarHBondContact O-N 3.49Å; Q212-L222 HydrophobicContact CB-CD2 3.97Å; Q212-L222 HydrophobicContact CG-CD2 4.46Å
213	S	95.1	Very high	94.7	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-37.4	178	178.3	0	0	0	0	113.2	K209 R210 A211 R217 T380 D383	K209-S213 PolarHBondContact O-N 2.84Å; R210-S213 WeakPolarHBondContact O-CB 3.46Å; R210-S213 PolarHBondContact O-N 2.98Å; R210-S213 VanDerWaalsContact O-N 3.16Å; A211-S213 VanDerWaalsContact C-N 3.35Å; A211-S213 PolarHBondContact O-N 3.49Å; S213-R217 PolarHBondContact O-N 3.09Å; S213-R217 PolarHBondContact O-NE 3.36Å; S213-R217 VanDerWaalsContact OG-CZ 3.25Å; S213-R217 PolarHBondContact OG-NE 3.19Å; S213-R217 PolarHBondContact OG-NH2 3.14Å; S213-T380 WeakPolarHBondContact CB-OG1 3.42Å; S213-T380 PolarHBondContact OG-OG1 3.25Å; S213-D383 PolarHBondContact OG-OD1 3.33Å
214	Y	96.8	Very high	94.8	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-69.7	-44.1	174	-83.1	-119.9	0	0	0	111.4	S181 L184 L185 I188 R210 A211 Q212 E216 R217 L218 V282	S181-Y214 WeakPolarHBondContact CA-OH 3.24Å; L184-Y214 HydrophobicContact CB-CE1 4.09Å; L184-Y214 WeakPolarHBondContact CD1-OH 3.39Å; L185-Y214 HydrophobicContact CD2-CD1 3.85Å; L185-Y214 HydrophobicContact CD2-CE1 4.39Å; L185-Y214 HydrophobicContact CD2-CG 4.28Å; L185-Y214 HydrophobicContact CG-CD1 4.24Å; L185-Y214 HydrophobicContact CG-CE1 4.29Å; I188-Y214 HydrophobicContact CD1-CD1 4.13Å; I188-Y214 HydrophobicContact CD1-CE1 4.4Å; R210-Y214 HydrophobicContact CG-CE2 4.27Å; R210-Y214 WeakPolarHBondContact O-CD2 3.32Å; R210-Y214 PolarHBondContact O-N 3.46Å; A211-Y214 PolarHBondContact O-N 3Å; Q212-Y214 VanDerWaalsContact C-N 3.28Å; Q212-Y214 PolarHBondContact O-N 2.88Å; Y214-E216 PolarHBondContact O-N 2.74Å; Y214-R217 PolarHBondContact O-N 3.34Å; Y214-L218 WeakPolarHBondContact O-CB 3.45Å; Y214-L218 WeakPolarHBondContact O-CG 3.22Å; Y214-L218 PolarHBondContact O-N 2.85Å; Y214-V282 HydrophobicContact CD1-CG1 4.15Å; Y214-V282 HydrophobicContact CD1-CG2 3.9Å; Y214-V282 HydrophobicContact CD2-CG1 3.9Å; Y214-V282 HydrophobicContact CE1-CG1 4.06Å; Y214-V282 HydrophobicContact CE1-CG2 4.33Å; Y214-V282 HydrophobicContact CE2-CG1 3.79Å; Y214-V282 HydrophobicContact CG-CG1 4.06Å; Y214-V282 HydrophobicContact CG-CG2 4.14Å
215	A	97.1	Very high	95	Very high	6 Å²	6	48 Å²	48	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-43.9	178.9	0	0	0	0	0	111.9	I200 A211 Q212 L218 R219 L220 L222	I200-A215 HydrophobicContact CB-CB 4.1Å; I200-A215 HydrophobicContact CG1-CB 4.03Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 2.6Å; Q212-A215 WeakPolarHBondContact O-CB 3.44Å; Q212-A215 PolarHBondContact O-N 2.59Å; Q212-A215 VanDerWaalsContact O-N 3.13Å; A215-L218 PolarHBondContact O-N 2.92Å; A215-R219 CarbonylContact O-C 3.53Å; A215-R219 VanDerWaalsContact O-CA 3.29Å; A215-R219 WeakPolarHBondContact O-CA 3.47Å; A215-R219 PolarHBondContact O-N 3.02Å; A215-L220 PolarHBondContact O-N 3.19Å; A215-L222 HydrophobicContact CB-CB 4.26Å
216	E	95.9	Very high	94.8	Very high	109 Å²	109	47.7 Å²	47.7	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-44.9	178.2	-74.7	179.1	-173.1	0	0	112.1	Q212 Y214 R219	Q212-E216 HydrophobicContact CG-CG 4.33Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.47Å; Q212-E216 PolarHBondContact NE2-OE1 2.6Å; Q212-E216 WeakPolarHBondContact O-CG 3.38Å; Q212-E216 PolarHBondContact O-N 3.49Å; Y214-E216 PolarHBondContact O-N 2.74Å; E216-R219 PolarHBondContact O-N 2.69Å
217	R	94.4	Very high	94.2	Very high	57 Å²	57	43.6 Å²	43.6	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-32	-178.9	-75.6	179.2	-75.3	171.3	6.9	113.3	S181 L185 S213 Y214 D383	S181-R217 PolarHBondContact OG-NH1 3.26Å; S181-R217 VanDerWaalsContact OG-NH1 3.09Å; L185-R217 HydrophobicContact CD1-CB 4.11Å; L185-R217 HydrophobicContact CD2-CB 4.43Å; S213-R217 PolarHBondContact O-N 3.09Å; S213-R217 PolarHBondContact O-NE 3.36Å; S213-R217 VanDerWaalsContact OG-CZ 3.25Å; S213-R217 PolarHBondContact OG-NE 3.19Å; S213-R217 PolarHBondContact OG-NH2 3.14Å; Y214-R217 PolarHBondContact O-N 3.34Å; R217-D383 IonicContact CZ-OD1 2.82Å; R217-D383 IonicContact CZ-OD2 3.5Å; R217-D383 IonicContact NH1-OD1 3.77Å; R217-D383 IonicContact NH1-OD2 3.42Å; R217-D383 PolarHBondContact NH1-OD2 3.09Å; R217-D383 IonicContact NH2-OD1 3.58Å; R217-D383 PolarHBondContact NH2-OD1 3.39Å; R217-D383 IonicContact NH2-OD2 2.84Å; R217-D383 PolarHBondContact NH2-OD2 3.04Å
218	L	96	Very high	93	Very high	3 Å²	3	48 Å²	48	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-86.4	-13	174.8	-63.8	171.5	0	0	0	113.3	L185 I188 Q189 Y195 R196 I200 Y214 A215 L220	L185-L218 HydrophobicContact CD2-CD1 3.72Å; L185-L218 HydrophobicContact CD2-CD2 3.69Å; L185-L218 HydrophobicContact CD2-CG 3.47Å; L185-L218 VanDerWaalsContact CD2-CG 3.47Å; I188-L218 HydrophobicContact CD1-CD1 3.96Å; I188-L218 HydrophobicContact CG2-CD1 3.9Å; I188-L218 HydrophobicContact CG2-CD2 4.45Å; Q189-L218 HydrophobicContact CG-CD2 3.89Å; Y195-L218 HydrophobicContact CE2-CD2 4.43Å; R196-L218 PolarHBondContact NH1-O 3.25Å; I200-L218 HydrophobicContact CD1-CD1 3.94Å; Y214-L218 WeakPolarHBondContact O-CB 3.45Å; Y214-L218 WeakPolarHBondContact O-CG 3.22Å; Y214-L218 PolarHBondContact O-N 2.85Å; A215-L218 PolarHBondContact O-N 2.92Å; L218-L220 HydrophobicContact CB-CB 4.45Å; L218-L220 HydrophobicContact CB-CD1 3.67Å; L218-L220 HydrophobicContact CB-CG 3.69Å; L218-L220 HydrophobicContact CD1-CD1 3.91Å; L218-L220 HydrophobicContact CG-CD1 4.42Å
219	R	96.9	Very high	91	Very high	217 Å²	217	48.6 Å²	48.6	82%	0.819	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	49	-170.9	-52.7	179.2	-176	168.1	-0.3	111.8	A215 E216	A215-R219 CarbonylContact O-C 3.53Å; A215-R219 VanDerWaalsContact O-CA 3.29Å; A215-R219 WeakPolarHBondContact O-CA 3.47Å; A215-R219 PolarHBondContact O-N 3.02Å; E216-R219 PolarHBondContact O-N 2.69Å
220	L	97.6	Very high	88.7	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.131	26%	0.26	C	S	.	.			trans	-113.5	168	-179.8	-62	178.1	0	0	0	111.2	R196 A198 I200 A215 L218	R196-L220 WeakPolarHBondContact O-CD2 3.2Å; A198-L220 HydrophobicContact CB-CD1 4.1Å; I200-L220 HydrophobicContact CD1-CD1 4Å; I200-L220 HydrophobicContact CG1-CB 4.35Å; I200-L220 HydrophobicContact CG1-CD1 4.27Å; A215-L220 PolarHBondContact O-N 3.19Å; L218-L220 HydrophobicContact CB-CB 4.45Å; L218-L220 HydrophobicContact CB-CD1 3.67Å; L218-L220 HydrophobicContact CB-CG 3.69Å; L218-L220 HydrophobicContact CD1-CD1 3.91Å; L218-L220 HydrophobicContact CG-CD1 4.42Å
221	G	96.9	Very high	85.9	Confident	31 Å²	31	54.1 Å²	54.1	32%	0.32	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	160.4	170	0	0	0	0	0	112	I200	I200-G221 PolarHBondContact N-O 2.8Å
222	L	97.7	Very high	82.8	Confident	62 Å²	62	60 Å²	60	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.3	173.8	177.7	67	0	0	0	109.3	I200 A211 Q212 A215 V224	I200-L222 CarbonylContact O-C 3.5Å; I200-L222 WeakPolarHBondContact O-CA 3.42Å; A211-L222 HydrophobicContact CB-CD1 3.53Å; Q212-L222 HydrophobicContact CB-CD2 3.97Å; Q212-L222 HydrophobicContact CG-CD2 4.46Å; A215-L222 HydrophobicContact CB-CB 4.26Å; L222-V224 HydrophobicContact CD2-CG2 4.47Å; L222-V224 HydrophobicContact CG-CG2 4.33Å
223	A	97.4	Very high	80	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.4	165.3	0	0	0	0	0	109.9	V199 I200 V201 A202 V270 V271 V274	V199-A223 HydrophobicContact CG2-CB 4.03Å; I200-A223 PolarHBondContact O-N 3.08Å; V201-A223 CarbonylContact C-O 3.6Å; V201-A223 VanDerWaalsContact CA-O 3.3Å; V201-A223 WeakPolarHBondContact CA-O 3.41Å; V201-A223 HydrophobicContact CG2-CB 4.32Å; A202-A223 PolarHBondContact N-O 2.86Å; A223-V270 HydrophobicContact CB-CG1 4.22Å; A223-V271 CarbonylContact C-O 3.59Å; A223-V271 WeakPolarHBondContact CA-O 3.38Å; A223-V274 HydrophobicContact CB-CG1 3.73Å
224	V	96.8	Very high	77.2	Confident	30 Å²	30	69.7 Å²	69.7	18%	0.182	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.6	-179.5	-176.4	0	0	0	0	108.8	A202 A208 L222 V271	A202-V224 HydrophobicContact CB-CB 4.43Å; A202-V224 HydrophobicContact CB-CG1 4.16Å; A202-V224 HydrophobicContact CB-CG2 4.16Å; A208-V224 HydrophobicContact CB-CG2 4.29Å; L222-V224 HydrophobicContact CD2-CG2 4.47Å; L222-V224 HydrophobicContact CG-CG2 4.33Å; V224-V271 PolarHBondContact N-O 3.13Å; V224-V271 PolarHBondContact O-N 2.98Å
225	I	93.4	Very high	74.6	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.015	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134	172.5	-60.2	176.7	0	0	0	108.2	V201 A202 S204 I268 T269 V270 A295 I298 L299	V201-I225 HydrophobicContact CG1-CD1 3.86Å; V201-I225 HydrophobicContact CG1-CG1 3.91Å; A202-I225 PolarHBondContact O-N 2.93Å; S204-I225 WeakPolarHBondContact CA-O 3.35Å; I225-I268 HydrophobicContact CG2-CD1 3.85Å; I225-I268 HydrophobicContact CG2-CG1 3.58Å; I225-T269 WeakPolarHBondContact CA-O 3.41Å; I225-V270 HydrophobicContact CG1-CG2 4.22Å; I225-A295 HydrophobicContact CD1-CB 3.41Å; I225-A295 VanDerWaalsContact CD1-CB 3.41Å; I225-I298 HydrophobicContact CD1-CG2 4.25Å; I225-L299 HydrophobicContact CD1-CD1 4.31Å; I225-L299 HydrophobicContact CD1-CG 4.29Å
226	H	87	Confident	71.7	Confident	73 Å²	73	79.8 Å²	79.8	34%	0.338	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.3	172.6	82	73.4	0	0	0	111.2	P205 I268 T269	P205-H226 HydrophobicContact CG-CB 4.26Å; H226-I268 CarbonylContact O-C 3.48Å; H226-I268 WeakPolarHBondContact O-CA 3.45Å; H226-T269 PolarHBondContact CE1-OG1 3.26Å; H226-T269 PolarHBondContact N-O 3.45Å; H226-T269 PolarHBondContact ND1-OG1 3.34Å; H226-T269 PolarHBondContact NE2-OG1 3.34Å; H226-T269 PolarHBondContact O-N 3.22Å
227	G	76.1	Confident	69.3	Low	32 Å²	32	80 Å²	80	33%	0.33	41%	0.412	S	S	.	.	S	Bend	trans	97.2	168.6	-172.2	0	0	0	0	0	111.1	P266	G227-P266 WeakPolarHBondContact CA-O 3.32Å
228	E	64.4	Low	67.1	Low	94 Å²	94	81.2 Å²	81.2	44%	0.439	42%	0.423	S	S	.	.			trans	-111.3	136.2	175.7	-69.4	179.1	-158.9	0	0	107.5	K265 P266	E228-K265 VanDerWaalsContact CD-CD 3.46Å; E228-K265 HydrophobicContact CG-CD 4.46Å; E228-K265 IonicContact OE1-NZ 3.34Å; E228-K265 PolarHBondContact OE1-NZ 3.48Å; E228-K265 WeakPolarHBondContact OE2-CD 3.35Å; E228-K265 WeakPolarHBondContact OE2-CE 3.41Å; E228-K265 IonicContact OE2-NZ 2.72Å; E228-K265 PolarHBondContact OE2-NZ 3.24Å; E228-P266 PolarHBondContact N-O 2.6Å
229	A	53.2	Low	65	Low	35 Å²	35	83.9 Å²	83.9	29%	0.289	45%	0.452	S	S	.	.			trans	-58.4	150	160.7	0	0	0	0	0	107.3	C231 A294	A229-C231 PolarHBondContact O-N 3.41Å; A229-A294 HydrophobicContact CB-CB 4.18Å
230	Q	43.2	Very low	62.8	Low	207 Å²	207	82 Å²	82	97%	0.967	44%	0.444	S	S	*	.	S	Bend	trans	-68.1	52.3	168.6	-69.9	-179.9	-13.7	0	0	110.3
231	C	34.5	Very low	60.6	Low	63 Å²	63	86.8 Å²	86.8	43%	0.426	47%	0.466	S	S	.	.			trans	-83	125.8	161.9	-71.8	0	0	0	0	105.6	A229 E233 E290	A229-C231 PolarHBondContact O-N 3.41Å; C231-E233 PolarHBondContact O-N 2.71Å; C231-E290 PolarHBondContact SG-OE2 3.23Å
232	T	31.7	Very low	58.3	Low	125 Å²	125	89.4 Å²	89.4	77%	0.767	48%	0.48	S	S	*	.			trans	-60.6	74.7	164.8	39.1	0	0	0	0	108.9	Q234	T232-Q234 PolarHBondContact O-N 3.01Å
233	E	37	Very low	56	Low	148 Å²	148	91.7 Å²	91.7	69%	0.692	50%	0.498	S	S	*	.			trans	-59.1	93.7	131.3	-73.2	-152.4	169.9	0	0	103	C231 D235	C231-E233 PolarHBondContact O-N 2.71Å; E233-D235 PolarHBondContact O-N 3.23Å
234	Q	37.5	Very low	53.8	Low	139 Å²	139	97.2 Å²	97.2	65%	0.65	53%	0.534	S	S	*	.			trans	-54.7	92.9	150.6	-68	177.6	-5.2	0	0	102.9	T232 M236	T232-Q234 PolarHBondContact O-N 3.01Å; Q234-M236 HydrophobicContact CB-CG 3.91Å; Q234-M236 PolarHBondContact O-N 3.31Å
235	D	41	Very low	51.1	Low	88 Å²	88	103.9 Å²	103.9	47%	0.471	57%	0.565	S	S	.	*				-47.9	75	128.7	-84.7	-51.1	0	0	0	104.8	K136 E233 D237 K265	K136-D235 IonicContact NZ-OD1 3.9Å; K136-D235 PolarHBondContact NZ-OD1 3.24Å; E233-D235 PolarHBondContact O-N 3.23Å; D235-D237 PolarHBondContact O-N 3.29Å; D235-K265 IonicContact OD2-NZ 3.28Å
236	M	37.6	Very low	48.7	Very low	134 Å²	134	109.2 Å²	109.2	66%	0.66	60%	0.598	S	S	*	*			trans	-57.8	98.9	158.9	-90.2	-165.5	151.6	0	0	101	Q234 D238	Q234-M236 HydrophobicContact CB-CG 3.91Å; Q234-M236 PolarHBondContact O-N 3.31Å; M236-D238 PolarHBondContact O-N 3.1Å
237	D	45.6	Very low	46.7	Very low	112 Å²	112	115.1 Å²	115.1	60%	0.599	62%	0.622	S	S	*	*			trans	-55.1	93.4	159.5	-171.6	13.8	0	0	0	103.8	D235 G239 H241	D235-D237 PolarHBondContact O-N 3.29Å; D237-G239 PolarHBondContact O-N 3.08Å; D237-H241 IonicContact OD1-CE1 3.1Å; D237-H241 PolarHBondContact OD1-CE1 3.38Å; D237-H241 IonicContact OD1-CG 2.88Å; D237-H241 IonicContact OD1-ND1 3.11Å; D237-H241 PolarHBondContact OD1-ND1 3.11Å
238	D	47.2	Very low	45.1	Very low	84 Å²	84	121 Å²	121	45%	0.449	65%	0.646	S	S	.	*			trans	-70.2	10.4	-173.6	65.2	-7.8	0	0	0	111.3	M236 R240	M236-D238 PolarHBondContact O-N 3.1Å; D238-R240 HydrophobicContact CB-CG 4.34Å; D238-R240 WeakPolarHBondContact O-CG 3.48Å; D238-R240 PolarHBondContact O-N 2.9Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.49Å; D238-R240 PolarHBondContact OD1-N 2.98Å; D238-R240 VanDerWaalsContact OD2-CD 3.3Å; D238-R240 WeakPolarHBondContact OD2-CD 3.5Å; D238-R240 IonicContact OD2-NE 3.39Å
239	G	51.9	Low	43.9	Very low	59 Å²	59	119.6 Å²	119.6	61%	0.608	65%	0.65	S	S	*	*	S	Bend	trans	65.4	12.2	-176.3	0	0	0	0	0	112.7	D237	D237-G239 PolarHBondContact O-N 3.08Å
240	R	51.8	Low	43.4	Very low	176 Å²	176	124 Å²	124	66%	0.664	67%	0.674	S	S	*	*			trans	-99.1	7.7	-177.6	-53.4	-175.4	-175.5	167.3	-3.8	113.6	R137 D238 S242	R137-R240 PolarHBondContact NH2-O 2.77Å; D238-R240 HydrophobicContact CB-CG 4.34Å; D238-R240 WeakPolarHBondContact O-CG 3.48Å; D238-R240 PolarHBondContact O-N 2.9Å; D238-R240 VanDerWaalsContact OD1-CB 3.25Å; D238-R240 WeakPolarHBondContact OD1-CB 3.49Å; D238-R240 PolarHBondContact OD1-N 2.98Å; D238-R240 VanDerWaalsContact OD2-CD 3.3Å; D238-R240 WeakPolarHBondContact OD2-CD 3.5Å; D238-R240 IonicContact OD2-NE 3.39Å; R240-S242 PolarHBondContact O-N 2.83Å
241	H	49.7	Very low	43.3	Very low	126 Å²	126	120.5 Å²	120.5	58%	0.583	67%	0.666	S	S	*	*	S	Bend	trans	-55.4	127.3	149.3	-66.4	92.3	0	0	0	106.7	D237	D237-H241 IonicContact OD1-CE1 3.1Å; D237-H241 PolarHBondContact OD1-CE1 3.38Å; D237-H241 IonicContact OD1-CG 2.88Å; D237-H241 IonicContact OD1-ND1 3.11Å; D237-H241 PolarHBondContact OD1-ND1 3.11Å
242	S	50.3	Low	43.8	Very low	87 Å²	87	125.6 Å²	125.6	61%	0.608	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-47.4	132	170.4	-56.5	0	0	0	0	107	R240 P244	R240-S242 PolarHBondContact O-N 2.83Å; S242-P244 VanDerWaalsContact O-N 3.15Å
243	P	49.6	Very low	44.5	Very low	109 Å²	109	125.7 Å²	125.7	71%	0.708	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-49.4	131.7	178.5	17.4	-29	0	0	0	107.4	M245	P243-M245 PolarHBondContact O-N 2.88Å; P243-M245 VanDerWaalsContact O-N 3.14Å
244	P	49.2	Very low	45.2	Very low	118 Å²	118	122 Å²	122	77%	0.766	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-50.5	131.5	176.8	20.8	-30.8	0	0	0	106.8	S242 V246	S242-P244 VanDerWaalsContact O-N 3.15Å; P244-V246 PolarHBondContact O-N 3.04Å
245	M	41.1	Very low	45.9	Very low	170 Å²	170	122.9 Å²	122.9	84%	0.837	70%	0.696	S	S	*	*			trans	-43.1	114.2	-175.4	-158.1	179.3	75.6	0	0	108.4	P243 K247	P243-M245 PolarHBondContact O-N 2.88Å; P243-M245 VanDerWaalsContact O-N 3.14Å; M245-K247 PolarHBondContact O-N 3.46Å
246	V	43	Very low	46.2	Very low	115 Å²	115	128 Å²	128	70%	0.697	72%	0.717	S	S	*	*			trans	-52.9	120.5	-178.8	-179.3	0	0	0	0	106.3	P244 N248	P244-V246 PolarHBondContact O-N 3.04Å; V246-N248 PolarHBondContact O-N 3.46Å
247	K	45.5	Very low	46.9	Very low	196 Å²	196	128.7 Å²	128.7	85%	0.852	72%	0.723	S	S	*	*			trans	-67.4	74.5	-179.8	-74.3	-176.2	177.5	179.6	0	109.9	M245	M245-K247 PolarHBondContact O-N 3.46Å
248	N	41.1	Very low	47	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	73%	0.73	S	S	*	*			trans	-96.9	54.5	152.8	-72.7	1.5	0	0	0	107.6	V246	V246-N248 PolarHBondContact O-N 3.46Å
249	A	41.2	Very low	47.2	Very low	65 Å²	65	132.7 Å²	132.7	54%	0.537	75%	0.75	S	S	.	*			trans	-111.9	107.5	162.9	0	0	0	0	0	105.6	V251	A249-V251 PolarHBondContact O-N 2.95Å; A249-V251 VanDerWaalsContact O-N 3.09Å
250	T	41.4	Very low	46.7	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	77%	0.765	S	S	*	*			trans	-39.5	117.2	158.8	38.9	0	0	0	0	108.9	H252	T250-H252 PolarHBondContact O-N 3.13Å; T250-H252 VanDerWaalsContact O-N 3.09Å
251	V	40.3	Very low	46.3	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	77%	0.774	S	S	*	*			trans	-59.3	110.2	-179.1	176.4	0	0	0	0	108.5	A249	A249-V251 PolarHBondContact O-N 2.95Å; A249-V251 VanDerWaalsContact O-N 3.09Å
252	H	47	Very low	46.4	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.787	78%	0.783	S	S	*	*			trans	-72.4	121.6	155.9	-86.2	-80.4	0	0	0	107.3	T250 G254	T250-H252 PolarHBondContact O-N 3.13Å; T250-H252 VanDerWaalsContact O-N 3.09Å; H252-G254 PolarHBondContact O-N 2.9Å
253	P	45.9	Very low	46.3	Very low	128 Å²	128	142.5 Å²	142.5	83%	0.831	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	100.5	179.3	29	-30	0	0	0	108.1
254	G	51.2	Low	46.5	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	158.6	-8.2	170.5	0	0	0	0	0	119	H252	H252-G254 PolarHBondContact O-N 2.9Å
255	L	51.7	Low	46.8	Very low	157 Å²	157	145.2 Å²	145.2	82%	0.822	79%	0.787	S	S	*	*			trans	-125.4	90.7	174.9	-105.1	88.8	0	0	0	111.2	L257	L255-L257 PolarHBondContact O-N 3.27Å
256	E	48.4	Very low	47.6	Very low	195 Å²	195	140.5 Å²	140.5	91%	0.911	77%	0.769	S	S	*	*			trans	-77	102.8	159.7	-72.3	-170.7	163.1	0	0	108.2
257	L	51.8	Low	49.2	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	77%	0.765	S	S	*	*			trans	-68.3	128.7	166.4	-80.6	155.9	0	0	0	108.3	L255 L259	L255-L257 PolarHBondContact O-N 3.27Å; L257-L259 PolarHBondContact O-N 3.1Å
258	P	48.2	Very low	51	Low	113 Å²	113	132.3 Å²	132.3	73%	0.734	74%	0.735	S	S	*	*			trans	-56.2	127.6	176.5	-23	32	0	0	0	110.5	M260	P258-M260 PolarHBondContact O-N 3.04Å
259	L	50	Low	53.3	Low	167 Å²	167	126.8 Å²	126.8	87%	0.874	71%	0.707	S	S	*	*			trans	-57.8	109.3	166.5	-92.6	139.9	0	0	0	107.8	L257 M261	L257-L259 PolarHBondContact O-N 3.1Å; L259-M261 PolarHBondContact O-N 2.91Å
260	M	42.8	Very low	55.8	Low	186 Å²	186	124 Å²	124	92%	0.916	68%	0.683	S	S	*	*			trans	-63.4	103	170.6	-74.4	-173.5	74.6	0	0	107.7	P258 A262	P258-M260 PolarHBondContact O-N 3.04Å; M260-A262 PolarHBondContact O-N 3.39Å
261	M	42	Very low	58.3	Low	176 Å²	176	122 Å²	122	87%	0.867	67%	0.671	S	S	*	*			trans	-59.2	135	171.3	-60.3	-174.9	81.7	0	0	108.2	L259 K263	L259-M261 PolarHBondContact O-N 2.91Å; M261-K263 PolarHBondContact O-N 2.85Å
262	A	51.8	Low	60.8	Low	93 Å²	93	117.5 Å²	117.5	77%	0.769	65%	0.651	S	S	*	*			trans	-55	126.6	172.6	0	0	0	0	0	108.2	M260 E264	M260-A262 PolarHBondContact O-N 3.39Å; A262-E264 PolarHBondContact O-N 2.9Å
263	K	49.5	Very low	63	Low	198 Å²	198	113.9 Å²	113.9	86%	0.861	64%	0.638	S	S	*	*			trans	-65.7	105	179.3	-168.8	176.9	-177.3	179.7	0	107.7	M261 K265	M261-K263 PolarHBondContact O-N 2.85Å; K263-K265 PolarHBondContact O-N 3.12Å
264	E	52.5	Low	65.4	Low	181 Å²	181	108 Å²	108	85%	0.846	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-55.5	130.9	172.6	-75.9	-175.5	165.4	0	0	108.9	A262	A262-E264 PolarHBondContact O-N 2.9Å
265	K	56.5	Low	67.6	Low	103 Å²	103	106.2 Å²	106.2	45%	0.448	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-70	133.7	-178.1	-62.8	-172.3	-177	175	0	108.9	E228 D235 K263	E228-K265 VanDerWaalsContact CD-CD 3.46Å; E228-K265 HydrophobicContact CG-CD 4.46Å; E228-K265 IonicContact OE1-NZ 3.34Å; E228-K265 PolarHBondContact OE1-NZ 3.48Å; E228-K265 WeakPolarHBondContact OE2-CD 3.35Å; E228-K265 WeakPolarHBondContact OE2-CE 3.41Å; E228-K265 IonicContact OE2-NZ 2.72Å; E228-K265 PolarHBondContact OE2-NZ 3.24Å; D235-K265 IonicContact OD2-NZ 3.28Å; K263-K265 PolarHBondContact O-N 3.12Å
266	P	58.2	Low	69.8	Low	71 Å²	71	100.9 Å²	100.9	46%	0.461	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-67.9	146.4	-175.8	27	-33.2	0	0	0	111.3	G227 E228	G227-P266 WeakPolarHBondContact CA-O 3.32Å; E228-P266 PolarHBondContact N-O 2.6Å
267	P	76.1	Confident	72.1	Confident	97 Å²	97	95.4 Å²	95.4	63%	0.63	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-62	155.7	176.9	27.4	-34.7	0	0	0	111.4	T269	P267-T269 PolarHBondContact O-N 3.16Å
268	I	82.9	Confident	74.3	Confident	42 Å²	42	88.3 Å²	88.3	22%	0.215	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-59.6	127	176.1	-166.4	171.5	0	0	0	110.6	I225 H226 A294 I298	I225-I268 HydrophobicContact CG2-CD1 3.85Å; I225-I268 HydrophobicContact CG2-CG1 3.58Å; H226-I268 CarbonylContact O-C 3.48Å; H226-I268 WeakPolarHBondContact O-CA 3.45Å; I268-A294 HydrophobicContact CD1-CB 4.17Å; I268-I298 HydrophobicContact CD1-CG2 4.24Å; I268-I298 HydrophobicContact CG1-CG2 4.47Å
269	T	89.6	Confident	76.7	Confident	40 Å²	40	82.9 Å²	82.9	25%	0.245	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156	179.9	54.1	0	0	0	0	111	I225 H226 P267	I225-T269 WeakPolarHBondContact CA-O 3.41Å; H226-T269 PolarHBondContact CE1-OG1 3.26Å; H226-T269 PolarHBondContact N-O 3.45Å; H226-T269 PolarHBondContact ND1-OG1 3.34Å; H226-T269 PolarHBondContact NE2-OG1 3.34Å; H226-T269 PolarHBondContact O-N 3.22Å; P267-T269 PolarHBondContact O-N 3.16Å
270	V	93	Very high	79	Confident	6 Å²	6	75 Å²	75	4%	0.036	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.8	179.2	-175.9	0	0	0	0	109.2	A223 I225 V274 I298 L299 R302	A223-V270 HydrophobicContact CB-CG1 4.22Å; I225-V270 HydrophobicContact CG1-CG2 4.22Å; V270-V274 HydrophobicContact CG1-CG1 4Å; V270-I298 HydrophobicContact CG2-CB 4.46Å; V270-I298 HydrophobicContact CG2-CG1 3.77Å; V270-I298 HydrophobicContact CG2-CG2 3.91Å; V270-L299 HydrophobicContact CG1-CD2 4.4Å; V270-L299 HydrophobicContact CG2-CD2 4.35Å; V270-R302 PolarHBondContact O-NH1 3.48Å
271	V	94.1	Very high	81.7	Confident	86 Å²	86	66.1 Å²	66.1	52%	0.521	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.2	170	178.1	0	0	0	0	108	A223 V224	A223-V271 CarbonylContact C-O 3.59Å; A223-V271 WeakPolarHBondContact CA-O 3.38Å; V224-V271 PolarHBondContact N-O 3.13Å; V224-V271 PolarHBondContact O-N 2.98Å
272	G	92.8	Very high	84.3	Confident	38 Å²	38	57.7 Å²	57.7	39%	0.392	34%	0.337	S	S	.	.	S	Bend	trans	128.6	159	-174.7	0	0	0	0	0	112.3
273	D	94.7	Very high	86.4	Confident	95 Å²	95	54 Å²	54	51%	0.508	30%	0.304	S	S	.	.			trans	-87.1	119	176.8	175.7	34.1	0	0	0	110.8	G275 R277	D273-G275 PolarHBondContact OD1-N 3.26Å; D273-R277 IonicContact OD2-CZ 3.98Å; D273-R277 IonicContact OD2-NE 2.92Å; D273-R277 PolarHBondContact OD2-NE 3.15Å; D273-R277 IonicContact OD2-NH2 3.31Å; D273-R277 PolarHBondContact OD2-NH2 3.08Å
274	V	96.8	Very high	88.7	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	26%	0.264	C	S	.	.			trans	-122.5	-4.5	-179.1	-55	0	0	0	0	112.9	V199 A223 V270 R277 L299 R302	V199-V274 HydrophobicContact CG1-CB 4.19Å; V199-V274 HydrophobicContact CG1-CG1 3.95Å; A223-V274 HydrophobicContact CB-CG1 3.73Å; V270-V274 HydrophobicContact CG1-CG1 4Å; V274-R277 PolarHBondContact O-N 2.61Å; V274-L299 HydrophobicContact CB-CD2 4.24Å; V274-L299 HydrophobicContact CG1-CD2 3.85Å; V274-L299 HydrophobicContact CG2-CD2 4.23Å; V274-R302 HydrophobicContact CG2-CB 3.48Å; V274-R302 VanDerWaalsContact CG2-CB 3.48Å
275	G	96.6	Very high	90.8	Very high	33 Å²	33	36.6 Å²	36.6	34%	0.34	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	130.5	-172.8	0	0	0	0	0	112.3	D273 R277 R302	D273-G275 PolarHBondContact OD1-N 3.26Å; G275-R277 PolarHBondContact O-N 2.96Å; G275-R302 WeakPolarHBondContact CA-O 3.33Å
276	G	96.6	Very high	92.7	Very high	46 Å²	46	31.7 Å²	31.7	47%	0.474	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	14.8	180	0	0	0	0	0	114.4	N197 G303 Y305	N197-G276 PolarHBondContact ND2-O 3.38Å; G276-G303 PolarHBondContact N-O 2.98Å; G276-Y305 WeakPolarHBondContact O-CE1 3.37Å
277	R	97.8	Very high	94.4	Very high	79 Å²	79	29.9 Å²	29.9	30%	0.298	19%	0.191	S	C	.	.	S	Bend	trans	-116.5	164.2	-178.2	-63	-176.5	-163.1	-138	8.7	111.9	N197 V199 D273 V274 G275 A304 Y305	N197-R277 WeakPolarHBondContact O-CA 3.29Å; N197-R277 VanDerWaalsContact O-CB 3.26Å; N197-R277 WeakPolarHBondContact O-CB 3.45Å; V199-R277 HydrophobicContact CG1-CB 4.23Å; D273-R277 IonicContact OD2-CZ 3.98Å; D273-R277 IonicContact OD2-NE 2.92Å; D273-R277 PolarHBondContact OD2-NE 3.15Å; D273-R277 IonicContact OD2-NH2 3.31Å; D273-R277 PolarHBondContact OD2-NH2 3.08Å; V274-R277 PolarHBondContact O-N 2.61Å; G275-R277 PolarHBondContact O-N 2.96Å; R277-A304 WeakPolarHBondContact O-CA 3.22Å; R277-Y305 VanDerWaalsContact O-CD1 3.26Å; R277-Y305 WeakPolarHBondContact O-CD1 3.32Å; R277-Y305 PolarHBondContact O-N 3.41Å; R277-Y305 VanDerWaalsContact O-N 3.14Å
278	I	98.5	Very high	95	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.7	165	-59.6	169.8	0	0	0	107.3	I192 P193 D194 N197 A198 V199 I280 Y305 K306 F308	I192-I278 HydrophobicContact CG2-CD1 4.24Å; P193-I278 WeakPolarHBondContact O-CD1 3.39Å; D194-I278 HydrophobicContact CB-CD1 4.49Å; N197-I278 PolarHBondContact O-N 2.74Å; A198-I278 CarbonylContact C-O 3.59Å; A198-I278 WeakPolarHBondContact CA-O 3.43Å; A198-I278 HydrophobicContact CB-CB 3.83Å; A198-I278 HydrophobicContact CB-CG2 4.22Å; A198-I278 WeakPolarHBondContact CB-O 3.42Å; V199-I278 PolarHBondContact N-O 3.17Å; I278-I280 HydrophobicContact CG2-CG1 4.1Å; I278-Y305 HydrophobicContact CG1-CE1 3.99Å; I278-Y305 HydrophobicContact CG1-CE2 3.93Å; I278-Y305 VanDerWaalsContact CG1-CZ 3.45Å; I278-Y305 WeakPolarHBondContact CG1-OH 3.48Å; I278-K306 HydrophobicContact CG1-CB 4.25Å; I278-K306 HydrophobicContact CG2-CB 4.17Å; I278-F308 HydrophobicContact CG2-CD2 3.52Å; I278-F308 HydrophobicContact CG2-CE2 3.62Å
279	A	98.5	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126	172.5	0	0	0	0	0	110	V199 V201 L299 A304 K306 I307 F308	V199-A279 HydrophobicContact CG1-CB 4.46Å; V201-A279 HydrophobicContact CG2-CB 3.95Å; A279-L299 HydrophobicContact CB-CB 4.44Å; A279-L299 HydrophobicContact CB-CD1 3.88Å; A279-L299 HydrophobicContact CB-CD2 4.22Å; A279-L299 HydrophobicContact CB-CG 4.42Å; A279-A304 HydrophobicContact CB-CB 3.92Å; A279-K306 PolarHBondContact N-O 2.87Å; A279-I307 CarbonylContact O-C 3.56Å; A279-I307 WeakPolarHBondContact O-CA 3.42Å; A279-F308 PolarHBondContact O-N 2.93Å
280	I	98.6	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.1	176.1	-54	176.1	0	0	0	108.1	I188 I192 A198 V199 I200 V201 I278 V282 F308 M310	I188-I280 HydrophobicContact CD1-CD1 4.5Å; I188-I280 HydrophobicContact CD1-CG2 4.26Å; I188-I280 HydrophobicContact CG1-CD1 4.45Å; I188-I280 HydrophobicContact CG2-CD1 3.9Å; I192-I280 HydrophobicContact CD1-CD1 3.95Å; I192-I280 HydrophobicContact CD1-CG1 4.46Å; A198-I280 HydrophobicContact CB-CD1 3.71Å; A198-I280 HydrophobicContact CB-CG1 4.09Å; V199-I280 PolarHBondContact O-N 3.36Å; I200-I280 CarbonylContact C-O 3.54Å; I200-I280 WeakPolarHBondContact CA-O 3.45Å; I200-I280 HydrophobicContact CD1-CB 3.94Å; I200-I280 HydrophobicContact CD1-CD1 4.17Å; I200-I280 HydrophobicContact CD1-CG2 4.33Å; V201-I280 PolarHBondContact N-O 2.88Å; I278-I280 HydrophobicContact CG2-CG1 4.1Å; I280-V282 HydrophobicContact CG2-CG2 4.26Å; I280-F308 CarbonylContact C-O 3.56Å; I280-F308 WeakPolarHBondContact CA-O 3.48Å; I280-F308 HydrophobicContact CG1-CB 4.29Å; I280-F308 HydrophobicContact CG2-CB 4.3Å; I280-M310 HydrophobicContact CG2-CE 4.35Å; I280-M310 HydrophobicContact CG2-CG 3.61Å
281	I	98.4	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.8	174.9	-59.2	168.7	0	0	0	108.5	V201 K203 F292 A295 L299 I307 F308 V309 M310	V201-I281 HydrophobicContact CB-CG1 4.11Å; V201-I281 HydrophobicContact CG1-CG1 4.37Å; V201-I281 VanDerWaalsContact O-CA 3.31Å; V201-I281 WeakPolarHBondContact O-CA 3.43Å; K203-I281 HydrophobicContact CB-CG2 4.12Å; I281-F292 HydrophobicContact CG2-CD1 4.13Å; I281-F292 HydrophobicContact CG2-CE1 4.16Å; I281-A295 HydrophobicContact CD1-CB 4.03Å; I281-L299 HydrophobicContact CD1-CD1 3.79Å; I281-L299 HydrophobicContact CG1-CD1 3.85Å; I281-I307 HydrophobicContact CD1-CG2 4.13Å; I281-F308 PolarHBondContact N-O 3.13Å; I281-V309 HydrophobicContact CB-CG2 4.28Å; I281-V309 HydrophobicContact CD1-CG2 4.2Å; I281-V309 CarbonylContact O-C 3.5Å; I281-V309 WeakPolarHBondContact O-CA 3.48Å; I281-M310 PolarHBondContact O-N 2.93Å
282	V	97.6	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.5	178.2	-179.5	0	0	0	0	110	I200 V201 R210 Y214 I280 M310	I200-V282 HydrophobicContact CG2-CB 4.37Å; I200-V282 HydrophobicContact CG2-CG2 3.72Å; V201-V282 PolarHBondContact O-N 3.32Å; R210-V282 HydrophobicContact CG-CG1 4Å; Y214-V282 HydrophobicContact CD1-CG1 4.15Å; Y214-V282 HydrophobicContact CD1-CG2 3.9Å; Y214-V282 HydrophobicContact CD2-CG1 3.9Å; Y214-V282 HydrophobicContact CE1-CG1 4.06Å; Y214-V282 HydrophobicContact CE1-CG2 4.33Å; Y214-V282 HydrophobicContact CE2-CG1 3.79Å; Y214-V282 HydrophobicContact CG-CG1 4.06Å; Y214-V282 HydrophobicContact CG-CG2 4.14Å; I280-V282 HydrophobicContact CG2-CG2 4.26Å; V282-M310 WeakPolarHBondContact CA-O 3.5Å; V282-M310 HydrophobicContact CG2-CB 4.26Å
283	D	96.1	Very high	95.8	Very high	14 Å²	14	28.1 Å²	28.1	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	172.9	173.9	-142.3	-29.1	0	0	0	111.1	K203 R210 F292 M310 A311	K203-D283 WeakPolarHBondContact CE-OD2 3.46Å; R210-D283 IonicContact CZ-OD1 2.75Å; R210-D283 IonicContact NH1-OD1 2.77Å; R210-D283 PolarHBondContact NH1-OD1 3.13Å; D283-F292 HydrophobicContact CB-CE1 3.94Å; D283-F292 HydrophobicContact CB-CZ 3.83Å; D283-M310 PolarHBondContact N-O 3.26Å; D283-A311 VanDerWaalsContact O-CA 3.28Å; D283-A311 WeakPolarHBondContact O-CA 3.49Å
284	D	96	Very high	95.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-37.8	174	54.5	-61.8	0	0	0	112.1	H163 R210 T312 H313	H163-D284 WeakPolarHBondContact CA-OD2 3.37Å; H163-D284 IonicContact CE1-OD2 3.56Å; H163-D284 IonicContact CG-OD2 3.96Å; H163-D284 IonicContact ND1-OD1 2.99Å; H163-D284 IonicContact ND1-OD2 3.43Å; H163-D284 PolarHBondContact ND1-OD2 3.16Å; R210-D284 VanDerWaalsContact CZ-CB 3.43Å; R210-D284 IonicContact CZ-OD1 3.89Å; R210-D284 IonicContact NH1-OD1 3.74Å; R210-D284 PolarHBondContact NH1-OD1 3.18Å; R210-D284 VanDerWaalsContact NH2-CB 3.31Å; R210-D284 IonicContact NH2-OD1 2.88Å; R210-D284 PolarHBondContact NH2-OD1 3.03Å; R210-D284 IonicContact NH2-OD2 2.87Å; D284-T312 PolarHBondContact O-N 3.33Å; D284-T312 VanDerWaalsContact O-N 3.11Å; D284-H313 PolarHBondContact O-CD2 2.88Å; D284-H313 PolarHBondContact O-N 3.26Å
285	I	97.3	Very high	95.7	Very high	11 Å²	11	24.7 Å²	24.7	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.5	-173.6	-61.8	161.5	0	0	0	109.6	Y125 K130 H163 D287 H313 L315	Y125-I285 HydrophobicContact CE2-CD1 3.92Å; Y125-I285 HydrophobicContact CE2-CG1 4.24Å; K130-I285 HydrophobicContact CD-CD1 4.22Å; K130-I285 HydrophobicContact CG-CD1 3.98Å; H163-I285 HydrophobicContact CB-CD1 4.24Å; I285-D287 HydrophobicContact CG2-CB 3.95Å; I285-H313 WeakPolarHBondContact CA-O 3.42Å; I285-H313 HydrophobicContact CB-CB 4.45Å; I285-H313 HydrophobicContact CG1-CB 3.94Å; I285-L315 HydrophobicContact CG2-CD1 4.1Å; I285-L315 HydrophobicContact CG2-CD2 4.48Å
286	I	96.4	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.6	162.4	-173.7	172.9	0	0	0	109	V289 F292 V309 A311 H313 L315 L316 I324 V332 V334	I286-V289 HydrophobicContact CD1-CG2 3.97Å; I286-V289 HydrophobicContact CG1-CG2 4.39Å; I286-F292 HydrophobicContact CB-CE2 4.3Å; I286-F292 HydrophobicContact CB-CZ 4.25Å; I286-F292 HydrophobicContact CG1-CD2 4.19Å; I286-F292 HydrophobicContact CG1-CE2 4.01Å; I286-F292 HydrophobicContact CG1-CZ 4.33Å; I286-V309 HydrophobicContact CD1-CG1 4.3Å; I286-A311 HydrophobicContact CB-CB 4.23Å; I286-A311 HydrophobicContact CG2-CB 4.03Å; I286-H313 PolarHBondContact N-O 3.04Å; I286-L315 WeakPolarHBondContact O-CA 3.37Å; I286-L315 WeakPolarHBondContact O-CB 3.41Å; I286-L315 PolarHBondContact O-N 3.29Å; I286-L316 HydrophobicContact CD1-CD2 3.89Å; I286-L316 HydrophobicContact CG1-CD2 3.99Å; I286-L316 HydrophobicContact CG2-CD2 3.94Å; I286-L316 HydrophobicContact CG2-CG 4.23Å; I286-L316 PolarHBondContact O-N 3.47Å; I286-I324 HydrophobicContact CD1-CD1 4.2Å; I286-V332 HydrophobicContact CD1-CG1 3.88Å; I286-V334 HydrophobicContact CG2-CG1 3.52Å
287	D	93.9	Very high	95.7	Very high	32 Å²	32	24.5 Å²	24.5	17%	0.171	13%	0.128	C	C	.	.	S	Bend	trans	-132.4	-80.2	-172.5	174.7	25.6	0	0	0	109.1	K130 I285 L315 S317	K130-D287 IonicContact NZ-OD2 2.68Å; K130-D287 PolarHBondContact NZ-OD2 2.9Å; I285-D287 HydrophobicContact CG2-CB 3.95Å; D287-L315 HydrophobicContact CB-CB 3.94Å; D287-L315 HydrophobicContact CB-CD2 4.2Å; D287-S317 PolarHBondContact O-N 3.42Å; D287-S317 VanDerWaalsContact O-N 3.14Å; D287-S317 VanDerWaalsContact OD1-CB 3.24Å; D287-S317 WeakPolarHBondContact OD1-CB 3.46Å; D287-S317 PolarHBondContact OD1-OG 3.13Å
288	D	88.9	Confident	95.6	Very high	88 Å²	88	21.8 Å²	21.8	47%	0.471	12%	0.119	S	C	.	.			trans	-81.8	131.2	160.4	179	7.1	0	0	0	109.1	E290	D288-E290 PolarHBondContact OD1-N 2.8Å; D288-E290 VanDerWaalsContact OD1-N 3.09Å
289	V	94.4	Very high	95.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.119	C	C	.	.			trans	-104.8	-7.9	-170.8	79.7	0	0	0	0	113.8	I286 S291 F292 V293 A320 L323 I324	I286-V289 HydrophobicContact CD1-CG2 3.97Å; I286-V289 HydrophobicContact CG1-CG2 4.39Å; V289-S291 VanDerWaalsContact C-N 3.28Å; V289-S291 PolarHBondContact O-N 3.23Å; V289-F292 HydrophobicContact CG2-CB 3.84Å; V289-F292 HydrophobicContact CG2-CD2 4.43Å; V289-F292 HydrophobicContact CG2-CG 4.43Å; V289-F292 WeakPolarHBondContact O-CA 3.49Å; V289-F292 WeakPolarHBondContact O-CB 3.43Å; V289-F292 PolarHBondContact O-N 2.94Å; V289-V293 HydrophobicContact CG1-CG2 4.35Å; V289-V293 HydrophobicContact CG2-CG2 4.36Å; V289-V293 PolarHBondContact O-N 2.84Å; V289-A320 HydrophobicContact CB-CB 4.1Å; V289-A320 HydrophobicContact CG1-CB 3.93Å; V289-L323 HydrophobicContact CG1-CB 3.55Å; V289-L323 HydrophobicContact CG1-CD1 3.77Å; V289-L323 HydrophobicContact CG1-CG 4.31Å; V289-I324 HydrophobicContact CB-CG1 4.46Å; V289-I324 HydrophobicContact CG1-CG1 4.44Å; V289-I324 HydrophobicContact CG2-CD1 4.01Å; V289-I324 HydrophobicContact CG2-CG1 3.58Å
290	E	92.1	Very high	95.5	Very high	99 Å²	99	25.9 Å²	25.9	46%	0.463	14%	0.137	S	C	.	.	H	α-helix	trans	-53.9	-46	-178	-72.3	-172.4	-177.7	0	0	112.1	C231 D288 F292 V293 A294	C231-E290 PolarHBondContact SG-OE2 3.23Å; D288-E290 PolarHBondContact OD1-N 2.8Å; D288-E290 VanDerWaalsContact OD1-N 3.09Å; E290-F292 VanDerWaalsContact C-N 3.28Å; E290-F292 PolarHBondContact O-N 2.93Å; E290-V293 PolarHBondContact O-N 3.4Å; E290-A294 PolarHBondContact O-N 3.44Å
291	S	91.3	Very high	95.3	Very high	48 Å²	48	33 Å²	33	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-65.7	-27.6	177.4	66	0	0	0	0	113.9	K203 V289 A295	K203-S291 PolarHBondContact NZ-OG 2.98Å; V289-S291 VanDerWaalsContact C-N 3.28Å; V289-S291 PolarHBondContact O-N 3.23Å; S291-A295 VanDerWaalsContact O-CB 3.25Å; S291-A295 WeakPolarHBondContact O-CB 3.12Å; S291-A295 PolarHBondContact O-N 3.21Å; S291-A295 VanDerWaalsContact O-N 3.13Å
292	F	95.6	Very high	95.2	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-76.5	-37.9	174.2	-71.1	-93.7	0	0	0	111.2	K203 I281 D283 I286 V289 E290 A295 A296 V309 I329	K203-F292 HydrophobicContact CD-CD1 3.67Å; K203-F292 HydrophobicContact CD-CD2 3.74Å; K203-F292 HydrophobicContact CD-CE1 3.66Å; K203-F292 HydrophobicContact CD-CE2 3.75Å; K203-F292 HydrophobicContact CD-CG 3.71Å; K203-F292 HydrophobicContact CD-CZ 3.71Å; K203-F292 VanDerWaalsContact CE-CZ 3.49Å; I281-F292 HydrophobicContact CG2-CD1 4.13Å; I281-F292 HydrophobicContact CG2-CE1 4.16Å; D283-F292 HydrophobicContact CB-CE1 3.94Å; D283-F292 HydrophobicContact CB-CZ 3.83Å; I286-F292 HydrophobicContact CB-CE2 4.3Å; I286-F292 HydrophobicContact CB-CZ 4.25Å; I286-F292 HydrophobicContact CG1-CD2 4.19Å; I286-F292 HydrophobicContact CG1-CE2 4.01Å; I286-F292 HydrophobicContact CG1-CZ 4.33Å; V289-F292 HydrophobicContact CG2-CB 3.84Å; V289-F292 HydrophobicContact CG2-CD2 4.43Å; V289-F292 HydrophobicContact CG2-CG 4.43Å; V289-F292 WeakPolarHBondContact O-CA 3.49Å; V289-F292 WeakPolarHBondContact O-CB 3.43Å; V289-F292 PolarHBondContact O-N 2.94Å; E290-F292 VanDerWaalsContact C-N 3.28Å; E290-F292 PolarHBondContact O-N 2.93Å; F292-A295 WeakPolarHBondContact O-CB 3.26Å; F292-A295 PolarHBondContact O-N 3.39Å; F292-A296 WeakPolarHBondContact O-CB 3.48Å; F292-A296 PolarHBondContact O-N 3.21Å; F292-V309 HydrophobicContact CD1-CG1 3.61Å; F292-V309 HydrophobicContact CD1-CG2 4.25Å; F292-V309 HydrophobicContact CE1-CG1 3.67Å; F292-I329 HydrophobicContact CB-CD1 4.43Å
293	V	96.3	Very high	95.2	Very high	32 Å²	32	40 Å²	40	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-48.8	174.6	174.6	0	0	0	0	110.2	V289 E290 A295 A296 E297 I329	V289-V293 HydrophobicContact CG1-CG2 4.35Å; V289-V293 HydrophobicContact CG2-CG2 4.36Å; V289-V293 PolarHBondContact O-N 2.84Å; E290-V293 PolarHBondContact O-N 3.4Å; V293-A295 VanDerWaalsContact C-N 3.27Å; V293-A295 PolarHBondContact O-N 3.06Å; V293-A296 WeakPolarHBondContact O-CA 3.42Å; V293-A296 WeakPolarHBondContact O-CB 3.36Å; V293-A296 PolarHBondContact O-N 3.12Å; V293-E297 WeakPolarHBondContact O-CG 3.32Å; V293-E297 PolarHBondContact O-N 3.23Å; V293-I329 HydrophobicContact CG2-CD1 4.46Å
294	A	94.4	Very high	95.3	Very high	26 Å²	26	39.5 Å²	39.5	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-39.7	176	0	0	0	0	0	112.2	A229 I268 E290 A296 I298	A229-A294 HydrophobicContact CB-CB 4.18Å; I268-A294 HydrophobicContact CD1-CB 4.17Å; E290-A294 PolarHBondContact O-N 3.44Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-I298 WeakPolarHBondContact O-CG2 3.26Å; A294-I298 PolarHBondContact O-N 2.9Å
295	A	95.2	Very high	95.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-39.7	172.7	0	0	0	0	0	112.4	K203 I225 I281 S291 F292 V293 I298 L299	K203-A295 HydrophobicContact CG-CB 4.41Å; I225-A295 HydrophobicContact CD1-CB 3.41Å; I225-A295 VanDerWaalsContact CD1-CB 3.41Å; I281-A295 HydrophobicContact CD1-CB 4.03Å; S291-A295 VanDerWaalsContact O-CB 3.25Å; S291-A295 WeakPolarHBondContact O-CB 3.12Å; S291-A295 PolarHBondContact O-N 3.21Å; S291-A295 VanDerWaalsContact O-N 3.13Å; F292-A295 WeakPolarHBondContact O-CB 3.26Å; F292-A295 PolarHBondContact O-N 3.39Å; V293-A295 VanDerWaalsContact C-N 3.27Å; V293-A295 PolarHBondContact O-N 3.06Å; A295-I298 WeakPolarHBondContact O-CG2 3.48Å; A295-L299 WeakPolarHBondContact O-CB 3.34Å; A295-L299 VanDerWaalsContact O-CD1 3.29Å; A295-L299 WeakPolarHBondContact O-CD1 3.46Å; A295-L299 WeakPolarHBondContact O-CG 3.47Å; A295-L299 PolarHBondContact O-N 3.19Å; A295-L299 VanDerWaalsContact O-N 3.15Å
296	A	97	Very high	95.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-45.9	177.8	0	0	0	0	0	111.8	F292 V293 A294 I298 L299 K300 I307 S328 I329	F292-A296 WeakPolarHBondContact O-CB 3.48Å; F292-A296 PolarHBondContact O-N 3.21Å; V293-A296 WeakPolarHBondContact O-CA 3.42Å; V293-A296 WeakPolarHBondContact O-CB 3.36Å; V293-A296 PolarHBondContact O-N 3.12Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A296-I298 PolarHBondContact O-N 2.94Å; A296-L299 PolarHBondContact O-N 2.83Å; A296-K300 PolarHBondContact O-N 2.87Å; A296-I307 HydrophobicContact CB-CD1 3.9Å; A296-I307 HydrophobicContact CB-CG2 4Å; A296-I307 WeakPolarHBondContact O-CD1 3.45Å; A296-S328 WeakPolarHBondContact CB-OG 3.41Å; A296-I329 HydrophobicContact CB-CD1 4.29Å; A296-I329 HydrophobicContact CB-CG1 3.51Å
297	E	96	Very high	95.5	Very high	75 Å²	75	46.8 Å²	46.8	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-46.3	179.4	-61.9	-47.4	129.6	0	0	111.9	V293 L299 K300 E301 S328	V293-E297 WeakPolarHBondContact O-CG 3.32Å; V293-E297 PolarHBondContact O-N 3.23Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.06Å; E297-K300 WeakPolarHBondContact O-CB 3.31Å; E297-K300 PolarHBondContact O-N 2.97Å; E297-K300 VanDerWaalsContact O-N 3.11Å; E297-E301 WeakPolarHBondContact O-CG 3.22Å; E297-E301 PolarHBondContact O-N 2.77Å; E297-S328 VanDerWaalsContact CD-OG 3.27Å; E297-S328 WeakPolarHBondContact OE1-CB 3.43Å; E297-S328 PolarHBondContact OE1-N 3.17Å; E297-S328 PolarHBondContact OE1-OG 3.39Å
298	I	95.6	Very high	95.7	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.108	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-33.5	178.4	-168.3	63.6	0	0	0	112.5	I225 I268 V270 A294 A295 A296 E301 R302	I225-I298 HydrophobicContact CD1-CG2 4.25Å; I268-I298 HydrophobicContact CD1-CG2 4.24Å; I268-I298 HydrophobicContact CG1-CG2 4.47Å; V270-I298 HydrophobicContact CG2-CB 4.46Å; V270-I298 HydrophobicContact CG2-CG1 3.77Å; V270-I298 HydrophobicContact CG2-CG2 3.91Å; A294-I298 WeakPolarHBondContact O-CG2 3.26Å; A294-I298 PolarHBondContact O-N 2.9Å; A295-I298 WeakPolarHBondContact O-CG2 3.48Å; A296-I298 PolarHBondContact O-N 2.94Å; I298-E301 WeakPolarHBondContact CD1-OE2 3.28Å; I298-R302 WeakPolarHBondContact O-CG 3.42Å; I298-R302 PolarHBondContact O-N 2.78Å; I298-R302 VanDerWaalsContact O-N 3.13Å
299	L	97.2	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-40.2	173.9	-71.3	166.2	0	0	0	110.9	V201 I225 V270 V274 A279 I281 A295 A296 E297 R302 G303 A304 I307	V201-L299 HydrophobicContact CG1-CD1 4.2Å; V201-L299 HydrophobicContact CG1-CD2 4.16Å; V201-L299 HydrophobicContact CG2-CD1 4.3Å; V201-L299 HydrophobicContact CG2-CD2 4.02Å; I225-L299 HydrophobicContact CD1-CD1 4.31Å; I225-L299 HydrophobicContact CD1-CG 4.29Å; V270-L299 HydrophobicContact CG1-CD2 4.4Å; V270-L299 HydrophobicContact CG2-CD2 4.35Å; V274-L299 HydrophobicContact CB-CD2 4.24Å; V274-L299 HydrophobicContact CG1-CD2 3.85Å; V274-L299 HydrophobicContact CG2-CD2 4.23Å; A279-L299 HydrophobicContact CB-CB 4.44Å; A279-L299 HydrophobicContact CB-CD1 3.88Å; A279-L299 HydrophobicContact CB-CD2 4.22Å; A279-L299 HydrophobicContact CB-CG 4.42Å; I281-L299 HydrophobicContact CD1-CD1 3.79Å; I281-L299 HydrophobicContact CG1-CD1 3.85Å; A295-L299 WeakPolarHBondContact O-CB 3.34Å; A295-L299 VanDerWaalsContact O-CD1 3.29Å; A295-L299 WeakPolarHBondContact O-CD1 3.46Å; A295-L299 WeakPolarHBondContact O-CG 3.47Å; A295-L299 PolarHBondContact O-N 3.19Å; A295-L299 VanDerWaalsContact O-N 3.15Å; A296-L299 PolarHBondContact O-N 2.83Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.06Å; L299-R302 CarbonylContact O-C 3.59Å; L299-R302 PolarHBondContact O-N 2.94Å; L299-G303 PolarHBondContact O-N 2.73Å; L299-A304 HydrophobicContact CB-CB 4.1Å; L299-A304 WeakPolarHBondContact O-CB 3.26Å; L299-A304 PolarHBondContact O-N 2.74Å; L299-I307 HydrophobicContact CB-CD1 4.2Å
300	K	96.9	Very high	96.3	Very high	87 Å²	87	41.5 Å²	41.5	38%	0.378	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-46.3	176.3	-159.7	80.5	-173.4	-174.7	0	111.5	A296 E297 R302 G303 A304 Y305 I307	A296-K300 PolarHBondContact O-N 2.87Å; E297-K300 WeakPolarHBondContact O-CB 3.31Å; E297-K300 PolarHBondContact O-N 2.97Å; E297-K300 VanDerWaalsContact O-N 3.11Å; K300-R302 PolarHBondContact O-N 2.78Å; K300-G303 PolarHBondContact O-N 2.95Å; K300-A304 WeakPolarHBondContact CD-O 3.23Å; K300-Y305 PolarHBondContact NZ-O 2.87Å; K300-I307 HydrophobicContact CB-CD1 4.2Å; K300-I307 HydrophobicContact CD-CD1 4.16Å
301	E	95.8	Very high	96.6	Very high	151 Å²	151	36.8 Å²	36.8	71%	0.706	18%	0.184	S	C	*	.	H	α-helix	trans	-58.5	-34.6	175.6	-73.7	177.8	-178.8	0	0	112.3	E297 I298 G303	E297-E301 WeakPolarHBondContact O-CG 3.22Å; E297-E301 PolarHBondContact O-N 2.77Å; I298-E301 WeakPolarHBondContact CD1-OE2 3.28Å; E301-G303 PolarHBondContact O-N 2.84Å
302	R	96	Very high	96.9	Very high	111 Å²	111	34.6 Å²	34.6	42%	0.419	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	10.6	175	-66.8	-154.3	-177.6	-163.9	5.5	114.6	V270 V274 G275 I298 L299 K300	V270-R302 PolarHBondContact O-NH1 3.48Å; V274-R302 HydrophobicContact CG2-CB 3.48Å; V274-R302 VanDerWaalsContact CG2-CB 3.48Å; G275-R302 WeakPolarHBondContact CA-O 3.33Å; I298-R302 WeakPolarHBondContact O-CG 3.42Å; I298-R302 PolarHBondContact O-N 2.78Å; I298-R302 VanDerWaalsContact O-N 3.13Å; L299-R302 CarbonylContact O-C 3.59Å; L299-R302 PolarHBondContact O-N 2.94Å; K300-R302 PolarHBondContact O-N 2.78Å
303	G	96.4	Very high	97.1	Very high	36 Å²	36	34.5 Å²	34.5	37%	0.371	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	15	170.4	0	0	0	0	0	115	G276 L299 K300 E301 Y305	G276-G303 PolarHBondContact N-O 2.98Å; L299-G303 PolarHBondContact O-N 2.73Å; K300-G303 PolarHBondContact O-N 2.95Å; E301-G303 PolarHBondContact O-N 2.84Å; G303-Y305 PolarHBondContact O-N 2.91Å
304	A	98.1	Very high	97.1	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.159	C	C	.	.			trans	-66.3	124.3	166.7	0	0	0	0	0	109	R277 A279 L299 K300	R277-A304 WeakPolarHBondContact O-CA 3.22Å; A279-A304 HydrophobicContact CB-CB 3.92Å; L299-A304 HydrophobicContact CB-CB 4.1Å; L299-A304 WeakPolarHBondContact O-CB 3.26Å; L299-A304 PolarHBondContact O-N 2.74Å; K300-A304 WeakPolarHBondContact CD-O 3.23Å
305	Y	97.1	Very high	97.2	Very high	95 Å²	95	33.3 Å²	33.3	37%	0.373	16%	0.156	S	C	.	.	S	Bend	trans	-89.8	-23.9	-173.8	68.9	-89.2	0	0	0	112.9	G276 R277 I278 K300 G303	G276-Y305 WeakPolarHBondContact O-CE1 3.37Å; R277-Y305 VanDerWaalsContact O-CD1 3.26Å; R277-Y305 WeakPolarHBondContact O-CD1 3.32Å; R277-Y305 PolarHBondContact O-N 3.41Å; R277-Y305 VanDerWaalsContact O-N 3.14Å; I278-Y305 HydrophobicContact CG1-CE1 3.99Å; I278-Y305 HydrophobicContact CG1-CE2 3.93Å; I278-Y305 VanDerWaalsContact CG1-CZ 3.45Å; I278-Y305 WeakPolarHBondContact CG1-OH 3.48Å; K300-Y305 PolarHBondContact NZ-O 2.87Å; G303-Y305 PolarHBondContact O-N 2.91Å
306	K	98.1	Very high	97.2	Very high	73 Å²	73	33.3 Å²	33.3	32%	0.317	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.2	170.7	-76.4	-171.4	173.2	-170.4	0	111.9	I278 A279 F308 D330	I278-K306 HydrophobicContact CG1-CB 4.25Å; I278-K306 HydrophobicContact CG2-CB 4.17Å; A279-K306 PolarHBondContact N-O 2.87Å; K306-F308 HydrophobicContact CB-CE2 3.98Å; K306-F308 HydrophobicContact CD-CE2 4.15Å; K306-F308 HydrophobicContact CD-CZ 4.44Å; K306-D330 WeakPolarHBondContact CA-OD2 3.18Å
307	I	98.5	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.7	-175.1	-56.2	170.7	0	0	0	109.6	A279 I281 A296 L299 K300 I329 D330	A279-I307 CarbonylContact O-C 3.56Å; A279-I307 WeakPolarHBondContact O-CA 3.42Å; I281-I307 HydrophobicContact CD1-CG2 4.13Å; A296-I307 HydrophobicContact CB-CD1 3.9Å; A296-I307 HydrophobicContact CB-CG2 4Å; A296-I307 WeakPolarHBondContact O-CD1 3.45Å; L299-I307 HydrophobicContact CB-CD1 4.2Å; K300-I307 HydrophobicContact CB-CD1 4.2Å; K300-I307 HydrophobicContact CD-CD1 4.16Å; I307-I329 HydrophobicContact CG2-CG1 4.43Å; I307-D330 PolarHBondContact N-OD2 2.68Å; I307-D330 WeakPolarHBondContact O-CB 3.14Å; I307-D330 PolarHBondContact O-N 2.72Å
308	F	98.7	Very high	96.7	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.1	174.8	-66.7	-101.3	0	0	0	109.5	I192 I278 A279 I280 I281 K306 M310 E331	I192-F308 HydrophobicContact CD1-CB 4.31Å; I192-F308 HydrophobicContact CD1-CD1 3.58Å; I192-F308 HydrophobicContact CD1-CD2 4.17Å; I192-F308 HydrophobicContact CD1-CE1 3.89Å; I192-F308 HydrophobicContact CD1-CE2 4.41Å; I192-F308 HydrophobicContact CD1-CG 3.76Å; I192-F308 HydrophobicContact CD1-CZ 4.29Å; I192-F308 HydrophobicContact CG1-CD1 4.04Å; I192-F308 HydrophobicContact CG1-CE1 3.83Å; I192-F308 HydrophobicContact CG1-CZ 4.17Å; I192-F308 HydrophobicContact CG2-CE2 4.06Å; I192-F308 HydrophobicContact CG2-CZ 4.04Å; I278-F308 HydrophobicContact CG2-CD2 3.52Å; I278-F308 HydrophobicContact CG2-CE2 3.62Å; A279-F308 PolarHBondContact O-N 2.93Å; I280-F308 CarbonylContact C-O 3.56Å; I280-F308 WeakPolarHBondContact CA-O 3.48Å; I280-F308 HydrophobicContact CG1-CB 4.29Å; I280-F308 HydrophobicContact CG2-CB 4.3Å; I281-F308 PolarHBondContact N-O 3.13Å; K306-F308 HydrophobicContact CB-CE2 3.98Å; K306-F308 HydrophobicContact CD-CE2 4.15Å; K306-F308 HydrophobicContact CD-CZ 4.44Å; F308-M310 HydrophobicContact CB-CE 4.22Å; F308-M310 HydrophobicContact CD1-CE 4.43Å; F308-E331 CarbonylContact C-O 3.59Å; F308-E331 WeakPolarHBondContact CA-O 3.5Å; F308-E331 HydrophobicContact CD1-CB 3.66Å; F308-E331 HydrophobicContact CD1-CG 4.42Å; F308-E331 HydrophobicContact CE1-CB 3.77Å; F308-E331 HydrophobicContact CE1-CG 4.5Å
309	V	98.6	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128	169.5	-178.2	0	0	0	0	108.9	I281 I286 F292 I329 E331 V332 V333	I281-V309 HydrophobicContact CB-CG2 4.28Å; I281-V309 HydrophobicContact CD1-CG2 4.2Å; I281-V309 CarbonylContact O-C 3.5Å; I281-V309 WeakPolarHBondContact O-CA 3.48Å; I286-V309 HydrophobicContact CD1-CG1 4.3Å; F292-V309 HydrophobicContact CD1-CG1 3.61Å; F292-V309 HydrophobicContact CD1-CG2 4.25Å; F292-V309 HydrophobicContact CE1-CG1 3.67Å; V309-I329 HydrophobicContact CG2-CD1 4.03Å; V309-I329 HydrophobicContact CG2-CG1 4.34Å; V309-I329 HydrophobicContact CG2-CG2 3.94Å; V309-E331 PolarHBondContact N-O 3.01Å; V309-V332 HydrophobicContact CB-CG1 4.45Å; V309-V332 HydrophobicContact CB-CG2 4.19Å; V309-V332 HydrophobicContact CG2-CG2 4.48Å; V309-V332 CarbonylContact O-C 3.57Å; V309-V332 WeakPolarHBondContact O-CA 3.46Å; V309-V333 PolarHBondContact O-N 3.03Å
310	M	98.3	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.6	177.6	-60.4	-77.5	161.9	0	0	108.2	Y187 I188 I192 I280 I281 V282 D283 F308 V333	Y187-M310 HydrophobicContact CD1-CE 4.03Å; Y187-M310 HydrophobicContact CD1-SD 4.49Å; Y187-M310 HydrophobicContact CE1-CE 4.3Å; I188-M310 HydrophobicContact CD1-CG 4.32Å; I188-M310 HydrophobicContact CD1-SD 4.43Å; I188-M310 HydrophobicContact CG1-CE 3.79Å; I188-M310 HydrophobicContact CG1-SD 4.12Å; I192-M310 HydrophobicContact CD1-CE 3.52Å; I280-M310 HydrophobicContact CG2-CE 4.35Å; I280-M310 HydrophobicContact CG2-CG 3.61Å; I281-M310 PolarHBondContact O-N 2.93Å; V282-M310 WeakPolarHBondContact CA-O 3.5Å; V282-M310 HydrophobicContact CG2-CB 4.26Å; D283-M310 PolarHBondContact N-O 3.26Å; F308-M310 HydrophobicContact CB-CE 4.22Å; F308-M310 HydrophobicContact CD1-CE 4.43Å; M310-V333 WeakPolarHBondContact CA-O 3.48Å; M310-V333 HydrophobicContact CE-CB 4.03Å; M310-V333 HydrophobicContact CE-CG2 3.6Å; M310-V333 HydrophobicContact SD-CB 3.53Å; M310-V333 VanDerWaalsContact SD-CB 3.53Å; M310-V333 HydrophobicContact SD-CG1 3.98Å; M310-V333 HydrophobicContact SD-CG2 3.83Å
311	A	97.9	Very high	96.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.6	172.2	0	0	0	0	0	112.1	D283 I286 V333 V334	D283-A311 VanDerWaalsContact O-CA 3.28Å; D283-A311 WeakPolarHBondContact O-CA 3.49Å; I286-A311 HydrophobicContact CB-CB 4.23Å; I286-A311 HydrophobicContact CG2-CB 4.03Å; A311-V333 PolarHBondContact N-O 3.46Å; A311-V334 HydrophobicContact CB-CG1 4.33Å; A311-V334 VanDerWaalsContact O-CA 3.27Å; A311-V334 WeakPolarHBondContact O-CA 3.2Å
312	T	98.1	Very high	96.5	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-49.8	174.5	-58	0	0	0	0	110.2	M160 D161 A180 D284 T335 T337	M160-T312 HydrophobicContact CE-CG2 3.58Å; M160-T312 HydrophobicContact CG-CG2 4.35Å; D161-T312 HydrophobicContact CB-CG2 3.89Å; D161-T312 WeakPolarHBondContact OD2-CG2 3.39Å; D161-T312 PolarHBondContact OD2-OG1 3.3Å; A180-T312 HydrophobicContact CB-CG2 3.56Å; D284-T312 PolarHBondContact O-N 3.33Å; D284-T312 VanDerWaalsContact O-N 3.11Å; T312-T335 HydrophobicContact CG2-CG2 4.26Å; T312-T335 WeakPolarHBondContact O-CB 3.43Å; T312-T335 PolarHBondContact O-N 3.28Å; T312-T335 VanDerWaalsContact O-N 3.14Å; T312-T335 PolarHBondContact O-OG1 3.42Å; T312-T337 HydrophobicContact CG2-CG2 4.22Å; T312-T337 PolarHBondContact O-OG1 3.4Å
313	H	98.2	Very high	96.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.7	-172.6	-51.1	-60.7	0	0	0	112.2	P124 Y125 M160 D161 D284 I285 I286 L315 T337	P124-H313 PolarHBondContact O-CE1 3.08Å; P124-H313 VanDerWaalsContact O-CE1 3.31Å; Y125-H313 HydrophobicContact CD2-CB 3.94Å; Y125-H313 AromaticContact CD2-CD2 3.77Å; Y125-H313 AromaticContact CD2-CG 3.56Å; Y125-H313 AromaticContact CD2-ND1 3.8Å; Y125-H313 HydrophobicContact CE2-CB 4.5Å; M160-H313 PolarHBondContact O-CE1 2.91Å; M160-H313 PolarHBondContact O-NE2 3.39Å; M160-H313 VanDerWaalsContact O-NE2 3.08Å; D161-H313 PolarHBondContact O-NE2 2.83Å; D284-H313 PolarHBondContact O-CD2 2.88Å; D284-H313 PolarHBondContact O-N 3.26Å; I285-H313 WeakPolarHBondContact CA-O 3.42Å; I285-H313 HydrophobicContact CB-CB 4.45Å; I285-H313 HydrophobicContact CG1-CB 3.94Å; I286-H313 PolarHBondContact N-O 3.04Å; H313-L315 HydrophobicContact CB-CD1 3.93Å; H313-L315 PolarHBondContact O-N 3.07Å; H313-T337 PolarHBondContact ND1-OG1 3.2Å
314	G	97.5	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	84.3	171.3	0	0	0	0	0	112.5
315	L	96.3	Very high	96.6	Very high	32 Å²	32	31.8 Å²	31.8	17%	0.168	16%	0.163	C	C	.	.			trans	-74.9	-44	173.1	-89.9	66.6	0	0	0	110.8	Y125 I285 I286 D287 H313 S317 V338	Y125-L315 HydrophobicContact CD1-CD1 4.06Å; Y125-L315 HydrophobicContact CD2-CD1 4.17Å; Y125-L315 HydrophobicContact CE1-CD1 3.81Å; Y125-L315 HydrophobicContact CE1-CD2 3.93Å; Y125-L315 HydrophobicContact CE1-CG 4.21Å; Y125-L315 HydrophobicContact CE2-CD1 3.93Å; Y125-L315 HydrophobicContact CG-CD1 4.23Å; Y125-L315 WeakPolarHBondContact OH-CD2 3.45Å; I285-L315 HydrophobicContact CG2-CD1 4.1Å; I285-L315 HydrophobicContact CG2-CD2 4.48Å; I286-L315 WeakPolarHBondContact O-CA 3.37Å; I286-L315 WeakPolarHBondContact O-CB 3.41Å; I286-L315 PolarHBondContact O-N 3.29Å; D287-L315 HydrophobicContact CB-CB 3.94Å; D287-L315 HydrophobicContact CB-CD2 4.2Å; H313-L315 HydrophobicContact CB-CD1 3.93Å; H313-L315 PolarHBondContact O-N 3.07Å; L315-S317 PolarHBondContact O-N 3.48Å; L315-V338 HydrophobicContact CD1-CG2 3.87Å
316	L	95.4	Very high	96.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.174	C	C	.	.			trans	47.2	59.2	170.9	-60.9	162.2	0	0	0	111.4	I286 A320 I324 H340 Q343 I350	I286-L316 HydrophobicContact CD1-CD2 3.89Å; I286-L316 HydrophobicContact CG1-CD2 3.99Å; I286-L316 HydrophobicContact CG2-CD2 3.94Å; I286-L316 HydrophobicContact CG2-CG 4.23Å; I286-L316 PolarHBondContact O-N 3.47Å; L316-A320 HydrophobicContact CB-CB 4.36Å; L316-A320 HydrophobicContact CD2-CB 4.46Å; L316-I324 HydrophobicContact CD2-CD1 3.64Å; L316-H340 HydrophobicContact CD1-CB 4.2Å; L316-Q343 HydrophobicContact CB-CB 4.34Å; L316-Q343 HydrophobicContact CB-CG 3.89Å; L316-Q343 HydrophobicContact CD1-CB 4.21Å; L316-Q343 PolarHBondContact O-NE2 3.31Å; L316-I350 HydrophobicContact CD1-CD1 3.96Å; L316-I350 HydrophobicContact CD1-CG2 4.35Å
317	S	90.2	Very high	96.6	Very high	51 Å²	51	30.7 Å²	30.7	36%	0.357	16%	0.163	S	C	.	.			trans	-82.6	162.4	-172.3	66.3	0	0	0	0	111.9	D287 L315 D319 A320	D287-S317 PolarHBondContact O-N 3.42Å; D287-S317 VanDerWaalsContact O-N 3.14Å; D287-S317 VanDerWaalsContact OD1-CB 3.24Å; D287-S317 WeakPolarHBondContact OD1-CB 3.46Å; D287-S317 PolarHBondContact OD1-OG 3.13Å; L315-S317 PolarHBondContact O-N 3.48Å; S317-D319 PolarHBondContact O-N 3.3Å; S317-A320 WeakPolarHBondContact O-CB 3.4Å; S317-A320 PolarHBondContact O-N 2.91Å; S317-A320 VanDerWaalsContact O-N 3.1Å
318	A	91.1	Very high	96.5	Very high	71 Å²	71	32 Å²	32	59%	0.587	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	-124.8	179.2	0	0	0	0	0	113.1	A320	A318-A320 VanDerWaalsContact C-N 3.29Å; A318-A320 PolarHBondContact O-N 2.79Å
319	D	92.7	Very high	96.5	Very high	89 Å²	89	31.5 Å²	31.5	48%	0.476	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	9.8	-175.8	-78.4	7.7	0	0	0	113.4	S317 P321 R322 L323	S317-D319 PolarHBondContact O-N 3.3Å; D319-P321 VanDerWaalsContact C-CD 3.44Å; D319-P321 VanDerWaalsContact C-N 3.34Å; D319-R322 WeakPolarHBondContact O-CB 3.38Å; D319-R322 PolarHBondContact O-N 2.81Å; D319-R322 IonicContact OD2-CZ 2.83Å; D319-R322 IonicContact OD2-NE 3.08Å; D319-R322 IonicContact OD2-NH2 3.01Å; D319-R322 PolarHBondContact OD2-NH2 3.29Å; D319-L323 HydrophobicContact CB-CD1 4.41Å; D319-L323 HydrophobicContact CB-CG 4.4Å; D319-L323 PolarHBondContact O-N 3.26Å
320	A	95.8	Very high	96.5	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-50.7	-44.2	-173.9	0	0	0	0	0	114.2	V289 L316 S317 A318 R322 L323 I324	V289-A320 HydrophobicContact CB-CB 4.1Å; V289-A320 HydrophobicContact CG1-CB 3.93Å; L316-A320 HydrophobicContact CB-CB 4.36Å; L316-A320 HydrophobicContact CD2-CB 4.46Å; S317-A320 WeakPolarHBondContact O-CB 3.4Å; S317-A320 PolarHBondContact O-N 2.91Å; S317-A320 VanDerWaalsContact O-N 3.1Å; A318-A320 VanDerWaalsContact C-N 3.29Å; A318-A320 PolarHBondContact O-N 2.79Å; A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.25Å; A320-L323 PolarHBondContact O-N 3.47Å; A320-I324 WeakPolarHBondContact O-CD1 3.32Å; A320-I324 VanDerWaalsContact O-CG1 3.24Å; A320-I324 WeakPolarHBondContact O-CG1 3.44Å; A320-I324 PolarHBondContact O-N 2.95Å
321	P	96.7	Very high	96.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-40.4	179	-23.9	36.5	0	0	0	113.1	D319 I324 E325 Q343 Q346 C347 I350	D319-P321 VanDerWaalsContact C-CD 3.44Å; D319-P321 VanDerWaalsContact C-N 3.34Å; P321-I324 PolarHBondContact O-N 3.03Å; P321-E325 PolarHBondContact O-N 3.21Å; P321-Q343 HydrophobicContact CB-CB 4.46Å; P321-Q343 HydrophobicContact CG-CB 3.59Å; P321-Q343 HydrophobicContact CG-CG 3.59Å; P321-Q346 HydrophobicContact CB-CB 3.84Å; P321-C347 HydrophobicContact CB-CB 3.84Å; P321-C347 WeakPolarHBondContact O-CB 3Å; P321-I350 HydrophobicContact CB-CD1 4.44Å
322	R	97	Very high	96.5	Very high	111 Å²	111	36.5 Å²	36.5	42%	0.419	20%	0.196	S	C	.	.	H	α-helix	trans	-65.5	-46	178.3	-176.4	-177.5	65.4	74.4	1.6	110.9	D319 A320 I324 E325 E326	D319-R322 WeakPolarHBondContact O-CB 3.38Å; D319-R322 PolarHBondContact O-N 2.81Å; D319-R322 IonicContact OD2-CZ 2.83Å; D319-R322 IonicContact OD2-NE 3.08Å; D319-R322 IonicContact OD2-NH2 3.01Å; D319-R322 PolarHBondContact OD2-NH2 3.29Å; A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.25Å; R322-I324 VanDerWaalsContact C-N 3.34Å; R322-I324 PolarHBondContact O-N 2.96Å; R322-E325 PolarHBondContact O-N 3.06Å; R322-E326 WeakPolarHBondContact CG-OE1 3.4Å; R322-E326 IonicContact CZ-OE1 2.96Å; R322-E326 IonicContact NH1-OE1 3.83Å; R322-E326 PolarHBondContact NH1-OE1 3.47Å; R322-E326 IonicContact NH1-OE2 3.64Å; R322-E326 PolarHBondContact NH1-OE2 2.95Å; R322-E326 WeakPolarHBondContact O-CG 3.48Å; R322-E326 PolarHBondContact O-N 3.27Å
323	L	97.3	Very high	96.6	Very high	46 Å²	46	36.4 Å²	36.4	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-37.8	178.7	-66.6	174.8	0	0	0	112.2	V289 D319 A320 S327	V289-L323 HydrophobicContact CG1-CB 3.55Å; V289-L323 HydrophobicContact CG1-CD1 3.77Å; V289-L323 HydrophobicContact CG1-CG 4.31Å; D319-L323 HydrophobicContact CB-CD1 4.41Å; D319-L323 HydrophobicContact CB-CG 4.4Å; D319-L323 PolarHBondContact O-N 3.26Å; A320-L323 PolarHBondContact O-N 3.47Å; L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 3.47Å; L323-S327 PolarHBondContact O-OG 3.34Å
324	I	97.9	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-45.5	173.5	-69.5	160.6	0	0	0	110.6	I286 V289 L316 A320 P321 R322 E326 S327 V332 K349	I286-I324 HydrophobicContact CD1-CD1 4.2Å; V289-I324 HydrophobicContact CB-CG1 4.46Å; V289-I324 HydrophobicContact CG1-CG1 4.44Å; V289-I324 HydrophobicContact CG2-CD1 4.01Å; V289-I324 HydrophobicContact CG2-CG1 3.58Å; L316-I324 HydrophobicContact CD2-CD1 3.64Å; A320-I324 WeakPolarHBondContact O-CD1 3.32Å; A320-I324 VanDerWaalsContact O-CG1 3.24Å; A320-I324 WeakPolarHBondContact O-CG1 3.44Å; A320-I324 PolarHBondContact O-N 2.95Å; P321-I324 PolarHBondContact O-N 3.03Å; R322-I324 VanDerWaalsContact C-N 3.34Å; R322-I324 PolarHBondContact O-N 2.96Å; I324-E326 PolarHBondContact O-N 2.89Å; I324-S327 PolarHBondContact O-N 3.01Å; I324-S327 PolarHBondContact O-OG 3.46Å; I324-V332 HydrophobicContact CD1-CG2 4.1Å; I324-V332 HydrophobicContact CG1-CG2 4.25Å; I324-V332 HydrophobicContact CG2-CG2 3.56Å; I324-K349 HydrophobicContact CG2-CB 4.27Å; I324-K349 HydrophobicContact CG2-CD 4.16Å; I324-K349 PolarHBondContact O-NZ 3.22Å
325	E	97.2	Very high	96.6	Very high	79 Å²	79	36.3 Å²	36.3	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-44.5	-179.3	-168.4	63.3	-164.8	0	0	111.8	P321 R322 S327 C347 P348 K349	P321-E325 PolarHBondContact O-N 3.21Å; R322-E325 PolarHBondContact O-N 3.06Å; E325-S327 VanDerWaalsContact C-N 3.32Å; E325-S327 PolarHBondContact O-N 2.77Å; E325-C347 PolarHBondContact OE2-SG 3.21Å; E325-P348 WeakPolarHBondContact OE2-CD 3.31Å; E325-K349 PolarHBondContact O-NZ 3.49Å
326	E	97.1	Very high	96.7	Very high	130 Å²	130	35.6 Å²	35.6	61%	0.607	19%	0.191	S	C	*	.	H	α-helix	trans	-73.4	-19.5	179.8	-68.5	170.1	-165.8	0	0	113.6	R322 I324	R322-E326 WeakPolarHBondContact CG-OE1 3.4Å; R322-E326 IonicContact CZ-OE1 2.96Å; R322-E326 IonicContact NH1-OE1 3.83Å; R322-E326 PolarHBondContact NH1-OE1 3.47Å; R322-E326 IonicContact NH1-OE2 3.64Å; R322-E326 PolarHBondContact NH1-OE2 2.95Å; R322-E326 WeakPolarHBondContact O-CG 3.48Å; R322-E326 PolarHBondContact O-N 3.27Å; I324-E326 PolarHBondContact O-N 2.89Å
327	S	97.6	Very high	96.8	Very high	14 Å²	14	35.5 Å²	35.5	10%	0.098	19%	0.191	C	C	.	.	S	Bend	trans	-81.3	169.5	-176.9	74.3	0	0	0	0	115	L323 I324 E325 I329 K349	L323-S327 VanDerWaalsContact O-CB 3.25Å; L323-S327 WeakPolarHBondContact O-CB 3.43Å; L323-S327 PolarHBondContact O-N 3.47Å; L323-S327 PolarHBondContact O-OG 3.34Å; I324-S327 PolarHBondContact O-N 3.01Å; I324-S327 PolarHBondContact O-OG 3.46Å; E325-S327 VanDerWaalsContact C-N 3.32Å; E325-S327 PolarHBondContact O-N 2.77Å; S327-I329 PolarHBondContact O-N 3.1Å; S327-I329 WeakPolarHBondContact OG-CB 3.24Å; S327-I329 WeakPolarHBondContact OG-CG1 3.43Å; S327-I329 PolarHBondContact OG-N 3.29Å; S327-K349 PolarHBondContact O-NZ 3.45Å
328	S	97.2	Very high	97.1	Very high	28 Å²	28	33.3 Å²	33.3	20%	0.196	18%	0.176	C	C	.	.	S	Bend	trans	-71.7	0.2	171.2	60.8	0	0	0	0	115.6	A296 E297 D330	A296-S328 WeakPolarHBondContact CB-OG 3.41Å; E297-S328 VanDerWaalsContact CD-OG 3.27Å; E297-S328 WeakPolarHBondContact OE1-CB 3.43Å; E297-S328 PolarHBondContact OE1-N 3.17Å; E297-S328 PolarHBondContact OE1-OG 3.39Å; S328-D330 PolarHBondContact O-N 2.61Å
329	I	98.4	Very high	97.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.158	C	C	.	.			trans	-67.5	128.9	174.3	-59.7	167.4	0	0	0	109	F292 V293 A296 I307 V309 S327 V332 K349	F292-I329 HydrophobicContact CB-CD1 4.43Å; V293-I329 HydrophobicContact CG2-CD1 4.46Å; A296-I329 HydrophobicContact CB-CD1 4.29Å; A296-I329 HydrophobicContact CB-CG1 3.51Å; I307-I329 HydrophobicContact CG2-CG1 4.43Å; V309-I329 HydrophobicContact CG2-CD1 4.03Å; V309-I329 HydrophobicContact CG2-CG1 4.34Å; V309-I329 HydrophobicContact CG2-CG2 3.94Å; S327-I329 PolarHBondContact O-N 3.1Å; S327-I329 WeakPolarHBondContact OG-CB 3.24Å; S327-I329 WeakPolarHBondContact OG-CG1 3.43Å; S327-I329 PolarHBondContact OG-N 3.29Å; I329-V332 HydrophobicContact CG2-CG2 3.75Å; I329-K349 VanDerWaalsContact O-CD 3.31Å; I329-K349 WeakPolarHBondContact O-CD 3.21Å; I329-K349 WeakPolarHBondContact O-CE 3.24Å; I329-K349 PolarHBondContact O-NZ 3.14Å
330	D	98.4	Very high	97.4	Very high	66 Å²	66	27.4 Å²	27.4	35%	0.353	14%	0.136	S	C	.	.			trans	-82.9	-41.3	179.1	-66.1	-85.2	0	0	0	111.7	K306 I307 S328	K306-D330 WeakPolarHBondContact CA-OD2 3.18Å; I307-D330 PolarHBondContact N-OD2 2.68Å; I307-D330 WeakPolarHBondContact O-CB 3.14Å; I307-D330 PolarHBondContact O-N 2.72Å; S328-D330 PolarHBondContact O-N 2.61Å
331	E	98.6	Very high	97.2	Very high	39 Å²	39	31.7 Å²	31.7	18%	0.182	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139.3	-176.6	-167	171.3	104.8	0	0	111.9	Y187 F308 V309 V333 K349 K351	Y187-E331 WeakPolarHBondContact CE1-OE1 3.36Å; Y187-E331 PolarHBondContact OH-OE1 3.05Å; F308-E331 CarbonylContact C-O 3.59Å; F308-E331 WeakPolarHBondContact CA-O 3.5Å; F308-E331 HydrophobicContact CD1-CB 3.66Å; F308-E331 HydrophobicContact CD1-CG 4.42Å; F308-E331 HydrophobicContact CE1-CB 3.77Å; F308-E331 HydrophobicContact CE1-CG 4.5Å; V309-E331 PolarHBondContact N-O 3.01Å; E331-V333 HydrophobicContact CG-CG2 4.12Å; E331-V333 WeakPolarHBondContact OE1-CG2 3.29Å; E331-K349 WeakPolarHBondContact CG-O 3.45Å; E331-K351 HydrophobicContact CG-CG 3.74Å
332	V	98.6	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.5	174.8	177.7	0	0	0	0	108.5	I286 V309 I324 I329 V334 K349 I350 K351	I286-V332 HydrophobicContact CD1-CG1 3.88Å; V309-V332 HydrophobicContact CB-CG1 4.45Å; V309-V332 HydrophobicContact CB-CG2 4.19Å; V309-V332 HydrophobicContact CG2-CG2 4.48Å; V309-V332 CarbonylContact O-C 3.57Å; V309-V332 WeakPolarHBondContact O-CA 3.46Å; I324-V332 HydrophobicContact CD1-CG2 4.1Å; I324-V332 HydrophobicContact CG1-CG2 4.25Å; I324-V332 HydrophobicContact CG2-CG2 3.56Å; I329-V332 HydrophobicContact CG2-CG2 3.75Å; V332-V334 HydrophobicContact CG1-CG1 4.15Å; V332-K349 PolarHBondContact N-O 3.33Å; V332-I350 HydrophobicContact CB-CG1 4.42Å; V332-I350 CarbonylContact O-C 3.57Å; V332-I350 VanDerWaalsContact O-CA 3.32Å; V332-I350 WeakPolarHBondContact O-CA 3.17Å; V332-K351 PolarHBondContact O-N 3.09Å
333	V	98.6	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.9	-177.7	-173.2	0	0	0	0	108.9	L184 Y187 V309 M310 A311 E331 K351 V353	L184-V333 HydrophobicContact CD2-CG1 4.11Å; Y187-V333 HydrophobicContact CD1-CG1 3.94Å; Y187-V333 HydrophobicContact CD1-CG2 3.97Å; Y187-V333 HydrophobicContact CD2-CG1 4.26Å; Y187-V333 HydrophobicContact CE1-CB 4.32Å; Y187-V333 HydrophobicContact CE1-CG1 3.99Å; Y187-V333 HydrophobicContact CE1-CG2 3.39Å; Y187-V333 HydrophobicContact CE2-CG1 4.28Å; Y187-V333 HydrophobicContact CG-CG1 4.08Å; V309-V333 PolarHBondContact O-N 3.03Å; M310-V333 WeakPolarHBondContact CA-O 3.48Å; M310-V333 HydrophobicContact CE-CB 4.03Å; M310-V333 HydrophobicContact CE-CG2 3.6Å; M310-V333 HydrophobicContact SD-CB 3.53Å; M310-V333 VanDerWaalsContact SD-CB 3.53Å; M310-V333 HydrophobicContact SD-CG1 3.98Å; M310-V333 HydrophobicContact SD-CG2 3.83Å; A311-V333 PolarHBondContact N-O 3.46Å; E331-V333 HydrophobicContact CG-CG2 4.12Å; E331-V333 WeakPolarHBondContact OE1-CG2 3.29Å; V333-K351 WeakPolarHBondContact CA-O 3.3Å; V333-K351 HydrophobicContact CG2-CB 4.35Å; V333-V353 HydrophobicContact CG1-CG2 3.65Å
334	V	98.5	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161.5	178.5	-66.2	0	0	0	0	111.4	I286 A311 V332 I350 K351 T352 V353	I286-V334 HydrophobicContact CG2-CG1 3.52Å; A311-V334 HydrophobicContact CB-CG1 4.33Å; A311-V334 VanDerWaalsContact O-CA 3.27Å; A311-V334 WeakPolarHBondContact O-CA 3.2Å; V332-V334 HydrophobicContact CG1-CG1 4.15Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; V334-K351 PolarHBondContact N-O 2.84Å; V334-T352 CarbonylContact O-C 3.59Å; V334-T352 VanDerWaalsContact O-CA 3.24Å; V334-T352 WeakPolarHBondContact O-CA 3.39Å; V334-V353 PolarHBondContact O-N 3.29Å
335	T	98.5	Very high	96.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	163.1	171.8	79.2	0	0	0	0	111.9	M160 A180 L184 T312 T337 H340 V353 I355	M160-T335 HydrophobicContact CE-CG2 4.5Å; A180-T335 HydrophobicContact CB-CG2 3.79Å; L184-T335 HydrophobicContact CD2-CG2 4.29Å; T312-T335 HydrophobicContact CG2-CG2 4.26Å; T312-T335 WeakPolarHBondContact O-CB 3.43Å; T312-T335 PolarHBondContact O-N 3.28Å; T312-T335 VanDerWaalsContact O-N 3.14Å; T312-T335 PolarHBondContact O-OG1 3.42Å; T335-T337 PolarHBondContact O-N 2.88Å; T335-T337 VanDerWaalsContact O-N 3.11Å; T335-T337 WeakPolarHBondContact OG1-CG2 3.17Å; T335-T337 PolarHBondContact OG1-N 3.32Å; T335-T337 PolarHBondContact OG1-OG1 2.85Å; T335-H340 PolarHBondContact O-CE1 3.08Å; T335-H340 VanDerWaalsContact O-CE1 3.27Å; T335-V353 VanDerWaalsContact CA-O 3.27Å; T335-V353 WeakPolarHBondContact CA-O 3.47Å; T335-I355 HydrophobicContact CG2-CG2 3.79Å
336	N	97.4	Very high	96.6	Very high	16 Å²	16	43 Å²	43	9%	0.086	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-77.3	26	172.4	64.3	-17	0	0	0	114.6	V338 T352 V353 D354 I355	N336-V338 PolarHBondContact O-N 2.82Å; N336-T352 HydrophobicContact CB-CG2 3.82Å; N336-V353 PolarHBondContact N-O 2.85Å; N336-V353 VanDerWaalsContact N-O 3.11Å; N336-V353 PolarHBondContact OD1-O 3.45Å; N336-D354 PolarHBondContact ND2-OD1 2.88Å; N336-D354 WeakPolarHBondContact OD1-CA 3.4Å; N336-I355 VanDerWaalsContact OD1-CD1 3.28Å; N336-I355 WeakPolarHBondContact OD1-CD1 3.25Å; N336-I355 WeakPolarHBondContact OD1-CG1 3.36Å; N336-I355 PolarHBondContact OD1-N 3.37Å
337	T	97.8	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.7	171.7	49.5	0	0	0	0	114	P124 M160 T312 H313 T335 I355	P124-T337 HydrophobicContact CB-CG2 3.79Å; M160-T337 HydrophobicContact CE-CG2 3.04Å; T312-T337 HydrophobicContact CG2-CG2 4.22Å; T312-T337 PolarHBondContact O-OG1 3.4Å; H313-T337 PolarHBondContact ND1-OG1 3.2Å; T335-T337 PolarHBondContact O-N 2.88Å; T335-T337 VanDerWaalsContact O-N 3.11Å; T335-T337 WeakPolarHBondContact OG1-CG2 3.17Å; T335-T337 PolarHBondContact OG1-N 3.32Å; T335-T337 PolarHBondContact OG1-OG1 2.85Å; T337-I355 HydrophobicContact CG2-CD1 4.25Å; T337-I355 HydrophobicContact CG2-CG1 4.15Å
338	V	96.5	Very high	96.5	Very high	6 Å²	6	40 Å²	40	4%	0.036	21%	0.212	C	C	.	.	S	Bend	trans	-126.7	133.1	179.7	175.7	0	0	0	0	107.1	I93 Y125 L315 N336 H340	I93-V338 WeakPolarHBondContact O-CG1 3.43Å; Y125-V338 VanDerWaalsContact CB-CG2 3.47Å; Y125-V338 HydrophobicContact CD1-CG2 3.77Å; Y125-V338 HydrophobicContact CG-CG2 3.72Å; L315-V338 HydrophobicContact CD1-CG2 3.87Å; N336-V338 PolarHBondContact O-N 2.82Å; V338-H340 PolarHBondContact O-N 3.37Å; V338-H340 PolarHBondContact O-ND1 3.49Å
339	P	95.1	Very high	96.6	Very high	34 Å²	34	40.7 Å²	40.7	22%	0.221	21%	0.212	C	C	.	.			trans	-66.4	125.9	178	-18.8	31.8	0	0	0	111	C46	C46-P339 HydrophobicContact CB-CG 4.19Å
340	H	95	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.212	C	C	.	.			trans	-140.7	29.1	-176.6	55.1	-94.4	0	0	0	113.6	L316 T335 V338 V342 Q343 K344 T352	L316-H340 HydrophobicContact CD1-CB 4.2Å; T335-H340 PolarHBondContact O-CE1 3.08Å; T335-H340 VanDerWaalsContact O-CE1 3.27Å; V338-H340 PolarHBondContact O-N 3.37Å; V338-H340 PolarHBondContact O-ND1 3.49Å; H340-V342 VanDerWaalsContact C-N 3.3Å; H340-V342 PolarHBondContact O-N 3.38Å; H340-Q343 VanDerWaalsContact C-OE1 3.29Å; H340-Q343 HydrophobicContact CB-CB 4.32Å; H340-Q343 PolarHBondContact O-N 2.97Å; H340-Q343 PolarHBondContact O-OE1 3.14Å; H340-K344 WeakPolarHBondContact O-CB 3.29Å; H340-K344 PolarHBondContact O-N 2.74Å; H340-T352 VanDerWaalsContact NE2-CG2 3.34Å; H340-T352 WeakPolarHBondContact NE2-CG2 3.39Å; H340-T352 PolarHBondContact NE2-OG1 2.99Å
341	E	92	Very high	96.6	Very high	93 Å²	93	41.4 Å²	41.4	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-35.8	-177.1	-60.2	-56.8	151.8	0	0	112.6	K344 L345	E341-K344 PolarHBondContact O-N 2.99Å; E341-L345 WeakPolarHBondContact O-CG 3.46Å; E341-L345 PolarHBondContact O-N 3.42Å
342	V	93.4	Very high	96.5	Very high	92 Å²	92	41.4 Å²	41.4	56%	0.558	21%	0.214	S	C	*	.	H	α-helix	trans	-66.3	-44.5	177.1	178.1	0	0	0	0	110.7	H340 K344 L345 Q346	H340-V342 VanDerWaalsContact C-N 3.3Å; H340-V342 PolarHBondContact O-N 3.38Å; V342-K344 VanDerWaalsContact C-N 3.32Å; V342-K344 PolarHBondContact O-N 2.91Å; V342-L345 WeakPolarHBondContact O-CB 3.12Å; V342-L345 PolarHBondContact O-N 3.42Å; V342-Q346 WeakPolarHBondContact O-CG 3.09Å; V342-Q346 PolarHBondContact O-N 2.59Å; V342-Q346 VanDerWaalsContact O-N 3.15Å
343	Q	94.6	Very high	96.5	Very high	38 Å²	38	42.2 Å²	42.2	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-40.6	178.2	-66.6	92.1	-32.8	0	0	111.3	L316 P321 H340 L345 Q346 C347 I350	L316-Q343 HydrophobicContact CB-CB 4.34Å; L316-Q343 HydrophobicContact CB-CG 3.89Å; L316-Q343 HydrophobicContact CD1-CB 4.21Å; L316-Q343 PolarHBondContact O-NE2 3.31Å; P321-Q343 HydrophobicContact CB-CB 4.46Å; P321-Q343 HydrophobicContact CG-CB 3.59Å; P321-Q343 HydrophobicContact CG-CG 3.59Å; H340-Q343 VanDerWaalsContact C-OE1 3.29Å; H340-Q343 HydrophobicContact CB-CB 4.32Å; H340-Q343 PolarHBondContact O-N 2.97Å; H340-Q343 PolarHBondContact O-OE1 3.14Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; Q343-L345 PolarHBondContact O-N 3.36Å; Q343-Q346 WeakPolarHBondContact O-CB 3.49Å; Q343-Q346 PolarHBondContact O-N 3.2Å; Q343-Q346 VanDerWaalsContact O-N 3.13Å; Q343-C347 PolarHBondContact O-N 2.91Å; Q343-I350 HydrophobicContact CB-CD1 4.21Å
344	K	94.2	Very high	96.4	Very high	75 Å²	75	44.3 Å²	44.3	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-34.2	176.8	-171.8	175.5	-176.2	172.6	0	113.2	H340 E341 V342 Q346 C347 T352	H340-K344 WeakPolarHBondContact O-CB 3.29Å; H340-K344 PolarHBondContact O-N 2.74Å; E341-K344 PolarHBondContact O-N 2.99Å; V342-K344 VanDerWaalsContact C-N 3.32Å; V342-K344 PolarHBondContact O-N 2.91Å; K344-Q346 VanDerWaalsContact C-N 3.3Å; K344-C347 CarbonylContact O-C 3.54Å; K344-T352 PolarHBondContact NZ-OG1 2.89Å; K344-T352 VanDerWaalsContact NZ-OG1 3.09Å
345	L	94.8	Very high	96.4	Very high	154 Å²	154	44.3 Å²	44.3	81%	0.806	23%	0.231	S	C	*	.	H	α-helix	trans	-67.1	-32.6	171.9	-73.5	169.3	0	0	0	112.1	E341 V342 Q343	E341-L345 WeakPolarHBondContact O-CG 3.46Å; E341-L345 PolarHBondContact O-N 3.42Å; V342-L345 WeakPolarHBondContact O-CB 3.12Å; V342-L345 PolarHBondContact O-N 3.42Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; Q343-L345 PolarHBondContact O-N 3.36Å
346	Q	95.9	Very high	96.3	Very high	116 Å²	116	44.3 Å²	44.3	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-78.5	-29.9	178.4	-69	171.8	-4.5	0	0	113.1	P321 V342 Q343 K344	P321-Q346 HydrophobicContact CB-CB 3.84Å; V342-Q346 WeakPolarHBondContact O-CG 3.09Å; V342-Q346 PolarHBondContact O-N 2.59Å; V342-Q346 VanDerWaalsContact O-N 3.15Å; Q343-Q346 WeakPolarHBondContact O-CB 3.49Å; Q343-Q346 PolarHBondContact O-N 3.2Å; Q343-Q346 VanDerWaalsContact O-N 3.13Å; K344-Q346 VanDerWaalsContact C-N 3.3Å
347	C	96.9	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.			trans	-136.6	104.9	-176.9	179.2	0	0	0	0	111.5	P321 E325 Q343 K344 K349 I350	P321-C347 HydrophobicContact CB-CB 3.84Å; P321-C347 WeakPolarHBondContact O-CB 3Å; E325-C347 PolarHBondContact OE2-SG 3.21Å; Q343-C347 PolarHBondContact O-N 2.91Å; K344-C347 CarbonylContact O-C 3.54Å; C347-K349 PolarHBondContact O-N 2.89Å; C347-I350 HydrophobicContact CB-CD1 3.78Å; C347-I350 HydrophobicContact CB-CG1 4.13Å; C347-I350 PolarHBondContact O-N 3.07Å; C347-I350 VanDerWaalsContact O-N 3.12Å
348	P	96.9	Very high	96	Very high	82 Å²	82	48.2 Å²	48.2	53%	0.532	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.7	-178.6	28.2	-36.5	0	0	0	114.3	E325 I350 K351	E325-P348 WeakPolarHBondContact OE2-CD 3.31Å; P348-I350 PolarHBondContact O-N 3.41Å; P348-K351 PolarHBondContact O-NZ 2.88Å; P348-K351 VanDerWaalsContact O-NZ 3.1Å
349	K	98.1	Very high	96.1	Very high	41 Å²	41	47.9 Å²	47.9	18%	0.178	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.1	171.7	-59.3	178.8	179.6	-178	0	112.5	I324 E325 S327 I329 E331 V332 C347 K351	I324-K349 HydrophobicContact CG2-CB 4.27Å; I324-K349 HydrophobicContact CG2-CD 4.16Å; I324-K349 PolarHBondContact O-NZ 3.22Å; E325-K349 PolarHBondContact O-NZ 3.49Å; S327-K349 PolarHBondContact O-NZ 3.45Å; I329-K349 VanDerWaalsContact O-CD 3.31Å; I329-K349 WeakPolarHBondContact O-CD 3.21Å; I329-K349 WeakPolarHBondContact O-CE 3.24Å; I329-K349 PolarHBondContact O-NZ 3.14Å; E331-K349 WeakPolarHBondContact CG-O 3.45Å; V332-K349 PolarHBondContact N-O 3.33Å; C347-K349 PolarHBondContact O-N 2.89Å; K349-K351 PolarHBondContact O-N 2.89Å
350	I	98.4	Very high	96.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.3	178.1	-59.5	167.1	0	0	0	110.2	L316 P321 V332 V334 Q343 C347 P348	L316-I350 HydrophobicContact CD1-CD1 3.96Å; L316-I350 HydrophobicContact CD1-CG2 4.35Å; P321-I350 HydrophobicContact CB-CD1 4.44Å; V332-I350 HydrophobicContact CB-CG1 4.42Å; V332-I350 CarbonylContact O-C 3.57Å; V332-I350 VanDerWaalsContact O-CA 3.32Å; V332-I350 WeakPolarHBondContact O-CA 3.17Å; V334-I350 HydrophobicContact CG2-CG2 4.11Å; Q343-I350 HydrophobicContact CB-CD1 4.21Å; C347-I350 HydrophobicContact CB-CD1 3.78Å; C347-I350 HydrophobicContact CB-CG1 4.13Å; C347-I350 PolarHBondContact O-N 3.07Å; C347-I350 VanDerWaalsContact O-N 3.12Å; P348-I350 PolarHBondContact O-N 3.41Å
351	K	98.3	Very high	96.2	Very high	81 Å²	81	48.9 Å²	48.9	35%	0.352	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.9	173	-56.5	-57.2	-177.1	-156.4	0	110.2	Y187 E331 V332 V333 V334 P348 K349	Y187-K351 WeakPolarHBondContact OH-CG 3.43Å; E331-K351 HydrophobicContact CG-CG 3.74Å; V332-K351 PolarHBondContact O-N 3.09Å; V333-K351 WeakPolarHBondContact CA-O 3.3Å; V333-K351 HydrophobicContact CG2-CB 4.35Å; V334-K351 PolarHBondContact N-O 2.84Å; P348-K351 PolarHBondContact O-NZ 2.88Å; P348-K351 VanDerWaalsContact O-NZ 3.1Å; K349-K351 PolarHBondContact O-N 2.89Å
352	T	98.1	Very high	96.4	Very high	39 Å²	39	44.4 Å²	44.4	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.3	-174.6	-43.3	0	0	0	0	110.3	V334 N336 H340 K344	V334-T352 CarbonylContact O-C 3.59Å; V334-T352 VanDerWaalsContact O-CA 3.24Å; V334-T352 WeakPolarHBondContact O-CA 3.39Å; N336-T352 HydrophobicContact CB-CG2 3.82Å; H340-T352 VanDerWaalsContact NE2-CG2 3.34Å; H340-T352 WeakPolarHBondContact NE2-CG2 3.39Å; H340-T352 PolarHBondContact NE2-OG1 2.99Å; K344-T352 PolarHBondContact NZ-OG1 2.89Å; K344-T352 VanDerWaalsContact NZ-OG1 3.09Å
353	V	98	Very high	96.5	Very high	17 Å²	17	40 Å²	40	10%	0.103	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.9	171.3	178.9	0	0	0	0	109.6	F183 L184 Y187 V333 V334 T335 N336	F183-V353 HydrophobicContact CB-CG1 3.81Å; L184-V353 HydrophobicContact CD2-CB 4.5Å; L184-V353 HydrophobicContact CD2-CG2 4.19Å; Y187-V353 HydrophobicContact CD2-CG2 3.75Å; Y187-V353 HydrophobicContact CE2-CG2 4.39Å; Y187-V353 HydrophobicContact CG-CG2 4.21Å; V333-V353 HydrophobicContact CG1-CG2 3.65Å; V334-V353 PolarHBondContact O-N 3.29Å; T335-V353 VanDerWaalsContact CA-O 3.27Å; T335-V353 WeakPolarHBondContact CA-O 3.47Å; N336-V353 PolarHBondContact N-O 2.85Å; N336-V353 VanDerWaalsContact N-O 3.11Å; N336-V353 PolarHBondContact OD1-O 3.45Å
354	D	97.1	Very high	96.6	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.241	21%	0.207	C	C	.	.			trans	-80.4	122.4	-179.9	178.6	37.8	0	0	0	111.7	R52 R56 N336 S356	R52-D354 IonicContact NH1-OD1 3.94Å; R56-D354 IonicContact CZ-OD2 3.35Å; R56-D354 IonicContact NE-OD2 3.96Å; R56-D354 IonicContact NH2-OD2 3.52Å; R56-D354 PolarHBondContact NH2-OD2 3.22Å; N336-D354 PolarHBondContact ND2-OD1 2.88Å; N336-D354 WeakPolarHBondContact OD1-CA 3.4Å; D354-S356 VanDerWaalsContact OD1-CB 3.3Å; D354-S356 WeakPolarHBondContact OD1-CB 3.43Å; D354-S356 PolarHBondContact OD1-N 3.35Å; D354-S356 VanDerWaalsContact OD1-N 3.09Å; D354-S356 PolarHBondContact OD1-OG 3.46Å; D354-S356 PolarHBondContact OD2-OG 2.93Å
355	I	96.8	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.			trans	-111.1	9.5	178	53.6	61.8	0	0	0	113	L49 M160 F183 T335 N336 T337 L357 I358 L359	L49-I355 HydrophobicContact CD1-CD1 3.9Å; L49-I355 HydrophobicContact CD2-CD1 4.14Å; M160-I355 HydrophobicContact CE-CB 3.94Å; M160-I355 HydrophobicContact CE-CD1 4.25Å; M160-I355 HydrophobicContact CE-CG1 3.58Å; M160-I355 HydrophobicContact CE-CG2 3.95Å; M160-I355 HydrophobicContact SD-CB 4.29Å; M160-I355 HydrophobicContact SD-CG1 4.49Å; M160-I355 HydrophobicContact SD-CG2 4.33Å; F183-I355 HydrophobicContact CG-CG2 4.45Å; T335-I355 HydrophobicContact CG2-CG2 3.79Å; N336-I355 VanDerWaalsContact OD1-CD1 3.28Å; N336-I355 WeakPolarHBondContact OD1-CD1 3.25Å; N336-I355 WeakPolarHBondContact OD1-CG1 3.36Å; N336-I355 PolarHBondContact OD1-N 3.37Å; T337-I355 HydrophobicContact CG2-CD1 4.25Å; T337-I355 HydrophobicContact CG2-CG1 4.15Å; I355-L357 PolarHBondContact O-N 3.13Å; I355-I358 HydrophobicContact CB-CG2 4.04Å; I355-I358 VanDerWaalsContact O-CG2 3.23Å; I355-I358 WeakPolarHBondContact O-CG2 3.18Å; I355-I358 PolarHBondContact O-N 3.35Å; I355-L359 HydrophobicContact CD1-CD1 3.52Å; I355-L359 HydrophobicContact CD1-CG 4.25Å; I355-L359 PolarHBondContact O-N 3.32Å
356	S	96.8	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-28.1	176	59.9	0	0	0	0	112.6	R56 D354 S360	R56-S356 PolarHBondContact NE-OG 3.28Å; D354-S356 VanDerWaalsContact OD1-CB 3.3Å; D354-S356 WeakPolarHBondContact OD1-CB 3.43Å; D354-S356 PolarHBondContact OD1-N 3.35Å; D354-S356 VanDerWaalsContact OD1-N 3.09Å; D354-S356 PolarHBondContact OD1-OG 3.46Å; D354-S356 PolarHBondContact OD2-OG 2.93Å; S356-S360 VanDerWaalsContact O-CB 3.3Å; S356-S360 WeakPolarHBondContact O-CB 3.21Å; S356-S360 PolarHBondContact O-N 3.29Å; S356-S360 PolarHBondContact O-OG 3.44Å
357	L	94.4	Very high	96.5	Very high	88 Å²	88	31 Å²	31	46%	0.461	16%	0.155	S	C	.	.	H	α-helix	trans	-60.3	-54.3	175.6	-174.1	75.8	0	0	0	112	F183 I355 L359 S360 E361	F183-L357 HydrophobicContact CE1-CB 4.45Å; F183-L357 HydrophobicContact CE1-CD2 4.24Å; F183-L357 HydrophobicContact CZ-CB 4.45Å; F183-L357 HydrophobicContact CZ-CD2 4.23Å; I355-L357 PolarHBondContact O-N 3.13Å; L357-L359 VanDerWaalsContact C-N 3.31Å; L357-L359 PolarHBondContact O-N 2.89Å; L357-S360 PolarHBondContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.2Å; L357-E361 PolarHBondContact O-N 2.91Å
358	I	95.8	Very high	96.3	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.046	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-36.4	-177	-166.7	178.3	0	0	0	111.5	M160 L178 R179 F183 I355 E361 A362 L375	M160-I358 HydrophobicContact SD-CG2 4.16Å; L178-I358 HydrophobicContact CB-CD1 4.16Å; L178-I358 HydrophobicContact CD1-CG1 4.26Å; R179-I358 WeakPolarHBondContact O-CD1 3.33Å; F183-I358 HydrophobicContact CE2-CB 3.79Å; F183-I358 HydrophobicContact CE2-CD1 4.14Å; F183-I358 HydrophobicContact CE2-CG1 4.4Å; F183-I358 HydrophobicContact CE2-CG2 4.08Å; F183-I358 HydrophobicContact CZ-CB 3.92Å; F183-I358 HydrophobicContact CZ-CG2 4.35Å; I355-I358 HydrophobicContact CB-CG2 4.04Å; I355-I358 VanDerWaalsContact O-CG2 3.23Å; I355-I358 WeakPolarHBondContact O-CG2 3.18Å; I355-I358 PolarHBondContact O-N 3.35Å; I358-E361 PolarHBondContact O-N 3.37Å; I358-A362 WeakPolarHBondContact O-CB 3.36Å; I358-A362 PolarHBondContact O-N 3.13Å; I358-L375 HydrophobicContact CG1-CD2 4.27Å
359	L	97.1	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-43.6	175.5	-68.6	175.3	0	0	0	112.1	L49 I53 V122 P124 I158 L178 I355 L357 E361 A362 I363	L49-L359 HydrophobicContact CD1-CD1 4.31Å; L49-L359 HydrophobicContact CD2-CD1 3.92Å; L49-L359 HydrophobicContact CG-CD1 4.39Å; I53-L359 HydrophobicContact CD1-CB 3.74Å; I53-L359 HydrophobicContact CD1-CD1 3.72Å; I53-L359 HydrophobicContact CD1-CG 4.39Å; I53-L359 HydrophobicContact CG1-CB 4.09Å; V122-L359 HydrophobicContact CG1-CD2 4.08Å; P124-L359 HydrophobicContact CB-CD1 4.16Å; P124-L359 HydrophobicContact CG-CD1 3.73Å; I158-L359 HydrophobicContact CG2-CD2 4.29Å; L178-L359 HydrophobicContact CD1-CD2 3.87Å; I355-L359 HydrophobicContact CD1-CD1 3.52Å; I355-L359 HydrophobicContact CD1-CG 4.25Å; I355-L359 PolarHBondContact O-N 3.32Å; L357-L359 VanDerWaalsContact C-N 3.31Å; L357-L359 PolarHBondContact O-N 2.89Å; L359-E361 VanDerWaalsContact C-N 3.32Å; L359-E361 PolarHBondContact O-N 2.97Å; L359-A362 PolarHBondContact O-N 2.89Å; L359-I363 WeakPolarHBondContact O-CG1 3.41Å; L359-I363 PolarHBondContact O-N 3.2Å
360	S	96.4	Very high	95.8	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-40.7	176.1	67.1	0	0	0	0	111.9	L57 S356 L357 I363 R364	L57-S360 WeakPolarHBondContact CD2-O 3.39Å; S356-S360 VanDerWaalsContact O-CB 3.3Å; S356-S360 WeakPolarHBondContact O-CB 3.21Å; S356-S360 PolarHBondContact O-N 3.29Å; S356-S360 PolarHBondContact O-OG 3.44Å; L357-S360 PolarHBondContact O-N 3.11Å; L357-S360 PolarHBondContact O-OG 3.2Å; S360-I363 PolarHBondContact O-N 3.15Å; S360-R364 WeakPolarHBondContact O-CB 3.42Å; S360-R364 PolarHBondContact O-N 3.44Å
361	E	95.5	Very high	95.5	Very high	46 Å²	46	39.4 Å²	39.4	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-36.7	178.4	-177.4	60.3	-169	0	0	112.1	L357 I358 L359 R364 R365 L375	L357-E361 PolarHBondContact O-N 2.91Å; I358-E361 PolarHBondContact O-N 3.37Å; L359-E361 VanDerWaalsContact C-N 3.32Å; L359-E361 PolarHBondContact O-N 2.97Å; E361-R364 PolarHBondContact O-N 2.83Å; E361-R364 IonicContact OE1-CZ 3.53Å; E361-R364 IonicContact OE1-NE 2.73Å; E361-R364 IonicContact OE1-NH2 2.84Å; E361-R364 PolarHBondContact OE1-NH2 2.97Å; E361-R364 IonicContact OE2-CZ 3.34Å; E361-R364 IonicContact OE2-NE 2.69Å; E361-R364 PolarHBondContact OE2-NE 3.46Å; E361-R364 IonicContact OE2-NH2 3.69Å; E361-R365 WeakPolarHBondContact O-CB 3.4Å; E361-R365 VanDerWaalsContact O-CG 3.3Å; E361-R365 WeakPolarHBondContact O-CG 3.2Å; E361-R365 PolarHBondContact O-N 3.32Å; E361-R365 IonicContact OE1-CZ 2.78Å; E361-R365 IonicContact OE1-NE 3.71Å; E361-R365 PolarHBondContact OE1-NE 3.34Å; E361-R365 IonicContact OE1-NH2 3.85Å; E361-R365 PolarHBondContact OE1-NH2 3.26Å; E361-L375 HydrophobicContact CB-CD2 4.43Å; E361-L375 HydrophobicContact CG-CD2 3.84Å
362	A	96.6	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-48.3	173	0	0	0	0	0	111.7	I158 L178 I358 L359 R364 R365 I366 M372 L375	I158-A362 HydrophobicContact CD1-CB 4.12Å; I158-A362 HydrophobicContact CG2-CB 4.09Å; L178-A362 HydrophobicContact CD1-CB 3.79Å; L178-A362 HydrophobicContact CD2-CB 4.27Å; I358-A362 WeakPolarHBondContact O-CB 3.36Å; I358-A362 PolarHBondContact O-N 3.13Å; L359-A362 PolarHBondContact O-N 2.89Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.78Å; A362-R365 PolarHBondContact O-N 2.95Å; A362-I366 WeakPolarHBondContact O-CG1 3.47Å; A362-I366 PolarHBondContact O-N 3.43Å; A362-M372 HydrophobicContact CB-CE 3.64Å; A362-M372 HydrophobicContact CB-SD 4.48Å; A362-L375 HydrophobicContact CB-CD1 4.1Å
363	I	96.5	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-47.3	175.9	-69	166.2	0	0	0	110.6	I53 L57 F88 V122 I158 L359 S360 R365 I366 H367	I53-I363 HydrophobicContact CG2-CD1 3.54Å; L57-I363 HydrophobicContact CD1-CB 4.29Å; L57-I363 HydrophobicContact CD1-CD1 4.33Å; L57-I363 HydrophobicContact CD1-CG2 3.75Å; F88-I363 HydrophobicContact CD1-CB 4.34Å; F88-I363 HydrophobicContact CD1-CG1 3.91Å; F88-I363 HydrophobicContact CD1-CG2 3.9Å; F88-I363 HydrophobicContact CD2-CG2 3.96Å; F88-I363 HydrophobicContact CE1-CB 4.25Å; F88-I363 HydrophobicContact CE1-CG1 4.22Å; F88-I363 HydrophobicContact CE1-CG2 3.86Å; F88-I363 HydrophobicContact CE2-CG2 3.92Å; F88-I363 HydrophobicContact CG-CG1 4.46Å; F88-I363 HydrophobicContact CG-CG2 3.96Å; F88-I363 HydrophobicContact CZ-CG2 3.87Å; V122-I363 HydrophobicContact CG2-CD1 4.03Å; V122-I363 HydrophobicContact CG2-CG1 4.04Å; I158-I363 HydrophobicContact CD1-CG1 3.98Å; L359-I363 WeakPolarHBondContact O-CG1 3.41Å; L359-I363 PolarHBondContact O-N 3.2Å; S360-I363 PolarHBondContact O-N 3.15Å; I363-R365 VanDerWaalsContact C-N 3.34Å; I363-R365 PolarHBondContact O-N 2.83Å; I363-I366 PolarHBondContact O-N 3.4Å; I363-H367 WeakPolarHBondContact O-CB 3.48Å; I363-H367 PolarHBondContact O-N 3.27Å
364	R	95.8	Very high	93.3	Very high	60 Å²	60	42.3 Å²	42.3	23%	0.226	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-46	179.6	-164.4	-166.8	66.5	67.5	5.4	111.7	Y35 L57 S360 E361 A362 N368 E370	Y35-R364 WeakPolarHBondContact OH-CG 3.38Å; L57-R364 HydrophobicContact CD2-CB 4.12Å; S360-R364 WeakPolarHBondContact O-CB 3.42Å; S360-R364 PolarHBondContact O-N 3.44Å; E361-R364 PolarHBondContact O-N 2.83Å; E361-R364 IonicContact OE1-CZ 3.53Å; E361-R364 IonicContact OE1-NE 2.73Å; E361-R364 IonicContact OE1-NH2 2.84Å; E361-R364 PolarHBondContact OE1-NH2 2.97Å; E361-R364 IonicContact OE2-CZ 3.34Å; E361-R364 IonicContact OE2-NE 2.69Å; E361-R364 PolarHBondContact OE2-NE 3.46Å; E361-R364 IonicContact OE2-NH2 3.69Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 2.78Å; R364-N368 PolarHBondContact NH1-ND2 3.06Å; R364-N368 WeakPolarHBondContact O-CB 3.5Å; R364-N368 PolarHBondContact O-N 2.69Å; R364-N368 VanDerWaalsContact O-N 3.12Å; R364-E370 IonicContact CZ-OE1 2.73Å; R364-E370 IonicContact CZ-OE2 3.73Å; R364-E370 VanDerWaalsContact NH1-CD 3.29Å; R364-E370 IonicContact NH1-OE1 2.95Å; R364-E370 PolarHBondContact NH1-OE1 2.77Å; R364-E370 IonicContact NH1-OE2 3.08Å; R364-E370 PolarHBondContact NH1-OE2 3.19Å; R364-E370 VanDerWaalsContact NH1-OE2 3.11Å; R364-E370 IonicContact NH2-OE1 3.73Å; R364-E370 IonicContact NH2-OE2 3.81Å; R364-E370 PolarHBondContact NH2-OE2 3.33Å
365	R	94.9	Very high	92.6	Very high	33 Å²	33	41.5 Å²	41.5	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-47.3	-179.2	-75.2	176.7	-178.1	-78.1	-18.2	112.5	E361 A362 I363 H367 N368 G369 E370 S371 M372	E361-R365 WeakPolarHBondContact O-CB 3.4Å; E361-R365 VanDerWaalsContact O-CG 3.3Å; E361-R365 WeakPolarHBondContact O-CG 3.2Å; E361-R365 PolarHBondContact O-N 3.32Å; E361-R365 IonicContact OE1-CZ 2.78Å; E361-R365 IonicContact OE1-NE 3.71Å; E361-R365 PolarHBondContact OE1-NE 3.34Å; E361-R365 IonicContact OE1-NH2 3.85Å; E361-R365 PolarHBondContact OE1-NH2 3.26Å; A362-R365 PolarHBondContact O-N 2.95Å; I363-R365 VanDerWaalsContact C-N 3.34Å; I363-R365 PolarHBondContact O-N 2.83Å; R365-H367 VanDerWaalsContact C-N 3.33Å; R365-H367 PolarHBondContact O-N 2.85Å; R365-N368 CarbonylContact O-C 3.59Å; R365-N368 PolarHBondContact O-N 2.68Å; R365-G369 PolarHBondContact O-N 2.85Å; R365-E370 HydrophobicContact CB-CB 4.07Å; R365-E370 HydrophobicContact CG-CB 4.03Å; R365-E370 PolarHBondContact O-N 2.96Å; R365-S371 WeakPolarHBondContact CD-O 3.45Å; R365-S371 PolarHBondContact NH1-O 2.98Å; R365-M372 HydrophobicContact CB-SD 3.66Å; R365-M372 HydrophobicContact CG-SD 4.38Å
366	I	94.5	Very high	91.5	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-44.5	178.5	-67.5	174.4	0	0	0	110.6	F88 I158 D176 A362 I363 N368 G369 M372	F88-I366 HydrophobicContact CE1-CB 4.44Å; F88-I366 HydrophobicContact CE1-CG2 4.22Å; F88-I366 HydrophobicContact CZ-CG2 4.3Å; I158-I366 HydrophobicContact CD1-CD1 3.4Å; I158-I366 VanDerWaalsContact CD1-CD1 3.4Å; I158-I366 HydrophobicContact CG1-CD1 3.58Å; D176-I366 VanDerWaalsContact OD2-CD1 3.26Å; D176-I366 WeakPolarHBondContact OD2-CD1 3.25Å; A362-I366 WeakPolarHBondContact O-CG1 3.47Å; A362-I366 PolarHBondContact O-N 3.43Å; I363-I366 PolarHBondContact O-N 3.4Å; I366-N368 VanDerWaalsContact C-N 3.31Å; I366-N368 PolarHBondContact O-N 2.72Å; I366-G369 PolarHBondContact O-N 2.68Å; I366-M372 HydrophobicContact CG1-SD 4.35Å
367	H	94	Very high	89.9	Confident	60 Å²	60	53.2 Å²	53.2	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-39.1	177.8	-175.8	74.5	0	0	0	112.8	Y35 F88 I363 R365	Y35-H367 HydrophobicContact CD1-CB 4.1Å; Y35-H367 AromaticContact CD1-CD2 3.77Å; Y35-H367 AromaticContact CD1-CG 3.75Å; Y35-H367 HydrophobicContact CE1-CB 3.66Å; Y35-H367 AromaticContact CE1-CD2 3.29Å; Y35-H367 WeakPolarHBondContact CE1-CD2 3.35Å; Y35-H367 AromaticContact CE1-CG 3.5Å; Y35-H367 VanDerWaalsContact CE1-CG 3.5Å; F88-H367 HydrophobicContact CE2-CB 4.29Å; F88-H367 HydrophobicContact CZ-CB 4.14Å; I363-H367 WeakPolarHBondContact O-CB 3.48Å; I363-H367 PolarHBondContact O-N 3.27Å; R365-H367 VanDerWaalsContact C-N 3.33Å; R365-H367 PolarHBondContact O-N 2.85Å
368	N	93.4	Very high	88.2	Confident	79 Å²	79	55.7 Å²	55.7	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-87.7	-2.5	-178.7	-68.3	-11.2	0	0	0	114.1	R364 R365 I366 E370	R364-N368 PolarHBondContact NH1-ND2 3.06Å; R364-N368 WeakPolarHBondContact O-CB 3.5Å; R364-N368 PolarHBondContact O-N 2.69Å; R364-N368 VanDerWaalsContact O-N 3.12Å; R365-N368 CarbonylContact O-C 3.59Å; R365-N368 PolarHBondContact O-N 2.68Å; I366-N368 VanDerWaalsContact C-N 3.31Å; I366-N368 PolarHBondContact O-N 2.72Å; N368-E370 VanDerWaalsContact C-N 3.25Å; N368-E370 HydrophobicContact CB-CG 3.83Å; N368-E370 WeakPolarHBondContact CB-OE1 3.41Å; N368-E370 PolarHBondContact ND2-OE1 3.05Å; N368-E370 PolarHBondContact O-N 2.7Å
369	G	91.8	Very high	86.6	Confident	71 Å²	71	56.8 Å²	56.8	73%	0.732	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	24.6	-172.9	0	0	0	0	0	114	R365 I366	R365-G369 PolarHBondContact O-N 2.85Å; I366-G369 PolarHBondContact O-N 2.68Å
370	E	92.4	Very high	84.9	Confident	71 Å²	71	58.7 Å²	58.7	33%	0.332	31%	0.307	S	S	.	.			trans	-82.5	153	179	-66.5	171.7	-147	0	0	111.7	R364 R365 N368 M372	R364-E370 IonicContact CZ-OE1 2.73Å; R364-E370 IonicContact CZ-OE2 3.73Å; R364-E370 VanDerWaalsContact NH1-CD 3.29Å; R364-E370 IonicContact NH1-OE1 2.95Å; R364-E370 PolarHBondContact NH1-OE1 2.77Å; R364-E370 IonicContact NH1-OE2 3.08Å; R364-E370 PolarHBondContact NH1-OE2 3.19Å; R364-E370 VanDerWaalsContact NH1-OE2 3.11Å; R364-E370 IonicContact NH2-OE1 3.73Å; R364-E370 IonicContact NH2-OE2 3.81Å; R364-E370 PolarHBondContact NH2-OE2 3.33Å; R365-E370 HydrophobicContact CB-CB 4.07Å; R365-E370 HydrophobicContact CG-CB 4.03Å; R365-E370 PolarHBondContact O-N 2.96Å; N368-E370 VanDerWaalsContact C-N 3.25Å; N368-E370 HydrophobicContact CB-CG 3.83Å; N368-E370 WeakPolarHBondContact CB-OE1 3.41Å; N368-E370 PolarHBondContact ND2-OE1 3.05Å; N368-E370 PolarHBondContact O-N 2.7Å; E370-M372 PolarHBondContact O-N 2.75Å
371	S	90.9	Very high	83.1	Confident	80 Å²	80	64 Å²	64	56%	0.559	34%	0.339	S	S	*	.			trans	-65.3	133.6	177.7	-177.8	0	0	0	0	112.3	R365 A373	R365-S371 WeakPolarHBondContact CD-O 3.45Å; R365-S371 PolarHBondContact NH1-O 2.98Å; S371-A373 VanDerWaalsContact C-N 3.28Å; S371-A373 PolarHBondContact O-N 3.34Å; S371-A373 WeakPolarHBondContact OG-CB 3.43Å; S371-A373 PolarHBondContact OG-N 2.72Å
372	M	89.6	Confident	81.1	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.108	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.8	172	-68.9	-65.6	-82	0	0	113.4	D176 L178 A362 R365 I366 E370 Y374 L375 F376	D176-M372 HydrophobicContact CB-CE 4.14Å; L178-M372 HydrophobicContact CD2-CE 3.74Å; A362-M372 HydrophobicContact CB-CE 3.64Å; A362-M372 HydrophobicContact CB-SD 4.48Å; R365-M372 HydrophobicContact CB-SD 3.66Å; R365-M372 HydrophobicContact CG-SD 4.38Å; I366-M372 HydrophobicContact CG1-SD 4.35Å; E370-M372 PolarHBondContact O-N 2.75Å; M372-Y374 PolarHBondContact O-N 2.89Å; M372-L375 HydrophobicContact CE-CD1 3.64Å; M372-L375 WeakPolarHBondContact O-CB 3.31Å; M372-L375 PolarHBondContact O-N 3.2Å; M372-L375 HydrophobicContact SD-CD1 3.97Å; M372-F376 HydrophobicContact CB-CE2 4.14Å; M372-F376 VanDerWaalsContact O-CD2 3.3Å; M372-F376 WeakPolarHBondContact O-CD2 3.39Å
373	A	82	Confident	79.3	Confident	52 Å²	52	66 Å²	66	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-55.9	-30.4	-173.2	0	0	0	0	0	113.6	S371 L375 F376 R377	S371-A373 VanDerWaalsContact C-N 3.28Å; S371-A373 PolarHBondContact O-N 3.34Å; S371-A373 WeakPolarHBondContact OG-CB 3.43Å; S371-A373 PolarHBondContact OG-N 2.72Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 3.32Å; A373-F376 CarbonylContact O-C 3.52Å; A373-F376 PolarHBondContact O-N 2.9Å; A373-R377 WeakPolarHBondContact O-CG 3.3Å; A373-R377 PolarHBondContact O-N 3.14Å; A373-R377 VanDerWaalsContact O-N 3.16Å
374	Y	77.1	Confident	78.4	Confident	125 Å²	125	69.3 Å²	69.3	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-35.3	177.9	-168.8	-94.6	0	0	0	112.8	M372 F376	M372-Y374 PolarHBondContact O-N 2.89Å; Y374-F376 PolarHBondContact O-N 3.45Å
375	L	81.9	Confident	77.5	Confident	27 Å²	27	69.7 Å²	69.7	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-69.6	-14.9	176.5	-60.8	-178.5	0	0	0	112.3	L178 I358 E361 A362 M372 A373 I379	L178-L375 HydrophobicContact CD2-CD1 4.08Å; I358-L375 HydrophobicContact CG1-CD2 4.27Å; E361-L375 HydrophobicContact CB-CD2 4.43Å; E361-L375 HydrophobicContact CG-CD2 3.84Å; A362-L375 HydrophobicContact CB-CD1 4.1Å; M372-L375 HydrophobicContact CE-CD1 3.64Å; M372-L375 WeakPolarHBondContact O-CB 3.31Å; M372-L375 PolarHBondContact O-N 3.2Å; M372-L375 HydrophobicContact SD-CD1 3.97Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 3.32Å; L375-I379 WeakPolarHBondContact O-CD1 3.37Å
376	F	75.1	Confident	76.5	Confident	64 Å²	64	71.8 Å²	71.8	28%	0.281	39%	0.39	S	S	.	.	H	α-helix	trans	-110.4	-2.6	-177.6	-60.7	-75	0	0	0	115.2	N177 L178 M372 A373 Y374 N378 I379	N177-F376 VanDerWaalsContact O-CE1 3.27Å; N177-F376 WeakPolarHBondContact O-CE1 2.96Å; L178-F376 HydrophobicContact CD2-CZ 4.07Å; M372-F376 HydrophobicContact CB-CE2 4.14Å; M372-F376 VanDerWaalsContact O-CD2 3.3Å; M372-F376 WeakPolarHBondContact O-CD2 3.39Å; A373-F376 CarbonylContact O-C 3.52Å; A373-F376 PolarHBondContact O-N 2.9Å; Y374-F376 PolarHBondContact O-N 3.45Å; F376-N378 VanDerWaalsContact C-N 3.25Å; F376-N378 PolarHBondContact O-N 3.02Å; F376-N378 VanDerWaalsContact O-N 3.11Å; F376-I379 HydrophobicContact CD1-CD1 3.96Å; F376-I379 PolarHBondContact O-N 2.94Å
377	R	62.5	Low	75.5	Confident	183 Å²	183	73.7 Å²	73.7	69%	0.691	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.9	-170.9	-82.8	-179.5	-179.6	-175.2	-0.9	115.3	A373	A373-R377 WeakPolarHBondContact O-CG 3.3Å; A373-R377 PolarHBondContact O-N 3.14Å; A373-R377 VanDerWaalsContact O-N 3.16Å
378	N	58.7	Low	74.3	Confident	140 Å²	140	74.6 Å²	74.6	75%	0.749	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	24.7	-177.2	-64.2	-19.2	0	0	0	112.6	F376	F376-N378 VanDerWaalsContact C-N 3.25Å; F376-N378 PolarHBondContact O-N 3.02Å; F376-N378 VanDerWaalsContact O-N 3.11Å
379	I	62.4	Low	73.1	Confident	32 Å²	32	74.3 Å²	74.3	16%	0.164	41%	0.408	C	S	.	.			trans	-112.8	130.1	-174.4	-59.8	-174.8	0	0	0	108.7	R179 P182 L375 F376 D383	R179-I379 HydrophobicContact CB-CD1 3.63Å; R179-I379 HydrophobicContact CB-CG2 4.46Å; R179-I379 HydrophobicContact CG-CD1 3.56Å; R179-I379 HydrophobicContact CG-CG1 4.42Å; R179-I379 HydrophobicContact CG-CG2 3.59Å; P182-I379 HydrophobicContact CG-CD1 4.27Å; P182-I379 HydrophobicContact CG-CG1 4.24Å; L375-I379 WeakPolarHBondContact O-CD1 3.37Å; F376-I379 HydrophobicContact CD1-CD1 3.96Å; F376-I379 PolarHBondContact O-N 2.94Å; I379-D383 HydrophobicContact CG2-CB 4.05Å
380	T	60.2	Low	71.7	Confident	40 Å²	40	74.5 Å²	74.5	25%	0.245	38%	0.384	C	S	.	.			trans	-81.4	156.3	177.3	60.9	0	0	0	0	111.1	S213 D382 D383	S213-T380 WeakPolarHBondContact CB-OG1 3.42Å; S213-T380 PolarHBondContact OG-OG1 3.25Å; T380-D382 PolarHBondContact O-N 3.03Å; T380-D382 VanDerWaalsContact O-N 3.14Å; T380-D383 PolarHBondContact O-N 2.93Å; T380-D383 PolarHBondContact OG1-N 3.32Å
381	V	58.8	Low	70.1	Confident	120 Å²	120	74.8 Å²	74.8	73%	0.727	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.6	178	-179.6	0	0	0	0	113	K165	K165-V381 PolarHBondContact NZ-O 2.72Å
382	D	54.9	Low	68.4	Low	71 Å²	71	74.3 Å²	74.3	38%	0.38	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	7.1	-175.3	-62.2	-51.4	0	0	0	114.7	K165 K209 T380	K165-D382 IonicContact NZ-OD1 2.89Å; K209-D382 HydrophobicContact CB-CB 4.48Å; T380-D382 PolarHBondContact O-N 3.03Å; T380-D382 VanDerWaalsContact O-N 3.14Å
383	D	57.7	Low	66.5	Low	16 Å²	16	79.1 Å²	79.1	9%	0.086	40%	0.398	C	S	.	.			trans	-61.2	0	167.4	-108.5	-23.3	0	0	0	112.7	R179 S181 S213 R217 I379 T380	R179-D383 PolarHBondContact NH1-O 3.31Å; R179-D383 PolarHBondContact NH1-OXT 3.13Å; R179-D383 PolarHBondContact NH2-O 3.47Å; S181-D383 WeakPolarHBondContact CB-OD2 3.25Å; S181-D383 PolarHBondContact OG-OD2 3.09Å; S213-D383 PolarHBondContact OG-OD1 3.33Å; R217-D383 IonicContact CZ-OD1 2.82Å; R217-D383 IonicContact CZ-OD2 3.5Å; R217-D383 IonicContact NH1-OD1 3.77Å; R217-D383 IonicContact NH1-OD2 3.42Å; R217-D383 PolarHBondContact NH1-OD2 3.09Å; R217-D383 IonicContact NH2-OD1 3.58Å; R217-D383 PolarHBondContact NH2-OD1 3.39Å; R217-D383 IonicContact NH2-OD2 2.84Å; R217-D383 PolarHBondContact NH2-OD2 3.04Å; I379-D383 HydrophobicContact CG2-CB 4.05Å; T380-D383 PolarHBondContact O-N 2.93Å; T380-D383 PolarHBondContact OG1-N 3.32Å

Retrieved 383 of 383 residues in 800.6 ms (Link to these results)

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